smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000507459704 945249161 /nfs/dbraw/zinc/24/91/61/945249161.db2.gz GUIRTORZJWAVHS-FCJDFRRUSA-N 2 3 357.586 3.997 20 0 FHADHP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)cc1 ZINC000423293907 943475232 /nfs/dbraw/zinc/47/52/32/943475232.db2.gz SMCQBKWONVNEKL-OALUTQOASA-N 2 3 351.538 3.892 20 0 FHADHP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCCN2CCCCC2)CC3)cc1 ZINC000444613466 947039302 /nfs/dbraw/zinc/03/93/02/947039302.db2.gz KGXAYBPNYNIEJJ-UHFFFAOYSA-N 2 3 355.570 3.851 20 0 FHADHP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](CCCN2CCCCC2)CC3)cc1 ZINC000444613466 947039293 /nfs/dbraw/zinc/03/92/93/947039293.db2.gz KGXAYBPNYNIEJJ-UHFFFAOYSA-N 2 3 355.570 3.851 20 0 FHADHP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000422811771 943291906 /nfs/dbraw/zinc/29/19/06/943291906.db2.gz WRYLXIWZCMLQKT-SFHVURJKSA-N 2 3 366.553 3.931 20 0 FHADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423002977 943362227 /nfs/dbraw/zinc/36/22/27/943362227.db2.gz KKHCOBBPOPUBFI-LQWHRVPQSA-N 2 3 366.553 3.800 20 0 FHADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423002977 943362228 /nfs/dbraw/zinc/36/22/28/943362228.db2.gz KKHCOBBPOPUBFI-LQWHRVPQSA-N 2 3 366.553 3.800 20 0 FHADHP CCCN1CCC([N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000092165660 933970614 /nfs/dbraw/zinc/97/06/14/933970614.db2.gz LHNNUTHFYNJALV-UHFFFAOYSA-N 2 3 372.601 3.523 20 0 FHADHP CCCN1CCC([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000092165660 933970618 /nfs/dbraw/zinc/97/06/18/933970618.db2.gz LHNNUTHFYNJALV-UHFFFAOYSA-N 2 3 372.601 3.523 20 0 FHADHP CCC[NH+]1CCN(c2ccccc2CNCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414812294 944105147 /nfs/dbraw/zinc/10/51/47/944105147.db2.gz QZJJJLWHSYLAHO-IBGZPJMESA-N 2 3 366.553 3.528 20 0 FHADHP C[C@H]1C[C@@H](NCc2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513469150 941945607 /nfs/dbraw/zinc/94/56/07/941945607.db2.gz NHEJLLSSWJAISG-CVDCTZTESA-N 2 3 351.538 3.891 20 0 FHADHP C[C@H]1C[C@@H](NCc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000513469150 941945610 /nfs/dbraw/zinc/94/56/10/941945610.db2.gz NHEJLLSSWJAISG-CVDCTZTESA-N 2 3 351.538 3.891 20 0 FHADHP c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCC4=CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423538023 943550921 /nfs/dbraw/zinc/55/09/21/943550921.db2.gz LVOFVCXVRUAQLU-RJGXRXQPSA-N 2 3 353.554 3.577 20 0 FHADHP C[C@H]1C[C@H](NCc2ccc(C[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000516975151 943876261 /nfs/dbraw/zinc/87/62/61/943876261.db2.gz OYADMLQKNDEKIC-WMZHIEFXSA-N 2 3 351.538 3.891 20 0 FHADHP C[C@H]1C[C@H](NCc2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000516975151 943876268 /nfs/dbraw/zinc/87/62/68/943876268.db2.gz OYADMLQKNDEKIC-WMZHIEFXSA-N 2 3 351.538 3.891 20 0 FHADHP C[C@@H]1C[C@@H](NCc2ccc(C[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000516975152 943876436 /nfs/dbraw/zinc/87/64/36/943876436.db2.gz OYADMLQKNDEKIC-XXBNENTESA-N 2 3 351.538 3.891 20 0 FHADHP C[C@@H]1C[C@@H](NCc2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000516975152 943876446 /nfs/dbraw/zinc/87/64/46/943876446.db2.gz OYADMLQKNDEKIC-XXBNENTESA-N 2 3 351.538 3.891 20 0 FHADHP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000564601853 