smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093643910 1125469859 /nfs/dbraw/zinc/46/98/59/1125469859.db2.gz YQJCZQLHKSMIGJ-KUHUBIRLSA-N 2 2 360.933 4.057 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093643910 1125469864 /nfs/dbraw/zinc/46/98/64/1125469864.db2.gz YQJCZQLHKSMIGJ-KUHUBIRLSA-N 2 2 360.933 4.057 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643910 1125469869 /nfs/dbraw/zinc/46/98/69/1125469869.db2.gz YQJCZQLHKSMIGJ-KUHUBIRLSA-N 2 2 360.933 4.057 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643910 1125469874 /nfs/dbraw/zinc/46/98/74/1125469874.db2.gz YQJCZQLHKSMIGJ-KUHUBIRLSA-N 2 2 360.933 4.057 20 0 FIADLP Cc1cc2cc([C@@H](C)[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)oc2cc1C ZINC000765972535 1125511768 /nfs/dbraw/zinc/51/17/68/1125511768.db2.gz AIHKBVATPKJHDW-YLJYHZDGSA-N 2 2 356.510 4.344 20 0 FIADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000093769909 1125519594 /nfs/dbraw/zinc/51/95/94/1125519594.db2.gz NUISFBXBJLJSOR-HNNXBMFYSA-N 2 2 355.507 4.330 20 0 FIADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000093769909 1125519598 /nfs/dbraw/zinc/51/95/98/1125519598.db2.gz NUISFBXBJLJSOR-HNNXBMFYSA-N 2 2 355.507 4.330 20 0 FIADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000093769909 1125519602 /nfs/dbraw/zinc/51/96/02/1125519602.db2.gz NUISFBXBJLJSOR-HNNXBMFYSA-N 2 2 355.507 4.330 20 0 FIADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000093769909 1125519607 /nfs/dbraw/zinc/51/96/07/1125519607.db2.gz NUISFBXBJLJSOR-HNNXBMFYSA-N 2 2 355.507 4.330 20 0 FIADLP c1cn(CCCC2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)c[nH+]1 ZINC000543060783 1125578743 /nfs/dbraw/zinc/57/87/43/1125578743.db2.gz PLJGOVZLXXXIEF-UHFFFAOYSA-N 2 2 350.466 4.231 20 0 FIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@H](C)c1nc2ccccc2s1 ZINC000152780919 1125650721 /nfs/dbraw/zinc/65/07/21/1125650721.db2.gz GKXADKLDRMTPSD-GJZGRUSLSA-N 2 2 354.523 4.153 20 0 FIADLP Fc1ccc(Br)cc1[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000179991580 1080403525 /nfs/dbraw/zinc/40/35/25/1080403525.db2.gz ZTVRLKLZLLPBEI-GOSISDBHSA-N 2 2 374.257 4.164 20 0 FIADLP Cc1[nH]ncc1C[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000120941136 1081064579 /nfs/dbraw/zinc/06/45/79/1081064579.db2.gz AHPGYHPYSRUHTD-UHFFFAOYSA-N 2 2 360.505 4.271 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000655678746 1081113336 /nfs/dbraw/zinc/11/33/36/1081113336.db2.gz CEJOCFGWDHHXQV-MBSDFSHPSA-N 2 2 350.506 4.258 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Oc1ccccc1 ZINC000655704749 1081126543 /nfs/dbraw/zinc/12/65/43/1081126543.db2.gz JZYYWDVDTBKYGL-UYAOXDASSA-N 2 2 366.505 4.383 20 0 FIADLP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655715846 1081136001 /nfs/dbraw/zinc/13/60/01/1081136001.db2.gz ORNQNZNWXSKFCJ-UXHICEINSA-N 2 2 350.934 4.270 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)c2ccccc21 ZINC000655755246 1081176077 /nfs/dbraw/zinc/17/60/77/1081176077.db2.gz UVURSVMXCDDKMK-RDJZCZTQSA-N 2 2 358.913 4.397 20 0 FIADLP O[C@H](C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)c1cccs1 ZINC000175829580 1081370506 /nfs/dbraw/zinc/37/05/06/1081370506.db2.gz YPNNKWUHBFSKIF-RTBURBONSA-N 2 2 353.491 4.022 20 0 FIADLP O[C@H](C[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)c1cccs1 ZINC000175829580 1081370513 /nfs/dbraw/zinc/37/05/13/1081370513.db2.gz YPNNKWUHBFSKIF-RTBURBONSA-N 2 2 353.491 4.022 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000379658341 1081850215 /nfs/dbraw/zinc/85/02/15/1081850215.db2.gz WCCGAERKRPIPDF-VQIMIIECSA-N 2 2 368.912 4.130 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000379658341 1081850218 /nfs/dbraw/zinc/85/02/18/1081850218.db2.gz WCCGAERKRPIPDF-VQIMIIECSA-N 2 2 368.912 4.130 20 0 FIADLP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000048199031 1082240757 /nfs/dbraw/zinc/24/07/57/1082240757.db2.gz ABKHENWNLHWRAL-UHFFFAOYSA-N 2 2 360.461 4.111 20 0 FIADLP Fc1ccc([C@H](C[C@H]2CCCO2)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000581004717 1082275151 /nfs/dbraw/zinc/27/51/51/1082275151.db2.gz QFTHAOXQINTYRV-YADHBBJMSA-N 2 2 365.452 4.411 20 0 FIADLP COc1cccc2c(C[NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)cccc12 ZINC001648910749 1082331071 /nfs/dbraw/zinc/33/10/71/1082331071.db2.gz GOYDWPLGTICSMB-UHFFFAOYSA-N 2 2 361.420 4.463 20 0 FIADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000581278676 1082430635 /nfs/dbraw/zinc/43/06/35/1082430635.db2.gz WVYDVJQGVPGEBQ-PXAZEXFGSA-N 2 2 355.309 4.041 20 0 FIADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000581278676 1082430637 /nfs/dbraw/zinc/43/06/37/1082430637.db2.gz WVYDVJQGVPGEBQ-PXAZEXFGSA-N 2 2 355.309 4.041 20 0 FIADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000581278676 1082430640 /nfs/dbraw/zinc/43/06/40/1082430640.db2.gz WVYDVJQGVPGEBQ-PXAZEXFGSA-N 2 2 355.309 4.041 20 0 FIADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000581278676 1082430644 /nfs/dbraw/zinc/43/06/44/1082430644.db2.gz WVYDVJQGVPGEBQ-PXAZEXFGSA-N 2 2 355.309 4.041 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CS2 ZINC000581346263 1082479044 /nfs/dbraw/zinc/47/90/44/1082479044.db2.gz KJWUONVLFJONMT-MRXNPFEDSA-N 2 2 367.356 4.060 20 0 FIADLP Clc1cc(Cl)c2c(c1)C=C(C[N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CO2 ZINC000510534445 1083144048 /nfs/dbraw/zinc/14/40/48/1083144048.db2.gz PRFZQUIRXJKVNX-CYBMUJFWSA-N 2 2 364.276 4.372 20 0 FIADLP Clc1cc(Cl)c2c(c1)C=C(C[N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CO2 ZINC000510534445 1083144052 /nfs/dbraw/zinc/14/40/52/1083144052.db2.gz PRFZQUIRXJKVNX-CYBMUJFWSA-N 2 2 364.276 4.372 20 0 FIADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@H]2CCCF)CCOCC1)c1ccccc1 ZINC000510654485 1083222689 /nfs/dbraw/zinc/22/26/89/1083222689.db2.gz YGDCKZIGHNWKQC-SESVDKBCSA-N 2 2 362.533 4.394 20 0 FIADLP C[C@H](c1ccccc1F)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430923396 1083237951 /nfs/dbraw/zinc/23/79/51/1083237951.db2.gz DKQZXKQFIUWPSC-GOSISDBHSA-N 3 2 361.549 4.015 20 0 FIADLP C[C@H](c1ccccc1F)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430923396 1083237957 /nfs/dbraw/zinc/23/79/57/1083237957.db2.gz DKQZXKQFIUWPSC-GOSISDBHSA-N 3 2 361.549 4.015 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000658250158 1083373495 /nfs/dbraw/zinc/37/34/95/1083373495.db2.gz AXXDEZZYPUNSHB-PMXSJFBMSA-N 2 2 371.569 4.008 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000658250158 1083373506 /nfs/dbraw/zinc/37/35/06/1083373506.db2.gz AXXDEZZYPUNSHB-PMXSJFBMSA-N 2 2 371.569 4.008 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)c2Cl)[C@H](C)C1 ZINC001167684166 1083378574 /nfs/dbraw/zinc/37/85/74/1083378574.db2.gz CTUSFGBKGDSNHT-IUODEOHRSA-N 2 2 359.739 4.265 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)c2Cl)[C@H](C)C1 ZINC001167684166 1083378584 /nfs/dbraw/zinc/37/85/84/1083378584.db2.gz CTUSFGBKGDSNHT-IUODEOHRSA-N 2 2 359.739 4.265 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Br)c2Cl)[C@H](C)C1 ZINC001167684166 1083378597 /nfs/dbraw/zinc/37/85/97/1083378597.db2.gz CTUSFGBKGDSNHT-IUODEOHRSA-N 2 2 359.739 4.265 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Br)c2Cl)[C@H](C)C1 ZINC001167684166 1083378608 /nfs/dbraw/zinc/37/86/08/1083378608.db2.gz CTUSFGBKGDSNHT-IUODEOHRSA-N 2 2 359.739 4.265 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)c2Cl)[C@@H](C)C1 ZINC001167684168 1083378920 /nfs/dbraw/zinc/37/89/20/1083378920.db2.gz CTUSFGBKGDSNHT-WFASDCNBSA-N 2 2 359.739 4.265 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)c2Cl)[C@@H](C)C1 ZINC001167684168 1083378930 /nfs/dbraw/zinc/37/89/30/1083378930.db2.gz CTUSFGBKGDSNHT-WFASDCNBSA-N 2 2 359.739 4.265 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Br)c2Cl)[C@@H](C)C1 ZINC001167684168 1083378939 /nfs/dbraw/zinc/37/89/39/1083378939.db2.gz CTUSFGBKGDSNHT-WFASDCNBSA-N 2 2 359.739 4.265 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Br)c2Cl)[C@@H](C)C1 ZINC001167684168 1083378949 /nfs/dbraw/zinc/37/89/49/1083378949.db2.gz CTUSFGBKGDSNHT-WFASDCNBSA-N 2 2 359.739 4.265 20 0 FIADLP CCCCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000658291685 1083395480 /nfs/dbraw/zinc/39/54/80/1083395480.db2.gz DNHZVFAWCQENPT-NQIIRXRSSA-N 2 2 360.542 4.160 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cnc(-c4ccccn4)s3)C2)CC1 ZINC000092587869 1083445636 /nfs/dbraw/zinc/44/56/36/1083445636.db2.gz DNUDQSOFBNUJIP-SFHVURJKSA-N 2 2 370.566 4.149 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccn4)s3)C2)CC1 ZINC000092587869 1083445641 /nfs/dbraw/zinc/44/56/41/1083445641.db2.gz DNUDQSOFBNUJIP-SFHVURJKSA-N 2 2 370.566 4.149 20 0 FIADLP Cc1ncc([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C)n1 ZINC000510948127 1083531965 /nfs/dbraw/zinc/53/19/65/1083531965.db2.gz HWLVCYOJEHQVER-DYESRHJHSA-N 2 2 352.526 4.045 20 0 FIADLP Cc1ncc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C)n1 ZINC000510948127 1083531974 /nfs/dbraw/zinc/53/19/74/1083531974.db2.gz HWLVCYOJEHQVER-DYESRHJHSA-N 2 2 352.526 4.045 20 0 FIADLP CCOc1c(Cl)cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1OC ZINC000570067672 1083892415 /nfs/dbraw/zinc/89/24/15/1083892415.db2.gz XGLHOWGHJHISQK-INIZCTEOSA-N 2 2 354.922 4.054 20 0 FIADLP CCOc1c(Cl)cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1OC ZINC000570067672 1083892427 /nfs/dbraw/zinc/89/24/27/1083892427.db2.gz XGLHOWGHJHISQK-INIZCTEOSA-N 2 2 354.922 4.054 20 0 FIADLP CCOc1c(Cl)cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1OC ZINC000570067672 1083892440 /nfs/dbraw/zinc/89/24/40/1083892440.db2.gz XGLHOWGHJHISQK-INIZCTEOSA-N 2 2 354.922 4.054 20 0 FIADLP CCOc1c(Cl)cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1OC ZINC000570067672 1083892461 /nfs/dbraw/zinc/89/24/61/1083892461.db2.gz XGLHOWGHJHISQK-INIZCTEOSA-N 2 2 354.922 4.054 20 0 FIADLP CCn1nc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c2ccccc21 ZINC000472078267 1084257149 /nfs/dbraw/zinc/25/71/49/1084257149.db2.gz AEPIUCOHERJKAR-INIZCTEOSA-N 2 2 359.477 4.401 20 0 FIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2OC(F)(F)F)CC1 ZINC001143433030 1084461572 /nfs/dbraw/zinc/46/15/72/1084461572.db2.gz MPLDEOCCTUIKOD-UHFFFAOYSA-N 2 2 350.812 4.155 20 0 FIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2OC(F)(F)F)CC1 ZINC001143433030 1084461577 /nfs/dbraw/zinc/46/15/77/1084461577.db2.gz MPLDEOCCTUIKOD-UHFFFAOYSA-N 2 2 350.812 4.155 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cc2n(n1)CCC2 ZINC000414081390 1084477365 /nfs/dbraw/zinc/47/73/65/1084477365.db2.gz VFDDDQKEVZMLHQ-ZWKOTPCHSA-N 2 2 352.526 4.055 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cc2n(n1)CCC2 ZINC000414081390 1084477380 /nfs/dbraw/zinc/47/73/80/1084477380.db2.gz VFDDDQKEVZMLHQ-ZWKOTPCHSA-N 2 2 352.526 4.055 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c(C)c1 ZINC000414111815 1084587326 /nfs/dbraw/zinc/58/73/26/1084587326.db2.gz XKRPDIGNAJAJDQ-ZWKOTPCHSA-N 2 2 353.510 4.275 20 0 FIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2F)[C@H]1c1cccs1 ZINC000657375128 1084792102 /nfs/dbraw/zinc/79/21/02/1084792102.db2.gz VDUVATMZFUJGSS-UGSOOPFHSA-N 2 2 354.441 4.338 20 0 FIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2F)[C@H]1c1cccs1 ZINC000657375128 1084792110 /nfs/dbraw/zinc/79/21/10/1084792110.db2.gz VDUVATMZFUJGSS-UGSOOPFHSA-N 2 2 354.441 4.338 20 0 FIADLP Fc1ccc(OC(F)F)c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000657382036 1084819181 /nfs/dbraw/zinc/81/91/81/1084819181.db2.gz AAESPAMYDPJEPT-UHFFFAOYSA-N 2 2 356.432 4.314 20 0 FIADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)c2C1 ZINC000158274789 1084833453 /nfs/dbraw/zinc/83/34/53/1084833453.db2.gz ZPYLAIKIMCXRBX-UHFFFAOYSA-N 2 2 374.488 4.155 20 0 FIADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)c2C1 ZINC000158274789 1084833457 /nfs/dbraw/zinc/83/34/57/1084833457.db2.gz ZPYLAIKIMCXRBX-UHFFFAOYSA-N 2 2 374.488 4.155 20 0 FIADLP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1)C(C)C ZINC000110123226 1084903334 /nfs/dbraw/zinc/90/33/34/1084903334.db2.gz FVPTZJSQACNUHT-UHFFFAOYSA-N 2 2 362.477 4.355 20 0 FIADLP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1)C(C)C ZINC000110123226 1084903339 /nfs/dbraw/zinc/90/33/39/1084903339.db2.gz FVPTZJSQACNUHT-UHFFFAOYSA-N 2 2 362.477 4.355 20 0 FIADLP Cc1[nH]c(C[N@@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c(C)[nH+]1 ZINC001167575957 1085026685 /nfs/dbraw/zinc/02/66/85/1085026685.db2.gz JUTXRFHGKDUPET-CQSZACIVSA-N 2 2 354.281 4.377 20 0 FIADLP Cc1[nH]c(C[N@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c(C)[nH+]1 ZINC001167575957 1085026687 /nfs/dbraw/zinc/02/66/87/1085026687.db2.gz JUTXRFHGKDUPET-CQSZACIVSA-N 2 2 354.281 4.377 20 0 FIADLP Brc1ccc2c(NCc3ccn4cc[nH+]c4c3)cc[nH+]c2c1 ZINC000685911367 1085058061 /nfs/dbraw/zinc/05/80/61/1085058061.db2.gz PYDJKCDPAVIHCQ-UHFFFAOYSA-N 2 2 353.223 4.257 20 0 FIADLP COCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccco1 ZINC000582486958 1085063453 /nfs/dbraw/zinc/06/34/53/1085063453.db2.gz UOVFVNVFTKNFAY-PMACEKPBSA-N 2 2 354.494 4.144 20 0 FIADLP COCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccco1 ZINC000582486958 1085063459 /nfs/dbraw/zinc/06/34/59/1085063459.db2.gz UOVFVNVFTKNFAY-PMACEKPBSA-N 2 2 354.494 4.144 20 0 FIADLP Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc(OC(F)(F)F)c1 ZINC001143470720 1085069731 /nfs/dbraw/zinc/06/97/31/1085069731.db2.gz BRHHFOSDJXEQJP-MRXNPFEDSA-N 2 2 366.383 4.250 20 0 FIADLP Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc(OC(F)(F)F)c1 ZINC001143470720 1085069737 /nfs/dbraw/zinc/06/97/37/1085069737.db2.gz BRHHFOSDJXEQJP-MRXNPFEDSA-N 2 2 366.383 4.250 20 0 FIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000117950782 1085506764 /nfs/dbraw/zinc/50/67/64/1085506764.db2.gz JILYMFZGPHSKCA-LPHOPBHVSA-N 2 2 363.427 4.273 20 0 FIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000117950782 1085506777 /nfs/dbraw/zinc/50/67/77/1085506777.db2.gz JILYMFZGPHSKCA-LPHOPBHVSA-N 2 2 363.427 4.273 20 0 FIADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000472255088 1085663306 /nfs/dbraw/zinc/66/33/06/1085663306.db2.gz FVDBGUXQBQFDKV-IBGZPJMESA-N 2 2 365.587 4.124 20 0 FIADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000472255088 1085663313 /nfs/dbraw/zinc/66/33/13/1085663313.db2.gz FVDBGUXQBQFDKV-IBGZPJMESA-N 2 2 365.587 4.124 20 0 FIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2csc(Cl)c2Cl)[C@H](C)C1 ZINC000432245464 1085947157 /nfs/dbraw/zinc/94/71/57/1085947157.db2.gz JCLOTDCYOORAMG-TZMCWYRMSA-N 2 2 365.370 4.282 20 0 FIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2csc(Cl)c2Cl)[C@H](C)C1 ZINC000432245464 1085947161 /nfs/dbraw/zinc/94/71/61/1085947161.db2.gz JCLOTDCYOORAMG-TZMCWYRMSA-N 2 2 365.370 4.282 20 0 FIADLP C[C@@H](c1ccc(Oc2ccccc2)cc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662146813 1086206781 /nfs/dbraw/zinc/20/67/81/1086206781.db2.gz BEPZAPXMUMBUTR-RXVVDRJESA-N 2 2 366.505 4.071 20 0 FIADLP C[C@@H](c1ccc(Oc2ccccc2)cc1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662146813 1086206788 /nfs/dbraw/zinc/20/67/88/1086206788.db2.gz BEPZAPXMUMBUTR-RXVVDRJESA-N 2 2 366.505 4.071 20 0 FIADLP COc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc(C(F)(F)F)c1 ZINC001143524804 1086465745 /nfs/dbraw/zinc/46/57/45/1086465745.db2.gz LIIXXCNVHXGGQI-INIZCTEOSA-N 2 2 366.383 4.071 20 0 FIADLP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc(C(F)(F)F)c1 ZINC001143524804 1086465754 /nfs/dbraw/zinc/46/57/54/1086465754.db2.gz LIIXXCNVHXGGQI-INIZCTEOSA-N 2 2 366.383 4.071 20 0 FIADLP CC(C)C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001648931030 1086623188 /nfs/dbraw/zinc/62/31/88/1086623188.db2.gz QHXSLCYFDIWALM-IFMALSPDSA-N 2 2 374.569 4.092 20 0 FIADLP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000583459783 1086705403 /nfs/dbraw/zinc/70/54/03/1086705403.db2.gz USRCKDZXJXIWOP-IBGZPJMESA-N 2 2 366.509 4.089 20 0 FIADLP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000583459783 1086705408 /nfs/dbraw/zinc/70/54/08/1086705408.db2.gz USRCKDZXJXIWOP-IBGZPJMESA-N 2 2 366.509 4.089 20 0 FIADLP CC(C)Oc1cccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000236825496 1086708852 /nfs/dbraw/zinc/70/88/52/1086708852.db2.gz MOKKSCVAWKZFOF-UHFFFAOYSA-N 2 2 367.537 4.298 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cccc(COc3ccccc3)c2)s1 ZINC000512117815 1086786291 /nfs/dbraw/zinc/78/62/91/1086786291.db2.gz ZXCUMGFMUZYQFZ-UHFFFAOYSA-N 2 2 367.518 4.074 20 0 FIADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000318739414 1086904873 /nfs/dbraw/zinc/90/48/73/1086904873.db2.gz WADZPQVLGOMISE-WMLDXEAASA-N 2 2 364.331 4.281 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1OC(F)F ZINC000151328240 1087088819 /nfs/dbraw/zinc/08/88/19/1087088819.db2.gz MYSMVTUZOWECSS-OAHLLOKOSA-N 2 2 357.404 4.384 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cncc(Br)c1 ZINC000657817930 1087108759 /nfs/dbraw/zinc/10/87/59/1087108759.db2.gz URCVNNZLUFHFKS-OAHLLOKOSA-N 2 2 374.326 4.159 20 0 FIADLP CC(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc(F)cc(Br)c1 ZINC000657819948 1087124253 /nfs/dbraw/zinc/12/42/53/1087124253.db2.gz ZDNGJNWSNUPJBG-MRXNPFEDSA-N 2 2 354.267 4.162 20 0 FIADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)[nH]1 ZINC000080974636 1087290859 /nfs/dbraw/zinc/29/08/59/1087290859.db2.gz MSZDLTBYJNUCKN-SFHVURJKSA-N 2 2 357.461 4.104 20 0 FIADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)[nH]1 ZINC000080974636 1087290860 /nfs/dbraw/zinc/29/08/60/1087290860.db2.gz MSZDLTBYJNUCKN-SFHVURJKSA-N 2 2 357.461 4.104 20 0 FIADLP COc1ccccc1[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000089555000 1087396420 /nfs/dbraw/zinc/39/64/20/1087396420.db2.gz GOKQCVRFNFSVBV-DEOSSOPVSA-N 2 2 373.500 4.438 20 0 FIADLP CC(C)[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1cccnc1 ZINC000091344661 1087427731 /nfs/dbraw/zinc/42/77/31/1087427731.db2.gz LWMGSZLEALCEQM-DENIHFKCSA-N 2 2 367.537 4.268 20 0 FIADLP COC[C@H](CC1CCOCC1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000657886018 1087535086 /nfs/dbraw/zinc/53/50/86/1087535086.db2.gz CFTOOSFGWPKVKB-UGKGYDQZSA-N 2 2 374.569 4.071 20 0 FIADLP C[C@H](c1ccncc1)[N@@H+]1CCC[C@@]2(CCC[NH+]([C@@H](C)c3ccncc3)C2)C1 ZINC000685593159 1087635713 /nfs/dbraw/zinc/63/57/13/1087635713.db2.gz DEAUSTXPWYXBAA-ZRCGQRJVSA-N 2 2 364.537 4.477 20 0 FIADLP C[C@H](c1ccncc1)[N@H+]1CCC[C@@]2(CCC[NH+]([C@@H](C)c3ccncc3)C2)C1 ZINC000685593159 