930822739 /nfs/dbraw/zinc/82/27/39/930822739.db2.gz YOOFDTQALAHIKH-RJGXRXQPSA-N 2 3 355.570 3.609 20 0 FHADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423002976 943362040 /nfs/dbraw/zinc/36/20/40/943362040.db2.gz KKHCOBBPOPUBFI-BBTUJRGHSA-N 2 3 366.553 3.800 20 0 FHADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423002976 943362046 /nfs/dbraw/zinc/36/20/46/943362046.db2.gz KKHCOBBPOPUBFI-BBTUJRGHSA-N 2 3 366.553 3.800 20 0 FHADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423002978 943362096 /nfs/dbraw/zinc/36/20/96/943362096.db2.gz KKHCOBBPOPUBFI-LVCYWYKZSA-N 2 3 366.553 3.800 20 0 FHADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423002978 943362100 /nfs/dbraw/zinc/36/21/00/943362100.db2.gz KKHCOBBPOPUBFI-LVCYWYKZSA-N 2 3 366.553 3.800 20 0 FHADHP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)cc1 ZINC000423293908 943475324 /nfs/dbraw/zinc/47/53/24/943475324.db2.gz SMCQBKWONVNEKL-RBUKOAKNSA-N 2 3 351.538 3.892 20 0 FHADHP c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@H]5C4)[C@@H]3C2)cc1 ZINC000423540991 943551768 /nfs/dbraw/zinc/55/17/68/943551768.db2.gz KIPNJGPAXQTHOE-DLFLOYDBSA-N 2 3 367.581 3.655 20 0 FHADHP c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@H]5C4)[C@H]3C2)cc1 ZINC000423540993 943551916 /nfs/dbraw/zinc/55/19/16/943551916.db2.gz KIPNJGPAXQTHOE-ISGSKPSGSA-N 2 3 367.581 3.655 20 0 FHADHP Clc1ccccc1CN1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166533766 938434621 /nfs/dbraw/zinc/43/46/21/938434621.db2.gz WZRMELNWBRKLCM-WOJBJXKFSA-N 2 3 361.961 3.768 20 0 FHADHP Clc1ccccc1CN1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166533766 938434624 /nfs/dbraw/zinc/43/46/24/938434624.db2.gz WZRMELNWBRKLCM-WOJBJXKFSA-N 2 3 361.961 3.768 20 0 FHADHP [NH3+]CCC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000423526662 943547464 /nfs/dbraw/zinc/54/74/64/943547464.db2.gz ZVXILLRNSIUVPK-JLLPCOHGSA-N 2 3 363.549 3.967 20 0 FHADHP C[C@H]1C[C@H](NCc2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513469151 941945895 /nfs/dbraw/zinc/94/58/95/941945895.db2.gz NHEJLLSSWJAISG-WMZHIEFXSA-N 2 3 351.538 3.891 20 0 FHADHP C[C@H]1C[C@H](NCc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000513469151 941945897 /nfs/dbraw/zinc/94/58/97/941945897.db2.gz NHEJLLSSWJAISG-WMZHIEFXSA-N 2 3 351.538 3.891 20 0 FHADHP [NH3+][C@H]1CC[C@H](N(Cc2ccncc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167978652 944444715 /nfs/dbraw/zinc/44/47/15/944444715.db2.gz QGLURVBIWIVETN-LEKVTHMOSA-N 2 3 368.569 3.559 20 0 FHADHP [NH3+][C@H]1CC[C@H](N(Cc2ccncc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167978652 944444721 /nfs/dbraw/zinc/44/47/21/944444721.db2.gz QGLURVBIWIVETN-LEKVTHMOSA-N 2 3 368.569 3.559 20 0 FHADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167978652 944444725 /nfs/dbraw/zinc/44/47/25/944444725.db2.gz QGLURVBIWIVETN-LEKVTHMOSA-N 2 3 368.569 3.559 20 0 FHADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167978652 944444730 /nfs/dbraw/zinc/44/47/30/944444730.db2.gz QGLURVBIWIVETN-LEKVTHMOSA-N 2 3 368.569 3.559 20 0 FHADHP C[C@@H]1C[C@H](NCc2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513469149 941945684 /nfs/dbraw/zinc/94/56/84/941945684.db2.gz NHEJLLSSWJAISG-AUSIDOKSSA-N 2 3 351.538 3.891 20 0 FHADHP