1087635716 /nfs/dbraw/zinc/63/57/16/1087635716.db2.gz DEAUSTXPWYXBAA-ZRCGQRJVSA-N 2 2 364.537 4.477 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC[C@@]2(CCC[N@@H+]([C@@H](C)c3ccncc3)C2)C1 ZINC000685593159 1087635718 /nfs/dbraw/zinc/63/57/18/1087635718.db2.gz DEAUSTXPWYXBAA-ZRCGQRJVSA-N 2 2 364.537 4.477 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC[C@@]2(CCC[N@H+]([C@@H](C)c3ccncc3)C2)C1 ZINC000685593159 1087635719 /nfs/dbraw/zinc/63/57/19/1087635719.db2.gz DEAUSTXPWYXBAA-ZRCGQRJVSA-N 2 2 364.537 4.477 20 0 FIADLP COCC[NH+]1CCC([NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000685657512 1087664636 /nfs/dbraw/zinc/66/46/36/1087664636.db2.gz GWQPNVAGFVUMAZ-SFHVURJKSA-N 2 2 357.325 4.145 20 0 FIADLP Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CCc4[nH+]c[nH]c4C2)CCC3)cc1 ZINC000685662128 1087667536 /nfs/dbraw/zinc/66/75/36/1087667536.db2.gz HIVWBWCSMYYGIU-HOCLYGCPSA-N 2 2 368.481 4.197 20 0 FIADLP Fc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CCc4[nH+]c[nH]c4C2)CCC3)cc1 ZINC000685662126 1087667543 /nfs/dbraw/zinc/66/75/43/1087667543.db2.gz HIVWBWCSMYYGIU-GDBMZVCRSA-N 2 2 368.481 4.197 20 0 FIADLP CC(C)C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Br)c1 ZINC000685662304 1087668336 /nfs/dbraw/zinc/66/83/36/1087668336.db2.gz MJOLTSNFNAOJHW-DOTOQJQBSA-N 2 2 362.315 4.407 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(Cl)c1 ZINC000424274703 1087907454 /nfs/dbraw/zinc/90/74/54/1087907454.db2.gz ZCYBQAYHNFJKRQ-OAHLLOKOSA-N 2 2 355.869 4.444 20 0 FIADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccccc1Sc1ccccc1 ZINC000424337498 1087925981 /nfs/dbraw/zinc/92/59/81/1087925981.db2.gz SBQXPNVXUGVBCY-KBAYOESNSA-N 2 2 369.534 4.024 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](Cc1ccncc1)c1cccs1)CCC2 ZINC000424311566 1087933531 /nfs/dbraw/zinc/93/35/31/1087933531.db2.gz LBGMJDVATZNXAU-ROUUACIJSA-N 2 2 352.507 4.099 20 0 FIADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414843644 1088503280 /nfs/dbraw/zinc/50/32/80/1088503280.db2.gz JWXRMOFSRPIJGA-UTKZUKDTSA-N 2 2 367.537 4.379 20 0 FIADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)cc1 ZINC000514058498 1088681490 /nfs/dbraw/zinc/68/14/90/1088681490.db2.gz WSMUFTCCCOEYAI-UHFFFAOYSA-N 2 2 362.477 4.479 20 0 FIADLP COC(=O)c1csc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000514104951 1088750257 /nfs/dbraw/zinc/75/02/57/1088750257.db2.gz NQXVRCGSMDRFEM-INIZCTEOSA-N 2 2 372.534 4.158 20 0 FIADLP Brc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434685973 1088945282 /nfs/dbraw/zinc/94/52/82/1088945282.db2.gz SFIGAPAJVCINSO-UHFFFAOYSA-N 2 2 374.326 4.362 20 0 FIADLP CC(C)CCn1cccc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000236634664 1088978824 /nfs/dbraw/zinc/97/88/24/1088978824.db2.gz GKRLCEZRYZQPED-UHFFFAOYSA-N 2 2 368.569 4.359 20 0 FIADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4nc5ccccc5s4)o3)C2)C1 ZINC000430121659 1089362756 /nfs/dbraw/zinc/36/27/56/1089362756.db2.gz GVNXZWGFAVDDQB-FQEVSTJZSA-N 2 2 353.491 4.084 20 0 FIADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4nc5ccccc5s4)o3)C2)C1 ZINC000430121659 1089362777 /nfs/dbraw/zinc/36/27/77/1089362777.db2.gz GVNXZWGFAVDDQB-FQEVSTJZSA-N 2 2 353.491 4.084 20 0 FIADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-c4nc5ccccc5s4)o3)C2)C1 ZINC000430121659 1089362796 /nfs/dbraw/zinc/36/27/96/1089362796.db2.gz GVNXZWGFAVDDQB-FQEVSTJZSA-N 2 2 353.491 4.084 20 0 FIADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-c4nc5ccccc5s4)o3)C2)C1 ZINC000430121659 1089362812 /nfs/dbraw/zinc/36/28/12/1089362812.db2.gz GVNXZWGFAVDDQB-FQEVSTJZSA-N 2 2 353.491 4.084 20 0 FIADLP CN1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000514694956 1089377785 /nfs/dbraw/zinc/37/77/85/1089377785.db2.gz UEMSTECGPXJRKX-SFTDATJTSA-N 2 2 366.896 4.061 20 0 FIADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000435371368 1089581974 /nfs/dbraw/zinc/58/19/74/1089581974.db2.gz MKCXAKHBQONPQS-QWRGUYRKSA-N 2 2 356.322 4.286 20 0 FIADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000435371368 1089581993 /nfs/dbraw/zinc/58/19/93/1089581993.db2.gz MKCXAKHBQONPQS-QWRGUYRKSA-N 2 2 356.322 4.286 20 0 FIADLP CCCOc1cccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435425644 1089643834 /nfs/dbraw/zinc/64/38/34/1089643834.db2.gz DXNNPTNXCUGBAA-IBGZPJMESA-N 2 2 371.550 4.076 20 0 FIADLP CCCOc1cccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435425644 1089643841 /nfs/dbraw/zinc/64/38/41/1089643841.db2.gz DXNNPTNXCUGBAA-IBGZPJMESA-N 2 2 371.550 4.076 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425402047 1089894109 /nfs/dbraw/zinc/89/41/09/1089894109.db2.gz HUAFXDLVJVFVGK-CTNGQTDRSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425402047 1089894125 /nfs/dbraw/zinc/89/41/25/1089894125.db2.gz HUAFXDLVJVFVGK-CTNGQTDRSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425402047 1089894138 /nfs/dbraw/zinc/89/41/38/1089894138.db2.gz HUAFXDLVJVFVGK-CTNGQTDRSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425402047 1089894158 /nfs/dbraw/zinc/89/41/58/1089894158.db2.gz HUAFXDLVJVFVGK-CTNGQTDRSA-N 2 2 364.537 4.230 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]Cc2nc(C)cs2)cc1C[NH+]1CCCCC1 ZINC000182292077 1090342840 /nfs/dbraw/zinc/34/28/40/1090342840.db2.gz ARIVJKIWKSTTQM-MRXNPFEDSA-N 2 2 359.539 4.297 20 0 FIADLP C[N@H+](CC[C@H]1CCc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659991560 1090374419 /nfs/dbraw/zinc/37/44/19/1090374419.db2.gz VONKRVQTFGJGOU-OAQYLSRUSA-N 2 2 363.549 4.140 20 0 FIADLP C[N@@H+](CC[C@H]1CCc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659991560 1090374424 /nfs/dbraw/zinc/37/44/24/1090374424.db2.gz VONKRVQTFGJGOU-OAQYLSRUSA-N 2 2 363.549 4.140 20 0 FIADLP CC(C)c1cccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000659991328 1090374695 /nfs/dbraw/zinc/37/46/95/1090374695.db2.gz NZCCUGCEONTNBU-UHFFFAOYSA-N 2 2 351.538 4.344 20 0 FIADLP CC(C)c1cccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000659991328 1090374700 /nfs/dbraw/zinc/37/47/00/1090374700.db2.gz NZCCUGCEONTNBU-UHFFFAOYSA-N 2 2 351.538 4.344 20 0 FIADLP CCOc1ccc(OCC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000543866757 1090486158 /nfs/dbraw/zinc/48/61/58/1090486158.db2.gz AFEYZLFKYXYLGT-QGZVFWFLSA-N 2 2 351.450 4.001 20 0 FIADLP Clc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2ncccc12 ZINC000584866353 1090959683 /nfs/dbraw/zinc/95/96/83/1090959683.db2.gz RWJIAVYWGAORHT-UHFFFAOYSA-N 2 2 362.864 4.423 20 0 FIADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000390525828 1091182446 /nfs/dbraw/zinc/18/24/46/1091182446.db2.gz IYXDJGQIIOCBCY-XUZZJYLKSA-N 3 2 365.565 4.009 20 0 FIADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000390525828 1091182448 /nfs/dbraw/zinc/18/24/48/1091182448.db2.gz IYXDJGQIIOCBCY-XUZZJYLKSA-N 3 2 365.565 4.009 20 0 FIADLP Cc1oc2ccccc2c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390548316 1091230296 /nfs/dbraw/zinc/23/02/96/1091230296.db2.gz JHRVJSVHFFYTMW-FQEVSTJZSA-N 2 2 364.489 4.122 20 0 FIADLP Cc1oc2ccccc2c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390548316 1091230306 /nfs/dbraw/zinc/23/03/06/1091230306.db2.gz JHRVJSVHFFYTMW-FQEVSTJZSA-N 2 2 364.489 4.122 20 0 FIADLP O[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc(Cl)c(F)c1 ZINC000759861206 1091347386 /nfs/dbraw/zinc/34/73/86/1091347386.db2.gz GGWOVKDVWXONDC-OXQOHEQNSA-N 2 2 368.924 4.101 20 0 FIADLP O[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc(Cl)c(F)c1 ZINC000759861206 1091347395 /nfs/dbraw/zinc/34/73/95/1091347395.db2.gz GGWOVKDVWXONDC-OXQOHEQNSA-N 2 2 368.924 4.101 20 0 FIADLP Fc1ccc([C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000390707977 1091420342 /nfs/dbraw/zinc/42/03/42/1091420342.db2.gz VWPBTBPYDAIVDY-DHIUTWEWSA-N 2 2 368.496 4.158 20 0 FIADLP Fc1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000390707977 1091420345 /nfs/dbraw/zinc/42/03/45/1091420345.db2.gz VWPBTBPYDAIVDY-DHIUTWEWSA-N 2 2 368.496 4.158 20 0 FIADLP C[C@@H](c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1)C(F)(F)F ZINC000660474367 1091592278 /nfs/dbraw/zinc/59/22/78/1091592278.db2.gz IDDUSTUFLFTNHK-QFBILLFUSA-N 2 2 370.459 4.039 20 0 FIADLP C[C@@H](c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1)C(F)(F)F ZINC000660474367 1091592281 /nfs/dbraw/zinc/59/22/81/1091592281.db2.gz IDDUSTUFLFTNHK-QFBILLFUSA-N 2 2 370.459 4.039 20 0 FIADLP COc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1Cl ZINC000660481781 1091606179 /nfs/dbraw/zinc/60/61/79/1091606179.db2.gz YSYKDDPMUBQJNS-MRXNPFEDSA-N 2 2 359.901 4.261 20 0 FIADLP COc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1Cl ZINC000660481781 1091606188 /nfs/dbraw/zinc/60/61/88/1091606188.db2.gz YSYKDDPMUBQJNS-MRXNPFEDSA-N 2 2 359.901 4.261 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000512205442 1091910362 /nfs/dbraw/zinc/91/03/62/1091910362.db2.gz ZDVYEWPBFDXALJ-ZWKOTPCHSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000512205442 1091910366 /nfs/dbraw/zinc/91/03/66/1091910366.db2.gz ZDVYEWPBFDXALJ-ZWKOTPCHSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000512205442 1091910368 /nfs/dbraw/zinc/91/03/68/1091910368.db2.gz ZDVYEWPBFDXALJ-ZWKOTPCHSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000512205442 1091910371 /nfs/dbraw/zinc/91/03/71/1091910371.db2.gz ZDVYEWPBFDXALJ-ZWKOTPCHSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512236291 1091945256 /nfs/dbraw/zinc/94/52/56/1091945256.db2.gz GJJOHFLJARPCAI-MBSDFSHPSA-N 2 2 361.489 4.487 20 0 FIADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512236291 1091945259 /nfs/dbraw/zinc/94/52/59/1091945259.db2.gz GJJOHFLJARPCAI-MBSDFSHPSA-N 2 2 361.489 4.487 20 0 FIADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512236291 1091945260 /nfs/dbraw/zinc/94/52/60/1091945260.db2.gz GJJOHFLJARPCAI-MBSDFSHPSA-N 2 2 361.489 4.487 20 0 FIADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512236291 1091945261 /nfs/dbraw/zinc/94/52/61/1091945261.db2.gz GJJOHFLJARPCAI-MBSDFSHPSA-N 2 2 361.489 4.487 20 0 FIADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000614030169 1092103084 /nfs/dbraw/zinc/10/30/84/1092103084.db2.gz HWXFZFSWWYIWOK-SFHVURJKSA-N 2 2 374.488 4.499 20 0 FIADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000614030169 1092103087 /nfs/dbraw/zinc/10/30/87/1092103087.db2.gz HWXFZFSWWYIWOK-SFHVURJKSA-N 2 2 374.488 4.499 20 0 FIADLP FC(F)Oc1ccc2ccccc2c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000512375058 1092182113 /nfs/dbraw/zinc/18/21/13/1092182113.db2.gz KZGUXVRKSPATDH-UHFFFAOYSA-N 2 2 357.404 4.475 20 0 FIADLP C[NH+](C)[C@@H]1CCC[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000432789564 1092368694 /nfs/dbraw/zinc/36/86/94/1092368694.db2.gz SYVHOLHLMGKQSC-MRXNPFEDSA-N 2 2 355.309 4.185 20 0 FIADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000432789564 1092368708 /nfs/dbraw/zinc/36/87/08/1092368708.db2.gz SYVHOLHLMGKQSC-MRXNPFEDSA-N 2 2 355.309 4.185 20 0 FIADLP C[NH+](C)Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1Cl ZINC000500787975 1092571414 /nfs/dbraw/zinc/57/14/14/1092571414.db2.gz PFULVXUCRHSSII-FQEVSTJZSA-N 2 2 371.912 4.005 20 0 FIADLP C[NH+](C)Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1Cl ZINC000500787975 1092571425 /nfs/dbraw/zinc/57/14/25/1092571425.db2.gz PFULVXUCRHSSII-FQEVSTJZSA-N 2 2 371.912 4.005 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000245580295 1092665531 /nfs/dbraw/zinc/66/55/31/1092665531.db2.gz GVLGBLJCEROEDN-HVETUWLQSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000245580295 1092665542 /nfs/dbraw/zinc/66/55/42/1092665542.db2.gz GVLGBLJCEROEDN-HVETUWLQSA-N 2 2 353.485 4.098 20 0 FIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)c(C)c1 ZINC000442822787 1092778268 /nfs/dbraw/zinc/77/82/68/1092778268.db2.gz XSWQTJGLBUWJFX-HOYKHHGWSA-N 2 2 370.500 4.480 20 0 FIADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000474039164 1092855516 /nfs/dbraw/zinc/85/55/16/1092855516.db2.gz VXVVDLLAQSUFEW-FQEVSTJZSA-N 2 2 351.494 4.071 20 0 FIADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1nc(C2CC2)cs1 ZINC000469756085 1092869451 /nfs/dbraw/zinc/86/94/51/1092869451.db2.gz FEYCHTAEDNOGTQ-HZPDHXFCSA-N 2 2 355.551 4.267 20 0 FIADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000521819369 1092938174 /nfs/dbraw/zinc/93/81/74/1092938174.db2.gz BDCSPXZLWDUDEL-LJQANCHMSA-N 2 2 371.488 4.223 20 0 FIADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000521834159 1092946577 /nfs/dbraw/zinc/94/65/77/1092946577.db2.gz VJXVWSFDTMUMQX-CYBMUJFWSA-N 2 2 351.288 4.139 20 0 FIADLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OC)c(OC)c1 ZINC000152103529 1092986499 /nfs/dbraw/zinc/98/64/99/1092986499.db2.gz LZTXMQBHFMVTQW-HXUWFJFHSA-N 2 2 365.477 4.190 20 0 FIADLP CC1(C)C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c2ccc(F)cc2O1 ZINC000544179074 1092996771 /nfs/dbraw/zinc/99/67/71/1092996771.db2.gz WMCCBBGZFGDLFF-KRWDZBQOSA-N 2 2 357.454 4.465 20 0 FIADLP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000512682409 1093134668 /nfs/dbraw/zinc/13/46/68/1093134668.db2.gz GAOZANSXWKLORT-DEOSSOPVSA-N 2 2 374.532 4.087 20 0 FIADLP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000512682409 1093134671 /nfs/dbraw/zinc/13/46/71/1093134671.db2.gz GAOZANSXWKLORT-DEOSSOPVSA-N 2 2 374.532 4.087 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)o2)cc1 ZINC000614235437 1093277580 /nfs/dbraw/zinc/27/75/80/1093277580.db2.gz IVZPKMDRNZOMSV-APWZRJJASA-N 2 2 370.493 4.038 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)o2)cc1 ZINC000614235437 1093277584 /nfs/dbraw/zinc/27/75/84/1093277584.db2.gz IVZPKMDRNZOMSV-APWZRJJASA-N 2 2 370.493 4.038 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)o2)cc1 ZINC000614235437 1093277588 /nfs/dbraw/zinc/27/75/88/1093277588.db2.gz IVZPKMDRNZOMSV-APWZRJJASA-N 2 2 370.493 4.038 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)o2)cc1 ZINC000614235437 1093277593 /nfs/dbraw/zinc/27/75/93/1093277593.db2.gz IVZPKMDRNZOMSV-APWZRJJASA-N 2 2 370.493 4.038 20 0 FIADLP Cc1ccc2ncc(C[N@H+](C)C[C@@H]3CC[NH+](C)[C@H]3c3cccnc3)cc2c1 ZINC000411585565 1093376126 /nfs/dbraw/zinc/37/61/26/1093376126.db2.gz TUYOVMGDKUZHCG-REWPJTCUSA-N 2 2 360.505 4.063 20 0 FIADLP Cc1ccc2ncc(C[N@@H+](C)C[C@@H]3CC[NH+](C)[C@H]3c3cccnc3)cc2c1 ZINC000411585565 1093376136 /nfs/dbraw/zinc/37/61/36/1093376136.db2.gz TUYOVMGDKUZHCG-REWPJTCUSA-N 2 2 360.505 4.063 20 0 FIADLP Cc1ccc2ncc(C[NH+](C)C[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)cc2c1 ZINC000411585565 1093376144 /nfs/dbraw/zinc/37/61/44/1093376144.db2.gz TUYOVMGDKUZHCG-REWPJTCUSA-N 2 2 360.505 4.063 20 0 FIADLP Cc1ccc2ncc(C[NH+](C)C[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)cc2c1 ZINC000411585565 1093376149 /nfs/dbraw/zinc/37/61/49/1093376149.db2.gz TUYOVMGDKUZHCG-REWPJTCUSA-N 2 2 360.505 4.063 20 0 FIADLP CC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(OC)c(OC)c1 ZINC000512909072 1093546707 /nfs/dbraw/zinc/54/67/07/1093546707.db2.gz RCKAXLCTKSOKLN-QGZVFWFLSA-N 2 2 357.479 4.192 20 0 FIADLP Clc1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000655682945 1093585189 /nfs/dbraw/zinc/58/51/89/1093585189.db2.gz NVTDXVLIYWORRG-YADHBBJMSA-N 2 2 370.924 4.272 20 0 FIADLP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)cc1 ZINC001211884878 1093630893 /nfs/dbraw/zinc/63/08/93/1093630893.db2.gz ICKYJEUEVBLSBE-PMACEKPBSA-N 2 2 362.477 4.354 20 0 FIADLP Fc1ccc2occ(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001141854551 1093787885 /nfs/dbraw/zinc/78/78/85/1093787885.db2.gz GSRMNTHWLQFDPA-ROUUACIJSA-N 2 2 350.437 4.136 20 0 FIADLP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513419241 1094107395 /nfs/dbraw/zinc/10/73/95/1094107395.db2.gz GFSIKWLGYCYUCL-GOSISDBHSA-N 2 2 370.516 4.304 20 0 FIADLP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513419241 1094107400 /nfs/dbraw/zinc/10/74/00/1094107400.db2.gz GFSIKWLGYCYUCL-GOSISDBHSA-N 2 2 370.516 4.304 20 0 FIADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000474617428 1094443283 /nfs/dbraw/zinc/44/32/83/1094443283.db2.gz APUQXUDOEMOCIC-DLBZAZTESA-N 2 2 365.477 4.171 20 0 FIADLP C[C@@H]1CC([N@H+](C)Cc2cnc3ccccn23)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041792 1094622432 /nfs/dbraw/zinc/62/24/32/1094622432.db2.gz VMESGEQSWUTXHF-RTBURBONSA-N 2 2 362.521 4.208 20 0 FIADLP C[C@@H]1CC([N@@H+](C)Cc2cnc3ccccn23)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041792 1094622436 /nfs/dbraw/zinc/62/24/36/1094622436.db2.gz VMESGEQSWUTXHF-RTBURBONSA-N 2 2 362.521 4.208 20 0 FIADLP FC(F)(F)c1ccc(OCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000501328251 1094636806 /nfs/dbraw/zinc/63/68/06/1094636806.db2.gz UPJMNIOSSVMVQI-UHFFFAOYSA-N 2 2 356.432 4.035 20 0 FIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)[nH+]1 ZINC000501454188 1094720787 /nfs/dbraw/zinc/72/07/87/1094720787.db2.gz URXJNSNXQIWRPP-RBBKRZOGSA-N 2 2 360.505 4.185 20 0 FIADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2c(F)cccc2Br)cc1F ZINC000474880304 1094829008 /nfs/dbraw/zinc/82/90/08/1094829008.db2.gz PIUZBNTZMAXERI-UHFFFAOYSA-N 2 2 369.253 4.079 20 0 FIADLP Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)oc1-c1ccc(Cl)cc1 ZINC000420394358 1094910428 /nfs/dbraw/zinc/91/04/28/1094910428.db2.gz KHPCRCUQPVUUKM-SJLPKXTDSA-N 2 2 359.901 4.267 20 0 FIADLP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)oc1-c1ccc(Cl)cc1 ZINC000420394358 1094910431 /nfs/dbraw/zinc/91/04/31/1094910431.db2.gz KHPCRCUQPVUUKM-SJLPKXTDSA-N 2 2 359.901 4.267 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1nc2c(s1)CCC2 ZINC000502018620 1095058492 /nfs/dbraw/zinc/05/84/92/1095058492.db2.gz PGTQUSGEIDTVOK-SOLBZPMBSA-N 2 2 355.551 4.336 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1nc2c(s1)CCC2 ZINC000502018620 1095058509 /nfs/dbraw/zinc/05/85/09/1095058509.db2.gz PGTQUSGEIDTVOK-SOLBZPMBSA-N 2 2 355.551 4.336 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1nc2c(s1)CCC2 ZINC000502018619 1095059460 /nfs/dbraw/zinc/05/94/60/1095059460.db2.gz PGTQUSGEIDTVOK-RYRKJORJSA-N 2 2 355.551 4.336 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1nc2c(s1)CCC2 ZINC000502018619 1095059477 /nfs/dbraw/zinc/05/94/77/1095059477.db2.gz PGTQUSGEIDTVOK-RYRKJORJSA-N 2 2 355.551 4.336 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cc2cccc(F)c2o1 ZINC000420923600 1095166123 /nfs/dbraw/zinc/16/61/23/1095166123.db2.gz QOYLRVSVGPYGEF-INIZCTEOSA-N 2 2 368.452 4.255 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](CNc1cc(C)[nH+]c3ccc(OC(F)F)cc13)CCC2 