C[C@@H]1C[C@H](NCc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000513469149 941945689 /nfs/dbraw/zinc/94/56/89/941945689.db2.gz NHEJLLSSWJAISG-AUSIDOKSSA-N 2 3 351.538 3.891 20 0 FHADHP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422778069 943279103 /nfs/dbraw/zinc/27/91/03/943279103.db2.gz AAQRWLYCDHTELE-KRWDZBQOSA-N 2 3 352.526 3.685 20 0 FHADHP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000422862617 943309685 /nfs/dbraw/zinc/30/96/85/943309685.db2.gz NTTQKZGJAUXNJZ-ROUUACIJSA-N 2 3 366.553 3.931 20 0 FHADHP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000422862617 943309686 /nfs/dbraw/zinc/30/96/86/943309686.db2.gz NTTQKZGJAUXNJZ-ROUUACIJSA-N 2 3 366.553 3.931 20 0 FHADHP C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423293906 943475390 /nfs/dbraw/zinc/47/53/90/943475390.db2.gz SMCQBKWONVNEKL-MOPGFXCFSA-N 2 3 351.538 3.892 20 0 FHADHP C[C@@H]([NH3+])c1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000414812057 944103309 /nfs/dbraw/zinc/10/33/09/944103309.db2.gz QRXZIJXDUXSIRP-GOSISDBHSA-N 2 3 366.553 3.527 20 0 FHADHP CCCN1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000119615263 928689320 /nfs/dbraw/zinc/68/93/20/928689320.db2.gz NXSMNHFMENIGTC-AKIFATBCSA-N 2 3 355.570 3.751 20 0 FHADHP CCCN1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000119615263 928689322 /nfs/dbraw/zinc/68/93/22/928689322.db2.gz NXSMNHFMENIGTC-AKIFATBCSA-N 2 3 355.570 3.751 20 0 FHADHP C[C@@H]1C[C@@H](NCc2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513469152 941945847 /nfs/dbraw/zinc/94/58/47/941945847.db2.gz NHEJLLSSWJAISG-XXBNENTESA-N 2 3 351.538 3.891 20 0 FHADHP C[C@@H]1C[C@@H](NCc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000513469152 941945848 /nfs/dbraw/zinc/94/58/48/941945848.db2.gz NHEJLLSSWJAISG-XXBNENTESA-N 2 3 351.538 3.891 20 0 FHADHP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000564601854 930822687 /nfs/dbraw/zinc/82/26/87/930822687.db2.gz YOOFDTQALAHIKH-XPWALMASSA-N 2 3 355.570 3.609 20 0 FHADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CNC[C@H]2c2ccccc2)CC1 ZINC000423535317 943550305 /nfs/dbraw/zinc/55/03/05/943550305.db2.gz XLKLIXJOAATFOH-STTLMXHVSA-N 2 3 363.549 3.775 20 0 FHADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CNC[C@H]2c2ccccc2)CC1 ZINC000423535317 943550312 /nfs/dbraw/zinc/55/03/12/943550312.db2.gz XLKLIXJOAATFOH-STTLMXHVSA-N 2 3 363.549 3.775 20 0 FHADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423002979 943362469 /nfs/dbraw/zinc/36/24/69/943362469.db2.gz KKHCOBBPOPUBFI-WFXMLNOXSA-N 2 3 366.553 3.800 20 0 FHADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423002979 943362474 /nfs/dbraw/zinc/36/24/74/943362474.db2.gz KKHCOBBPOPUBFI-WFXMLNOXSA-N 2 3 366.553 3.800 20 0 FHADHP c1ccc(CN2C[C@H]3[C@@H](C2)CCCC[C@H]3[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423538024 943550839 /nfs/dbraw/zinc/55/08/39/943550839.db2.gz LVOFVCXVRUAQLU-XPWALMASSA-N 2 3 353.554 3.577 20 0 FHADHP Clc1ccccc1CN1CCC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166533878 938439085 /nfs/dbraw/zinc/43/90/85/938439085.db2.gz WZRMELNWBRKLCM-VQTJNVASSA-N 2 3 361.961 3.768 20 0 FHADHP Clc1ccccc1CN1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166533878 938439087 /nfs/dbraw/zinc/43/90/87/938439087.db2.gz WZRMELNWBRKLCM-VQTJNVASSA-N 2 3 361.961 