ZINC000443898972 1095170685 /nfs/dbraw/zinc/17/06/85/1095170685.db2.gz RHAXJCMDQAMUEH-AWEZNQCLSA-N 2 2 372.419 4.061 20 0 FIADLP c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000502325333 1095352085 /nfs/dbraw/zinc/35/20/85/1095352085.db2.gz IZAKONLRHMJEBR-OAHLLOKOSA-N 2 2 367.522 4.051 20 0 FIADLP c1cc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000502325333 1095352104 /nfs/dbraw/zinc/35/21/04/1095352104.db2.gz IZAKONLRHMJEBR-OAHLLOKOSA-N 2 2 367.522 4.051 20 0 FIADLP Brc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502308240 1095354944 /nfs/dbraw/zinc/35/49/44/1095354944.db2.gz HFQOWCASFHLVTP-INIZCTEOSA-N 2 2 374.326 4.362 20 0 FIADLP Brc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502308240 1095354964 /nfs/dbraw/zinc/35/49/64/1095354964.db2.gz HFQOWCASFHLVTP-INIZCTEOSA-N 2 2 374.326 4.362 20 0 FIADLP c1nc(C2CCC2)sc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502330798 1095368741 /nfs/dbraw/zinc/36/87/41/1095368741.db2.gz HBMCAOSXZQIQHU-INIZCTEOSA-N 2 2 356.539 4.323 20 0 FIADLP c1nc(C2CCC2)sc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502330798 1095368753 /nfs/dbraw/zinc/36/87/53/1095368753.db2.gz HBMCAOSXZQIQHU-INIZCTEOSA-N 2 2 356.539 4.323 20 0 FIADLP FC(F)Oc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502348282 1095400544 /nfs/dbraw/zinc/40/05/44/1095400544.db2.gz ZPEIPQRAHZRJFJ-INIZCTEOSA-N 2 2 361.436 4.200 20 0 FIADLP FC(F)Oc1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502348282 1095400556 /nfs/dbraw/zinc/40/05/56/1095400556.db2.gz ZPEIPQRAHZRJFJ-INIZCTEOSA-N 2 2 361.436 4.200 20 0 FIADLP c1cn(-c2cccc(C[NH2+]Cc3ccc(Sc4ccccn4)o3)c2)c[nH+]1 ZINC000509540420 1095596498 /nfs/dbraw/zinc/59/64/98/1095596498.db2.gz JJCBHARJGWESER-UHFFFAOYSA-N 2 2 362.458 4.301 20 0 FIADLP C[C@@H]1CC([N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168050393 1095701222 /nfs/dbraw/zinc/70/12/22/1095701222.db2.gz AHBYWVYDJKFVAT-OPYAIIAOSA-N 2 2 372.553 4.234 20 0 FIADLP C[C@@H]1CC([N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168050393 1095701226 /nfs/dbraw/zinc/70/12/26/1095701226.db2.gz AHBYWVYDJKFVAT-OPYAIIAOSA-N 2 2 372.553 4.234 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@H]2C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168050395 1095701757 /nfs/dbraw/zinc/70/17/57/1095701757.db2.gz AHBYWVYDJKFVAT-YHELAOLJSA-N 2 2 372.553 4.234 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@H]2C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168050395 1095701765 /nfs/dbraw/zinc/70/17/65/1095701765.db2.gz AHBYWVYDJKFVAT-YHELAOLJSA-N 2 2 372.553 4.234 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168050395 1095701777 /nfs/dbraw/zinc/70/17/77/1095701777.db2.gz AHBYWVYDJKFVAT-YHELAOLJSA-N 2 2 372.553 4.234 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168050395 1095701783 /nfs/dbraw/zinc/70/17/83/1095701783.db2.gz AHBYWVYDJKFVAT-YHELAOLJSA-N 2 2 372.553 4.234 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cnn(C2CCCC2)c1 ZINC000502699758 1095725632 /nfs/dbraw/zinc/72/56/32/1095725632.db2.gz SNAAYPBIFBFPEV-OAHLLOKOSA-N 2 2 353.445 4.174 20 0 FIADLP COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000502724573 1095760725 /nfs/dbraw/zinc/76/07/25/1095760725.db2.gz QKRMQJRUYYYVEY-WBVHZDCISA-N 2 2 367.331 4.079 20 0 FIADLP COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000502724573 1095760742 /nfs/dbraw/zinc/76/07/42/1095760742.db2.gz QKRMQJRUYYYVEY-WBVHZDCISA-N 2 2 367.331 4.079 20 0 FIADLP COc1ccc(Br)cc1[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000502724573 1095760758 /nfs/dbraw/zinc/76/07/58/1095760758.db2.gz QKRMQJRUYYYVEY-WBVHZDCISA-N 2 2 367.331 4.079 20 0 FIADLP COc1ccc(Br)cc1[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000502724573 1095760772 /nfs/dbraw/zinc/76/07/72/1095760772.db2.gz QKRMQJRUYYYVEY-WBVHZDCISA-N 2 2 367.331 4.079 20 0 FIADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000421822466 1095935628 /nfs/dbraw/zinc/93/56/28/1095935628.db2.gz XDAMNTAHQNNEDL-OAHLLOKOSA-N 2 2 355.869 4.444 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccncc1Cl ZINC000421818872 1095952390 /nfs/dbraw/zinc/95/23/90/1095952390.db2.gz CXOZRMOZFBMPFL-BRWVUGGUSA-N 2 2 373.928 4.195 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+][C@](C)(Cc2ccccc2)c2ccccc2)s1 ZINC000414570600 1096072899 /nfs/dbraw/zinc/07/28/99/1096072899.db2.gz MZDIDFIPSLZJKY-JOCHJYFZSA-N 2 2 365.546 4.452 20 0 FIADLP Fc1ccccc1SCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380491 1096380214 /nfs/dbraw/zinc/38/02/14/1096380214.db2.gz ZQYMHCXPFXAGRH-MRXNPFEDSA-N 2 2 359.514 4.330 20 0 FIADLP Fc1ccccc1SCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380491 1096380220 /nfs/dbraw/zinc/38/02/20/1096380220.db2.gz ZQYMHCXPFXAGRH-MRXNPFEDSA-N 2 2 359.514 4.330 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CCC4(CCCCC4)O3)C2)n2c1CCCC2 ZINC000503409308 1096388354 /nfs/dbraw/zinc/38/83/54/1096388354.db2.gz TZSSZDYJFLVIBI-AZUAARDMSA-N 2 2 357.542 4.281 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@H+](C[C@H]3CCC4(CCCCC4)O3)C2)n2c1CCCC2 ZINC000503409308 1096388362 /nfs/dbraw/zinc/38/83/62/1096388362.db2.gz TZSSZDYJFLVIBI-AZUAARDMSA-N 2 2 357.542 4.281 20 0 FIADLP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411317 1096389649 /nfs/dbraw/zinc/38/96/49/1096389649.db2.gz OCERRRYEBPHWJI-LJQANCHMSA-N 2 2 353.510 4.095 20 0 FIADLP Cc1cccc(C)c1OCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411317 1096389656 /nfs/dbraw/zinc/38/96/56/1096389656.db2.gz OCERRRYEBPHWJI-LJQANCHMSA-N 2 2 353.510 4.095 20 0 FIADLP CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000503439439 1096401926 /nfs/dbraw/zinc/40/19/26/1096401926.db2.gz VNMOBEDQUXWIPV-QGZVFWFLSA-N 2 2 368.525 4.171 20 0 FIADLP CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000503439437 1096402545 /nfs/dbraw/zinc/40/25/45/1096402545.db2.gz VNMOBEDQUXWIPV-KRWDZBQOSA-N 2 2 368.525 4.171 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@@H+](CCCOCCc3ccccc3)C2)n2c1CCCC2 ZINC000503443107 1096410043 /nfs/dbraw/zinc/41/00/43/1096410043.db2.gz WBXICHKYMXOIDK-NRFANRHFSA-N 2 2 367.537 4.048 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@H+](CCCOCCc3ccccc3)C2)n2c1CCCC2 ZINC000503443107 1096410048 /nfs/dbraw/zinc/41/00/48/1096410048.db2.gz WBXICHKYMXOIDK-NRFANRHFSA-N 2 2 367.537 4.048 20 0 FIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)[C@H](C)C1 ZINC000503551382 1096467953 /nfs/dbraw/zinc/46/79/53/1096467953.db2.gz MDUNUYHCGJEMRK-NQIIRXRSSA-N 2 2 372.509 4.299 20 0 FIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)[C@H](C)C1 ZINC000503551382 1096467958 /nfs/dbraw/zinc/46/79/58/1096467958.db2.gz MDUNUYHCGJEMRK-NQIIRXRSSA-N 2 2 372.509 4.299 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1nc(-c2ccncc2)cs1 ZINC000422911593 1096522745 /nfs/dbraw/zinc/52/27/45/1096522745.db2.gz LDGWQRXOCQZWNE-KFKAGJAMSA-N 2 2 364.518 4.349 20 0 FIADLP c1coc([C@@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc2)c1 ZINC000422965911 1096533613 /nfs/dbraw/zinc/53/36/13/1096533613.db2.gz QBWPMPZGLKZFIL-WTIAFYNJSA-N 2 2 360.457 4.215 20 0 FIADLP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)ccc1OC1CCCC1 ZINC000422947759 1096536491 /nfs/dbraw/zinc/53/64/91/1096536491.db2.gz YUYAVIIHKDOSGT-PMACEKPBSA-N 2 2 352.478 4.251 20 0 FIADLP Cc1nc(-c2ccc(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)o2)cs1 ZINC000422948909 1096537206 /nfs/dbraw/zinc/53/72/06/1096537206.db2.gz SEIDWAUPPFTVPF-FUHWJXTLSA-N 2 2 353.491 4.294 20 0 FIADLP CN(C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000423057467 1096559989 /nfs/dbraw/zinc/55/99/89/1096559989.db2.gz ZVGBGKKAMFBRFC-IPMKNSEASA-N 2 2 363.427 4.043 20 0 FIADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423086944 1096569588 /nfs/dbraw/zinc/56/95/88/1096569588.db2.gz OHYBYCFNPVYWEF-UNMCSNQZSA-N 2 2 360.505 4.232 20 0 FIADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Cl)ccc1OC(F)F ZINC000423185120 1096596658 /nfs/dbraw/zinc/59/66/58/1096596658.db2.gz JECHXPDRICBRKP-ZDUSSCGKSA-N 2 2 369.843 4.167 20 0 FIADLP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2Cl)cc1OC ZINC000423211286 1096609066 /nfs/dbraw/zinc/60/90/66/1096609066.db2.gz KTXAPAPQASAZHL-YCRPNKLZSA-N 2 2 374.912 4.036 20 0 FIADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2)c2ccccc21 ZINC000423194087 1096613351 /nfs/dbraw/zinc/61/33/51/1096613351.db2.gz WJIDYDRLQSEKID-CVEARBPZSA-N 2 2 351.675 4.337 20 0 FIADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(Cl)sc1Cl ZINC000423230245 1096624561 /nfs/dbraw/zinc/62/45/61/1096624561.db2.gz IWIVMRVFAPYDQP-SNVBAGLBSA-N 2 2 357.310 4.033 20 0 FIADLP Cc1ncoc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000894280426 1096640519 /nfs/dbraw/zinc/64/05/19/1096640519.db2.gz JHGFUEMKUBPUFA-MAUKXSAKSA-N 2 2 367.415 4.175 20 0 FIADLP Cc1ncoc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000894280426 1096640522 /nfs/dbraw/zinc/64/05/22/1096640522.db2.gz JHGFUEMKUBPUFA-MAUKXSAKSA-N 2 2 367.415 4.175 20 0 FIADLP Cc1n[nH]c(C)c1C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000504161012 1096694318 /nfs/dbraw/zinc/69/43/18/1096694318.db2.gz AKASYNHMVWATPD-UHFFFAOYSA-N 2 2 371.488 4.228 20 0 FIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000423502697 1096700681 /nfs/dbraw/zinc/70/06/81/1096700681.db2.gz MGEUUQGGNDBVMA-DYVFJYSZSA-N 2 2 364.436 4.210 20 0 FIADLP Fc1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167960096 1098632039 /nfs/dbraw/zinc/63/20/39/1098632039.db2.gz WDJMBMVSLWYIKQ-ALOPSCKCSA-N 2 2 367.306 4.083 20 0 FIADLP Fc1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960096 1098632045 /nfs/dbraw/zinc/63/20/45/1098632045.db2.gz WDJMBMVSLWYIKQ-ALOPSCKCSA-N 2 2 367.306 4.083 20 0 FIADLP CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000533077774 1098745156 /nfs/dbraw/zinc/74/51/56/1098745156.db2.gz UUHCEUWJQRNHSD-GOSISDBHSA-N 2 2 352.507 4.401 20 0 FIADLP CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000533077774 1098745169 /nfs/dbraw/zinc/74/51/69/1098745169.db2.gz UUHCEUWJQRNHSD-GOSISDBHSA-N 2 2 352.507 4.401 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436297239 1098911192 /nfs/dbraw/zinc/91/11/92/1098911192.db2.gz VBMNJDBKKXNYDA-OAHLLOKOSA-N 2 2 352.457 4.017 20 0 FIADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000533426794 1099047673 /nfs/dbraw/zinc/04/76/73/1099047673.db2.gz HOWLKEQBFJPAGL-KRWDZBQOSA-N 2 2 370.493 4.060 20 0 FIADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000533426794 1099047685 /nfs/dbraw/zinc/04/76/85/1099047685.db2.gz HOWLKEQBFJPAGL-KRWDZBQOSA-N 2 2 370.493 4.060 20 0 FIADLP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000533427712 1099048489 /nfs/dbraw/zinc/04/84/89/1099048489.db2.gz XJENBKMPTLMXLK-LJQANCHMSA-N 2 2 363.436 4.106 20 0 FIADLP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000533427712 1099048499 /nfs/dbraw/zinc/04/84/99/1099048499.db2.gz XJENBKMPTLMXLK-LJQANCHMSA-N 2 2 363.436 4.106 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(-c3ccncc3)cc1F)CCC2 ZINC000533565359 1099176460 /nfs/dbraw/zinc/17/64/60/1099176460.db2.gz QHKJYHGEQJRCOY-IBGZPJMESA-N 2 2 350.441 4.060 20 0 FIADLP Cc1cc(C)c(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000455480077 1099262717 /nfs/dbraw/zinc/26/27/17/1099262717.db2.gz HDVSPBBLXKHRPE-KRWDZBQOSA-N 2 2 354.498 4.039 20 0 FIADLP Cc1cc(C)c(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000455480077 1099262725 /nfs/dbraw/zinc/26/27/25/1099262725.db2.gz HDVSPBBLXKHRPE-KRWDZBQOSA-N 2 2 354.498 4.039 20 0 FIADLP Cc1cc(C)c(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC000455508454 1099292161 /nfs/dbraw/zinc/29/21/61/1099292161.db2.gz ZYVIITJEOOURJJ-MSOLQXFVSA-N 2 2 366.509 4.134 20 0 FIADLP Cc1cc(C)c(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC000455508454 1099292172 /nfs/dbraw/zinc/29/21/72/1099292172.db2.gz ZYVIITJEOOURJJ-MSOLQXFVSA-N 2 2 366.509 4.134 20 0 FIADLP C[NH+]1CCC([C@@H]2CCN(c3cc[nH+]c4c(Br)cccc34)C2)CC1 ZINC000533707498 1099350613 /nfs/dbraw/zinc/35/06/13/1099350613.db2.gz FYPPPTULIKGFPE-OAHLLOKOSA-N 2 2 374.326 4.165 20 0 FIADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2nnc(-c3ccccc3)o2)c1 ZINC000079307450 1099721755 /nfs/dbraw/zinc/72/17/55/1099721755.db2.gz IFMMVWBDAUGWHA-QGZVFWFLSA-N 2 2 364.493 4.429 20 0 FIADLP C[C@@H](Nc1ccc(N2CCCC2)c[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516998735 1099978401 /nfs/dbraw/zinc/97/84/01/1099978401.db2.gz XLSLOKSOUMTZRS-QUCCMNQESA-N 2 2 350.510 4.004 20 0 FIADLP C[C@@H](Nc1ccc(N2CCCC2)c[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516998735 1099978403 /nfs/dbraw/zinc/97/84/03/1099978403.db2.gz XLSLOKSOUMTZRS-QUCCMNQESA-N 2 2 350.510 4.004 20 0 FIADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459399441 1100107677 /nfs/dbraw/zinc/10/76/77/1100107677.db2.gz LYJQXIYVYBNZNM-QZTJIDSGSA-N 2 2 351.416 4.250 20 0 FIADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459399441 1100107684 /nfs/dbraw/zinc/10/76/84/1100107684.db2.gz LYJQXIYVYBNZNM-QZTJIDSGSA-N 2 2 351.416 4.250 20 0 FIADLP C[C@H]1C[C@H]1c1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000536665610 1100138640 /nfs/dbraw/zinc/13/86/40/1100138640.db2.gz UBTGQVCAOVYEQB-PGRDOPGGSA-N 3 2 373.585 4.031 20 0 FIADLP C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000536665610 1100138652 /nfs/dbraw/zinc/13/86/52/1100138652.db2.gz UBTGQVCAOVYEQB-PGRDOPGGSA-N 3 2 373.585 4.031 20 0 FIADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000536665611 1100139602 /nfs/dbraw/zinc/13/96/02/1100139602.db2.gz UBTGQVCAOVYEQB-XMSQKQJNSA-N 3 2 373.585 4.031 20 0 FIADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000536665611 1100139615 /nfs/dbraw/zinc/13/96/15/1100139615.db2.gz UBTGQVCAOVYEQB-XMSQKQJNSA-N 3 2 373.585 4.031 20 0 FIADLP CCOc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)ccc1O ZINC000459440964 1100177767 /nfs/dbraw/zinc/17/77/67/1100177767.db2.gz AZNLPVWJDFUBJX-HXUWFJFHSA-N 2 2 365.477 4.135 20 0 FIADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000536698436 1100203300 /nfs/dbraw/zinc/20/33/00/1100203300.db2.gz ZHCXQLUBEJTDBN-HXUWFJFHSA-N 2 2 368.569 4.003 20 0 FIADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000536698436 1100203302 /nfs/dbraw/zinc/20/33/02/1100203302.db2.gz ZHCXQLUBEJTDBN-HXUWFJFHSA-N 2 2 368.569 4.003 20 0 FIADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000536698436 1100203303 /nfs/dbraw/zinc/20/33/03/1100203303.db2.gz ZHCXQLUBEJTDBN-HXUWFJFHSA-N 2 2 368.569 4.003 20 0 FIADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000536698436 1100203304 /nfs/dbraw/zinc/20/33/04/1100203304.db2.gz ZHCXQLUBEJTDBN-HXUWFJFHSA-N 2 2 368.569 4.003 20 0 FIADLP COc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1Cl ZINC000517262934 1100221798 /nfs/dbraw/zinc/22/17/98/1100221798.db2.gz NGMGKOBNNRTGRG-UHFFFAOYSA-N 2 2 358.913 4.445 20 0 FIADLP COc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1Cl ZINC000517262934 1100221811 /nfs/dbraw/zinc/22/18/11/1100221811.db2.gz NGMGKOBNNRTGRG-UHFFFAOYSA-N 2 2 358.913 4.445 20 0 FIADLP CCn1nc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)c2ccccc21 ZINC000379637978 1100234432 /nfs/dbraw/zinc/23/44/32/1100234432.db2.gz UAKMNWDIKOQUEM-GOSISDBHSA-N 2 2 350.510 4.056 20 0 FIADLP CCn1nc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c2ccccc21 ZINC000379637978 1100234439 /nfs/dbraw/zinc/23/44/39/1100234439.db2.gz UAKMNWDIKOQUEM-GOSISDBHSA-N 2 2 350.510 4.056 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]CCc3ccc(Cl)cc3)C2)CC1 ZINC000459515461 1100253383 /nfs/dbraw/zinc/25/33/83/1100253383.db2.gz BBUKEDKVWJLJJF-UHFFFAOYSA-N 2 2 360.851 4.277 20 0 FIADLP FC(F)(F)c1ccc(-c2nc(C[NH2+][C@@H]3CCC[NH2+]CC3)cs2)cc1 ZINC000414917719 1100295577 /nfs/dbraw/zinc/29/55/77/1100295577.db2.gz QZGRHHMMRCTVDP-CQSZACIVSA-N 2 2 355.429 4.061 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000536834948 1100346328 /nfs/dbraw/zinc/34/63/28/1100346328.db2.gz YUAWAHMAUFSGAA-QUCCMNQESA-N 3 2 354.542 4.199 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000536834948 1100346338 /nfs/dbraw/zinc/34/63/38/1100346338.db2.gz YUAWAHMAUFSGAA-QUCCMNQESA-N 3 2 354.542 4.199 20 0 FIADLP C[C@H](C[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1)C[NH+](C)C ZINC000425945151 1100400445 /nfs/dbraw/zinc/40/04/45/1100400445.db2.gz PLGYMYUJLKFTNV-ZHRRBRCNSA-N 2 2 351.469 4.251 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425948370 1100423058 /nfs/dbraw/zinc/42/30/58/1100423058.db2.gz AKOPPFISJPODNK-KSFYIVLOSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425948370 1100423066 /nfs/dbraw/zinc/42/30/66/1100423066.db2.gz AKOPPFISJPODNK-KSFYIVLOSA-N 2 2 353.485 4.098 20 0 FIADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)CC3(c4ccccc4)CC3)sc2C1 ZINC000438257641 1100540705 /nfs/dbraw/zinc/54/07/05/1100540705.db2.gz MLOZCJIPFGAXPH-UHFFFAOYSA-N 2 2 355.551 4.073 20 0 FIADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)CC3(c4ccccc4)CC3)sc2C1 ZINC000438257641 1100540717 /nfs/dbraw/zinc/54/07/17/1100540717.db2.gz MLOZCJIPFGAXPH-UHFFFAOYSA-N 2 2 355.551 4.073 20 0 FIADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)CC3(c4ccccc4)CC3)sc2C1 ZINC000438257641 1100540725 /nfs/dbraw/zinc/54/07/25/1100540725.db2.gz MLOZCJIPFGAXPH-UHFFFAOYSA-N 2 2 355.551 4.073 20 0 FIADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)CC3(c4ccccc4)CC3)sc2C1 ZINC000438257641 1100540738 /nfs/dbraw/zinc/54/07/38/1100540738.db2.gz MLOZCJIPFGAXPH-UHFFFAOYSA-N 2 2 355.551 4.073 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cc3c(cccc3O)s2)CC1 ZINC000894359573 1100804708 /nfs/dbraw/zinc/80/47/08/1100804708.db2.gz OOHVFXAKMAGSDA-OAHLLOKOSA-N 2 2 367.518 4.317 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CC[NH2+]1 ZINC000414950328 1100908062 /nfs/dbraw/zinc/90/80/62/1100908062.db2.gz OKPKSKRAKBQBRU-JQWIXIFHSA-N 2 2 356.322 4.347 20 0 FIADLP CC[C@H]([NH3+])C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414975397 1101087374 /nfs/dbraw/zinc/08/73/74/1101087374.db2.gz GIRDZPLMSISYRI-AWEZNQCLSA-N 2 2 366.292 4.073 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(-c3ccccc3)no2)C1 ZINC000506475063 1101108540 /nfs/dbraw/zinc/10/85/40/1101108540.db2.gz RWPXPQOOUAKRGX-OALUTQOASA-N 2 2 353.510 4.428 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(-c3ccccc3)no2)C1 ZINC000506475063 1101108546 /nfs/dbraw/zinc/10/85/46/1101108546.db2.gz RWPXPQOOUAKRGX-OALUTQOASA-N 2 2 353.510 4.428 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000506475063 1101108551 /nfs/dbraw/zinc/10/85/51/1101108551.db2.gz RWPXPQOOUAKRGX-OALUTQOASA-N 2 2 353.510 4.428 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000506475063 1101108555 /nfs/dbraw/zinc/10/85/55/1101108555.db2.gz RWPXPQOOUAKRGX-OALUTQOASA-N 2 2 353.510 4.428 20 0 FIADLP Clc1ccc(C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccn2)cc1 ZINC000537096331 1101445306 /nfs/dbraw/zinc/44/53/06/1101445306.db2.gz PVDLHHVFMVOEIY-JOCHJYFZSA-N 2 2 369.940 4.483 20 0 FIADLP C[C@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000178719062 1101531449 /nfs/dbraw/zinc/53/14/49/1101531449.db2.gz ZNWRPSIYXLWGQH-HRAATJIYSA-N 2 2 374.488 4.161 20 0 FIADLP C[C@@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000178719075 1101534248 /nfs/dbraw/zinc/53/42/48/1101534248.db2.gz ZNWRPSIYXLWGQH-IIBYNOLFSA-N 2 2 374.488 4.161 20 0 FIADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3cccc(F)c3)s2)C[C@H](C)O1 ZINC000509610689 1101560147 /nfs/dbraw/zinc/56/01/47/1101560147.db2.gz XFILMWDZZJWEIQ-IYBDPMFKSA-N 2 2 362.514 4.143 20 0 FIADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3cccc(F)c3)s2)C[C@H](C)O1 ZINC000509610689 1101560155 /nfs/dbraw/zinc/56/01/55/1101560155.db2.gz XFILMWDZZJWEIQ-IYBDPMFKSA-N 2 2 362.514 4.143 20 0 FIADLP CC(C)[N@H+](CCCn1cc[nH+]c1)Cc1cc(Br)ccc1F ZINC000537254616 1101589603 /nfs/dbraw/zinc/58/96/03/1101589603.db2.gz UYEGEZNAAGKBNH-UHFFFAOYSA-N 2 2 354.267 4.085 20 0 FIADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Br)ccc1F ZINC000537254616 1101589611 /nfs/dbraw/zinc/58/96/11/1101589611.db2.gz UYEGEZNAAGKBNH-UHFFFAOYSA-N 2 2 354.267 4.085 20 0 FIADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000439683218 1101675266 /nfs/dbraw/zinc/67/52/66/1101675266.db2.gz HMPOOHURJWLELA-LJQANCHMSA-N 2 2 350.510 4.011 20 0 FIADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000439683218 1101675272 /nfs/dbraw/zinc/67/52/72/1101675272.db2.gz HMPOOHURJWLELA-LJQANCHMSA-N 2 2 350.510 4.011 20 0 FIADLP Clc1ccc([C@@H](Cc2cccnc2)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000546165030 1101993384 /nfs/dbraw/zinc/99/33/84/1101993384.db2.gz QGLINDHUFSDCHJ-HXUWFJFHSA-N 2 2 354.885 4.285 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCSc4ccccc43)[nH+]c2)CC1 ZINC000537486060 1102165907 /nfs/dbraw/zinc/16/59/07/1102165907.db2.gz CBZJHYMBWFXIOL-LJQANCHMSA-N 2 2 368.550 4.261 20 0 FIADLP Cc1cnc([C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C2CC2)s1 ZINC000120881738 1102262055 /nfs/dbraw/zinc/26/20/55/1102262055.db2.gz JVQSFRODIPYHGI-HXUWFJFHSA-N 2 2 355.551 4.199 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000120914899 1102279647 /nfs/dbraw/zinc/27/96/47/1102279647.db2.gz IQNQDYNAIMXSII-MRXNPFEDSA-N 3 2 366.484 4.232 20 0 FIADLP CCC[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccsc1 ZINC000187672648 1102300364 /nfs/dbraw/zinc/30/03/64/1102300364.db2.gz NBAUXDWOZRRWGI-HXUWFJFHSA-N 2 2 374.550 4.090 20 0 FIADLP Brc1cc2c(s1)CC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000550797031 1102327540 /nfs/dbraw/zinc/32/75/40/1102327540.db2.gz JSQGDKUSNXJAOI-YIZWMMSDSA-N 2 2 355.345 4.104 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC000550797546 1102329777 /nfs/dbraw/zinc/32/97/77/1102329777.db2.gz RXVRJZKYRODOAK-UCLAIMLFSA-N 2 2 374.326 4.330 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC000550797546 1102329789 /nfs/dbraw/zinc/32/97/89/1102329789.db2.gz RXVRJZKYRODOAK-UCLAIMLFSA-N 2 2 374.326 4.330 20 0 FIADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000532448905 1102337803 /nfs/dbraw/zinc/33/78/03/1102337803.db2.gz OKSWQVYLEOQVFX-MRXNPFEDSA-N 2 2 354.523 4.370 20 0 FIADLP CC1CCC([N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)CC1 ZINC001168214592 1102491988 /nfs/dbraw/zinc/49/19/88/1102491988.db2.gz BNISOUDPGPQPIL-UHFFFAOYSA-N 2 2 353.510 4.243 20 0 FIADLP CC1CCC([N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)CC1 ZINC001168214592 1102491992 /nfs/dbraw/zinc/49/19/92/1102491992.db2.gz BNISOUDPGPQPIL-UHFFFAOYSA-N 2 2 353.510 4.243 20 0 FIADLP CC1CCC([NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)CC1 ZINC001168214592 1102491995 /nfs/dbraw/zinc/49/19/95/1102491995.db2.gz BNISOUDPGPQPIL-UHFFFAOYSA-N 2 2 353.510 4.243 20 0 FIADLP CC1CCC([NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)CC1 ZINC001168214592 1102491997 /nfs/dbraw/zinc/49/19/97/1102491997.db2.gz BNISOUDPGPQPIL-UHFFFAOYSA-N 2 2 353.510 4.243 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C[C@@H]1c1ccccc1 ZINC000551169977 1102945357 /nfs/dbraw/zinc/94/53/57/1102945357.db2.gz NXFZFSXXMGQOOF-VQTJNVASSA-N 2 2 356.897 4.200 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C[C@@H]1c1ccccc1 ZINC000551169977 1102945362 /nfs/dbraw/zinc/94/53/62/1102945362.db2.gz NXFZFSXXMGQOOF-VQTJNVASSA-N 2 2 356.897 4.200 20 0 FIADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(Cl)nc1 ZINC000179132408 1102949662 /nfs/dbraw/zinc/94/96/62/1102949662.db2.gz KSYRVPYVYSLONI-HNNXBMFYSA-N 2 2 358.917 4.121 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000551175192 1102950037 /nfs/dbraw/zinc/95/00/37/1102950037.db2.gz IDNABXXJGTXBTC-HKBOAZHASA-N 2 2 358.913 4.453 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000551175192 1102950041 /nfs/dbraw/zinc/95/00/41/1102950041.db2.gz IDNABXXJGTXBTC-HKBOAZHASA-N 2 2 358.913 4.453 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000537696225 1102951924 /nfs/dbraw/zinc/95/19/24/1102951924.db2.gz FELYXBIDLRHNEX-UWJYYQICSA-N 2 2 372.944 4.059 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000537696225 1102951927 /nfs/dbraw/zinc/95/19/27/1102951927.db2.gz FELYXBIDLRHNEX-UWJYYQICSA-N 2 2 372.944 4.059 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000537696225 1102951931 /nfs/dbraw/zinc/95/19/31/1102951931.db2.gz FELYXBIDLRHNEX-UWJYYQICSA-N 2 2 372.944 4.059 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000537696225 1102951935 /nfs/dbraw/zinc/95/19/35/1102951935.db2.gz FELYXBIDLRHNEX-UWJYYQICSA-N 2 2 372.944 4.059 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000476979066 1102992330 /nfs/dbraw/zinc/99/23/30/1102992330.db2.gz DHHBHFCTKVPYDX-GOSISDBHSA-N 2 2 368.525 4.213 20 0 FIADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000476979066 1102992336 /nfs/dbraw/zinc/99/23/36/1102992336.db2.gz DHHBHFCTKVPYDX-GOSISDBHSA-N 2 2 368.525 4.213 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cn1 ZINC000551394637 1103177490 /nfs/dbraw/zinc/17/74/90/1103177490.db2.gz KHSLHNBYJBHNME-KXBFYZLASA-N 2 2 363.427 4.101 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cn1 ZINC000551394637 1103177493 /nfs/dbraw/zinc/17/74/93/1103177493.db2.gz KHSLHNBYJBHNME-KXBFYZLASA-N 2 2 363.427 4.101 20 0 FIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000532828637 1103245998 /nfs/dbraw/zinc/24/59/98/1103245998.db2.gz MVTKQCVMGBPBDD-LLVKDONJSA-N 2 2 367.305 4.492 20 0 FIADLP CC1(C)[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C[C@H]1Oc1ccccc1 ZINC000551538966 1103339362 /nfs/dbraw/zinc/33/93/62/1103339362.db2.gz PEYANSULLFZHIL-FGZHOGPDSA-N 2 2 361.489 4.267 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2SCCc3ccccc32)CC1 ZINC000507489035 1103434961 /nfs/dbraw/zinc/43/49/61/1103434961.db2.gz VYEMCGRZKSRTMB-KRWDZBQOSA-N 2 2 358.473 4.023 20 0 FIADLP c1cc([C@H]2CCC[NH+]2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cs1 ZINC000551694061 1103519704 /nfs/dbraw/zinc/51/97/04/1103519704.db2.gz MEHWZFHOXSPPQN-NHCUHLMSSA-N 2 2 356.535 4.176 20 0 FIADLP c1cc([C@H]2CCC[NH+]2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000551694061 1103519715 /nfs/dbraw/zinc/51/97/15/1103519715.db2.gz MEHWZFHOXSPPQN-NHCUHLMSSA-N 2 2 356.535 4.176 20 0 FIADLP c1cc([C@H]2CCC[N@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cs1 ZINC000551694061 1103519726 /nfs/dbraw/zinc/51/97/26/1103519726.db2.gz MEHWZFHOXSPPQN-NHCUHLMSSA-N 2 2 356.535 4.176 20 0 FIADLP c1cc([C@H]2CCC[N@@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cs1 ZINC000551694061 1103519733 /nfs/dbraw/zinc/51/97/33/1103519733.db2.gz MEHWZFHOXSPPQN-NHCUHLMSSA-N 2 2 356.535 4.176 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]CCCCCOc2ccccc2)CC1 ZINC000188166817 1104055382 /nfs/dbraw/zinc/05/53/82/1104055382.db2.gz COFGMLCQSAAALM-HXUWFJFHSA-N 2 2 367.537 4.446 20 0 FIADLP COC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000520281459 1104221567 /nfs/dbraw/zinc/22/15/67/1104221567.db2.gz YBTLTAZNNQFNKF-QFIPXVFZSA-N 2 2 372.940 4.324 20 0 FIADLP C[C@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1cccc(Cl)c1 ZINC000189825158 1105095443 /nfs/dbraw/zinc/09/54/43/1105095443.db2.gz UKEIKBGCYWYYSP-GOSISDBHSA-N 2 2 371.956 4.477 20 0 FIADLP C[C@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1cccc(Cl)c1 ZINC000189825158 1105095447 /nfs/dbraw/zinc/09/54/47/1105095447.db2.gz UKEIKBGCYWYYSP-GOSISDBHSA-N 2 2 371.956 4.477 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCc3ncc(C(F)(F)F)cc31)CCC2 ZINC000427710518 1105255041 /nfs/dbraw/zinc/25/50/41/1105255041.db2.gz FJVOSMZSIKXXOK-CJNGLKHVSA-N 2 2 364.415 4.150 20 0 FIADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000427847348 1105293915 /nfs/dbraw/zinc/29/39/15/1105293915.db2.gz KBGZJWOKLQAJDQ-DNVCBOLYSA-N 2 2 374.960 4.359 20 0 FIADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000427870039 