3.768 20 0 FHADHP c1ccc(CN2C[C@H]3CCCC[C@@H]([NH2+]CCC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423538022 943551103 /nfs/dbraw/zinc/55/11/03/943551103.db2.gz LVOFVCXVRUAQLU-DNVJHFABSA-N 2 3 353.554 3.577 20 0 FHADHP C[C@H]([NH3+])c1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000414812059 944103247 /nfs/dbraw/zinc/10/32/47/944103247.db2.gz QRXZIJXDUXSIRP-SFHVURJKSA-N 2 3 366.553 3.527 20 0 FHADHP c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@@H]5C4)[C@H]3C2)cc1 ZINC000423540992 943551652 /nfs/dbraw/zinc/55/16/52/943551652.db2.gz KIPNJGPAXQTHOE-IPJQNIFZSA-N 2 3 367.581 3.655 20 0 FHADHP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000422862616 943309435 /nfs/dbraw/zinc/30/94/35/943309435.db2.gz NTTQKZGJAUXNJZ-QZTJIDSGSA-N 2 3 366.553 3.931 20 0 FHADHP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000422862616 943309440 /nfs/dbraw/zinc/30/94/40/943309440.db2.gz NTTQKZGJAUXNJZ-QZTJIDSGSA-N 2 3 366.553 3.931 20 0 FHADHP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)cc1 ZINC000423293909 943475112 /nfs/dbraw/zinc/47/51/12/943475112.db2.gz SMCQBKWONVNEKL-RTBURBONSA-N 2 3 351.538 3.892 20 0 FHADHP [NH3+]CCC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000423526670 943547270 /nfs/dbraw/zinc/54/72/70/943547270.db2.gz ZVXILLRNSIUVPK-NAVOZUGXSA-N 2 3 363.549 3.967 20 0 FHADHP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000422862615 943309236 /nfs/dbraw/zinc/30/92/36/943309236.db2.gz NTTQKZGJAUXNJZ-MSOLQXFVSA-N 2 3 366.553 3.931 20 0 FHADHP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000422862615 943309252 /nfs/dbraw/zinc/30/92/52/943309252.db2.gz NTTQKZGJAUXNJZ-MSOLQXFVSA-N 2 3 366.553 3.931 20 0 FHADHP CCC[NH+]1CCN(c2ccccc2CNCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414812297 944104984 /nfs/dbraw/zinc/10/49/84/944104984.db2.gz QZJJJLWHSYLAHO-LJQANCHMSA-N 2 3 366.553 3.528 20 0 FHADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CC[NH+](C[C@@H]2CCCO2)C[C@H]1C ZINC000154870063 937262006 /nfs/dbraw/zinc/26/20/06/937262006.db2.gz ASOXAXQZHZIJEU-OIBXWCBGSA-N 2 3 373.585 3.506 20 0 FHADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CC[NH+](C[C@@H]2CCCO2)C[C@H]1C ZINC000154870063 937262009 /nfs/dbraw/zinc/26/20/09/937262009.db2.gz ASOXAXQZHZIJEU-OIBXWCBGSA-N 2 3 373.585 3.506 20 0 FHADHP CC(C)[NH+](C)Cc1ccccc1CN[C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000154870063 937262010 /nfs/dbraw/zinc/26/20/10/937262010.db2.gz ASOXAXQZHZIJEU-OIBXWCBGSA-N 2 3 373.585 3.506 20 0 FHADHP CC(C)[NH+](C)Cc1ccccc1CN[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000154870063 937262013 /nfs/dbraw/zinc/26/20/13/937262013.db2.gz ASOXAXQZHZIJEU-OIBXWCBGSA-N 2 3 373.585 3.506 20 0 FHADHP c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423538025 943551174 /nfs/dbraw/zinc/55/11/74/943551174.db2.gz LVOFVCXVRUAQLU-YTFSRNRJSA-N 2 3 353.554 3.577 20 0 FHADHP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000422811770 943291543 /nfs/dbraw/zinc/29/15/43/943291543.db2.gz WRYLXIWZCMLQKT-GOSISDBHSA-N 2 3 366.553 3.931 20 0 FHADHP [NH3+]CCC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000423526673 943547174 /nfs/dbraw/zinc/54/71/74/943547174.db2.gz ZVXILLRNSIUVPK-NEWJYFPISA-N 2 3 363.549 3.967 20 0 FHADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000507459707 945249387 /nfs/dbraw/zinc/24/93/87/945249387.db2.gz GUIRTORZJWAVHS-XXTHSBEZSA-N 2 3 357.586 3.997 20 0 FHADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000507459705 945249684 /nfs/dbraw/zinc/24/96/84/945249684.db2.gz GUIRTORZJWAVHS-KZKAQZJJSA-N 2 3 357.586 3.997 20 0 FHADHP [NH3+]CCC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000423526675 943547373 /nfs/dbraw/zinc/54/73/73/943547373.db2.gz ZVXILLRNSIUVPK-UARRHKHWSA-N 2 3 363.549 3.967 20 0 FHADHP C[C@@H]1C[C@H](NCc2ccc(C[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000516975148 943876170 /nfs/dbraw/zinc/87/61/70/943876170.db2.gz OYADMLQKNDEKIC-AUSIDOKSSA-N 2 3 351.538 3.891 20 0 FHADHP C[C@@H]1C[C@H](NCc2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000516975148 943876176 /nfs/dbraw/zinc/87/61/76/943876176.db2.gz OYADMLQKNDEKIC-AUSIDOKSSA-N 2 3 351.538 3.891 20 0 FHADHP C[C@H]1C[C@@H](NCc2ccc(C[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000516975150 943875633 /nfs/dbraw/zinc/87/56/33/943875633.db2.gz OYADMLQKNDEKIC-CVDCTZTESA-N 2 3 351.538 3.891 20 0 FHADHP C[C@H]1C[C@@H](NCc2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000516975150 943875640 /nfs/dbraw/zinc/87/56/40/943875640.db2.gz OYADMLQKNDEKIC-CVDCTZTESA-N 2 3 351.538 3.891 20 0 FHADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000507459706 945249861 /nfs/dbraw/zinc/24/98/61/945249861.db2.gz GUIRTORZJWAVHS-MLDBQTBOSA-N 2 3 357.586 3.997 20 0 FHADHP C[NH2+]Cc1ccccc1C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000650756243 938412896 /nfs/dbraw/zinc/41/28/96/938412896.db2.gz XHUNTUNAVSZGLU-IBGZPJMESA-N 2 3 351.538 3.591 20 0 FHADHP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422778073 943278980 /nfs/dbraw/zinc/27/89/80/943278980.db2.gz AAQRWLYCDHTELE-QGZVFWFLSA-N 2 3 352.526 3.685 20 0 FHADHP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000422862618 943309407 /nfs/dbraw/zinc/30/94/07/943309407.db2.gz NTTQKZGJAUXNJZ-ZWKOTPCHSA-N 2 3 366.553 3.931 20 0 FHADHP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000422862618 943309412 /nfs/dbraw/zinc/30/94/12/943309412.db2.gz NTTQKZGJAUXNJZ-ZWKOTPCHSA-N 2 3 366.553 3.931 20 0 FHADHP CCCN1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000119614961 928690003 /nfs/dbraw/zinc/69/00/03/928690003.db2.gz NXSMNHFMENIGTC-ACIOBRDBSA-N 2 3 355.570 3.751 20 0 FHADHP CCCN1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000119614961 928690007 /nfs/dbraw/zinc/69/00/07/928690007.db2.gz NXSMNHFMENIGTC-ACIOBRDBSA-N 2 3 355.570 3.751 20 0 FHADHP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000564601855 930822381 /nfs/dbraw/zinc/82/23/81/930822381.db2.gz YOOFDTQALAHIKH-YTFSRNRJSA-N 2 3 355.570 3.609 20 0 FHADHP c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@@H]5C4)[C@@H]3C2)cc1 ZINC000423540990 943552061 /nfs/dbraw/zinc/55/20/61/943552061.db2.gz KIPNJGPAXQTHOE-DAMRUUDFSA-N 2 3 367.581 3.655 20 0 FHADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccn2)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167977446 944413186 /nfs/dbraw/zinc/41/31/86/944413186.db2.gz CIWBXRGYUOPLGT-GGRGVLTASA-N 2 3 368.569 3.559 20 0 FHADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167977446 944413188 /nfs/dbraw/zinc/41/31/88/944413188.db2.gz CIWBXRGYUOPLGT-GGRGVLTASA-N 2 3 368.569 3.559 20 0 FHADHP