1105304687 /nfs/dbraw/zinc/30/46/87/1105304687.db2.gz URMILUQRFYEKKE-WBVHZDCISA-N 2 2 351.425 4.480 20 0 FIADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000427870037 1105305024 /nfs/dbraw/zinc/30/50/24/1105305024.db2.gz URMILUQRFYEKKE-NVXWUHKLSA-N 2 2 351.425 4.480 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccsc1Br ZINC000529566221 1105338362 /nfs/dbraw/zinc/33/83/62/1105338362.db2.gz BRXYFLPHLGFWOO-UHFFFAOYSA-N 2 2 356.333 4.182 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccsc1Br ZINC000529566221 1105338369 /nfs/dbraw/zinc/33/83/69/1105338369.db2.gz BRXYFLPHLGFWOO-UHFFFAOYSA-N 2 2 356.333 4.182 20 0 FIADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451021972 1106876267 /nfs/dbraw/zinc/87/62/67/1106876267.db2.gz RLBFGJDYHCCABP-SFHVURJKSA-N 2 2 357.889 4.339 20 0 FIADLP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451021972 1106876289 /nfs/dbraw/zinc/87/62/89/1106876289.db2.gz RLBFGJDYHCCABP-SFHVURJKSA-N 2 2 357.889 4.339 20 0 FIADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451021972 1106876310 /nfs/dbraw/zinc/87/63/10/1106876310.db2.gz RLBFGJDYHCCABP-SFHVURJKSA-N 2 2 357.889 4.339 20 0 FIADLP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451021972 1106876329 /nfs/dbraw/zinc/87/63/29/1106876329.db2.gz RLBFGJDYHCCABP-SFHVURJKSA-N 2 2 357.889 4.339 20 0 FIADLP C[N@@H+]1CCC[C@H](CNc2cc(N3CCCCC3)[nH+]cn2)[C@@H]1c1cccs1 ZINC000301426685 1107027135 /nfs/dbraw/zinc/02/71/35/1107027135.db2.gz PDHVRBBPWGSWLQ-OXQOHEQNSA-N 2 2 371.554 4.023 20 0 FIADLP C[N@H+]1CCC[C@H](CNc2cc(N3CCCCC3)[nH+]cn2)[C@@H]1c1cccs1 ZINC000301426685 1107027150 /nfs/dbraw/zinc/02/71/50/1107027150.db2.gz PDHVRBBPWGSWLQ-OXQOHEQNSA-N 2 2 371.554 4.023 20 0 FIADLP C[N@@H+]1CCC[C@H](CNc2cc(N3CCCCC3)nc[nH+]2)[C@@H]1c1cccs1 ZINC000301426685 1107027165 /nfs/dbraw/zinc/02/71/65/1107027165.db2.gz PDHVRBBPWGSWLQ-OXQOHEQNSA-N 2 2 371.554 4.023 20 0 FIADLP C[N@H+]1CCC[C@H](CNc2cc(N3CCCCC3)nc[nH+]2)[C@@H]1c1cccs1 ZINC000301426685 1107027180 /nfs/dbraw/zinc/02/71/80/1107027180.db2.gz PDHVRBBPWGSWLQ-OXQOHEQNSA-N 2 2 371.554 4.023 20 0 FIADLP COc1cc(C)c([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1C ZINC000544384293 1107202096 /nfs/dbraw/zinc/20/20/96/1107202096.db2.gz LFINPDMLJNUJJQ-HKUYNNGSSA-N 2 2 368.525 4.020 20 0 FIADLP Cc1ccc2[nH+]ccc(NC[C@H](c3cccs3)[NH+]3CCOCC3)c2c1 ZINC000302144870 1107317540 /nfs/dbraw/zinc/31/75/40/1107317540.db2.gz HCEKSBZMBQVKCT-LJQANCHMSA-N 2 2 353.491 4.090 20 0 FIADLP Cc1ccc(-n2cc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000531582204 1107998945 /nfs/dbraw/zinc/99/89/45/1107998945.db2.gz JQPALXIEXJTOLB-HKUYNNGSSA-N 2 2 354.542 4.051 20 0 FIADLP Cc1ccc(-n2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000531582204 1107998949 /nfs/dbraw/zinc/99/89/49/1107998949.db2.gz JQPALXIEXJTOLB-HKUYNNGSSA-N 2 2 354.542 4.051 20 0 FIADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000531735731 1108105892 /nfs/dbraw/zinc/10/58/92/1108105892.db2.gz WQGYSGNTMVLRAX-GPCCPHFNSA-N 2 2 367.267 4.413 20 0 FIADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000531735731 1108105900 /nfs/dbraw/zinc/10/59/00/1108105900.db2.gz WQGYSGNTMVLRAX-GPCCPHFNSA-N 2 2 367.267 4.413 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)CC1 ZINC000531719252 1108112627 /nfs/dbraw/zinc/11/26/27/1108112627.db2.gz FKQBEOUQTHJCNO-SESVDKBCSA-N 2 2 358.570 4.438 20 0 FIADLP CCn1ccnc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000453061132 1108139122 /nfs/dbraw/zinc/13/91/22/1108139122.db2.gz KZNIPLIJLOBAIF-CEXWTWQISA-N 2 2 354.542 4.232 20 0 FIADLP CCn1ccnc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000453061132 1108139127 /nfs/dbraw/zinc/13/91/27/1108139127.db2.gz KZNIPLIJLOBAIF-CEXWTWQISA-N 2 2 354.542 4.232 20 0 FIADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000453235411 1108309217 /nfs/dbraw/zinc/30/92/17/1108309217.db2.gz LMJRJCDPBNWLLL-HOTGVXAUSA-N 2 2 369.900 4.075 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453250742 1108323691 /nfs/dbraw/zinc/32/36/91/1108323691.db2.gz YXNSIOYEABEDOD-KBJGYGKASA-N 2 2 371.475 4.237 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453250742 1108323704 /nfs/dbraw/zinc/32/37/04/1108323704.db2.gz YXNSIOYEABEDOD-KBJGYGKASA-N 2 2 371.475 4.237 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)c1ccccc1 ZINC000453327845 1108383857 /nfs/dbraw/zinc/38/38/57/1108383857.db2.gz OYQDDTDQKUNLIY-HSZRJFAPSA-N 2 2 365.521 4.350 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H]3C(C)(C)C)CC2)cc1 ZINC000453320333 1108409635 /nfs/dbraw/zinc/40/96/35/1108409635.db2.gz FIULVZOQRCYRAJ-SFTDATJTSA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3sccc3C)CC2)cc1 ZINC000453323969 1108416707 /nfs/dbraw/zinc/41/67/07/1108416707.db2.gz KHIUKOOCGQTPKL-MRXNPFEDSA-N 2 2 371.550 4.330 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1sccc1Br)CCC2 ZINC000531988242 1108472315 /nfs/dbraw/zinc/47/23/15/1108472315.db2.gz QGAQIHGHWUROIM-NWDGAFQWSA-N 2 2 354.317 4.244 20 0 FIADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)o1 ZINC000532210915 1108713145 /nfs/dbraw/zinc/71/31/45/1108713145.db2.gz DHMPQOFENDTCAJ-KKSFZXQISA-N 2 2 356.485 4.339 20 0 FIADLP COc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1OCCC(C)C ZINC000525181782 1109293876 /nfs/dbraw/zinc/29/38/76/1109293876.db2.gz PFQBBGNLFDOYQA-LJQANCHMSA-N 2 2 371.525 4.292 20 0 FIADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Br)cc1Cl ZINC000446743119 1109325760 /nfs/dbraw/zinc/32/57/60/1109325760.db2.gz TWGJPJSHTQVNNK-NHYWBVRUSA-N 2 2 356.695 4.428 20 0 FIADLP CCCOc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1OC ZINC000447079043 1109429807 /nfs/dbraw/zinc/42/98/07/1109429807.db2.gz WOIYBYFVWOSZES-UHFFFAOYSA-N 2 2 370.493 4.231 20 0 FIADLP CCCCOc1cc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)ccc1OC ZINC000525695308 1109486004 /nfs/dbraw/zinc/48/60/04/1109486004.db2.gz PBUKGPFSVVEUDZ-GOSISDBHSA-N 2 2 357.498 4.046 20 0 FIADLP C[N@@H+](Cc1ccccc1OC(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525781013 1109516972 /nfs/dbraw/zinc/51/69/72/1109516972.db2.gz GCGVTPKXFXPQCZ-SFHVURJKSA-N 2 2 360.448 4.242 20 0 FIADLP C[N@H+](Cc1ccccc1OC(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525781013 1109516975 /nfs/dbraw/zinc/51/69/75/1109516975.db2.gz GCGVTPKXFXPQCZ-SFHVURJKSA-N 2 2 360.448 4.242 20 0 FIADLP C[NH+](Cc1ccccc1OC(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525781013 1109516978 /nfs/dbraw/zinc/51/69/78/1109516978.db2.gz GCGVTPKXFXPQCZ-SFHVURJKSA-N 2 2 360.448 4.242 20 0 FIADLP C[NH+](Cc1ccccc1OC(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525781013 1109516982 /nfs/dbraw/zinc/51/69/82/1109516982.db2.gz GCGVTPKXFXPQCZ-SFHVURJKSA-N 2 2 360.448 4.242 20 0 FIADLP CCCOc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000525997927 1109578432 /nfs/dbraw/zinc/57/84/32/1109578432.db2.gz ZDSQBNZHFQBZDY-UHFFFAOYSA-N 2 2 370.459 4.370 20 0 FIADLP Brc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)C2CC2)s1 ZINC000527373157 1109753681 /nfs/dbraw/zinc/75/36/81/1109753681.db2.gz HHBDHKKNJLPDER-OAHLLOKOSA-N 2 2 354.317 4.228 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)c(Br)cc1F ZINC000527750592 1109821176 /nfs/dbraw/zinc/82/11/76/1109821176.db2.gz AOJXAOHTFHUAFS-TUAOUCFPSA-N 2 2 359.258 4.005 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)c(Br)cc1F ZINC000527750592 1109821182 /nfs/dbraw/zinc/82/11/82/1109821182.db2.gz AOJXAOHTFHUAFS-TUAOUCFPSA-N 2 2 359.258 4.005 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000527925341 1109856712 /nfs/dbraw/zinc/85/67/12/1109856712.db2.gz AHRHVBXPPJBLTN-YADARESESA-N 2 2 363.549 4.077 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000527925341 1109856715 /nfs/dbraw/zinc/85/67/15/1109856715.db2.gz AHRHVBXPPJBLTN-YADARESESA-N 2 2 363.549 4.077 20 0 FIADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CC[NH+]2C2CCCC2)CC1 ZINC000527999160 1109881447 /nfs/dbraw/zinc/88/14/47/1109881447.db2.gz FOAIMIZCOASFDK-BBHUYCHWSA-N 3 2 355.570 4.036 20 0 FIADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CC[NH+]2C2CCCC2)CC1 ZINC000527999160 1109881450 /nfs/dbraw/zinc/88/14/50/1109881450.db2.gz FOAIMIZCOASFDK-BBHUYCHWSA-N 3 2 355.570 4.036 20 0 FIADLP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527999160 1109881455 /nfs/dbraw/zinc/88/14/55/1109881455.db2.gz FOAIMIZCOASFDK-BBHUYCHWSA-N 3 2 355.570 4.036 20 0 FIADLP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527999160 1109881458 /nfs/dbraw/zinc/88/14/58/1109881458.db2.gz FOAIMIZCOASFDK-BBHUYCHWSA-N 3 2 355.570 4.036 20 0 FIADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528011456 1109885466 /nfs/dbraw/zinc/88/54/66/1109885466.db2.gz LJDLWKYTZCRYBT-DYESRHJHSA-N 2 2 372.557 4.228 20 0 FIADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528011456 1109885471 /nfs/dbraw/zinc/88/54/71/1109885471.db2.gz LJDLWKYTZCRYBT-DYESRHJHSA-N 2 2 372.557 4.228 20 0 FIADLP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000449070798 1109972554 /nfs/dbraw/zinc/97/25/54/1109972554.db2.gz LKRNDJRGAHGQOB-PGRDOPGGSA-N 2 2 371.594 4.036 20 0 FIADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](c2ccsc2)N(C)C)CC1 ZINC000449070798 1109972556 /nfs/dbraw/zinc/97/25/56/1109972556.db2.gz LKRNDJRGAHGQOB-PGRDOPGGSA-N 2 2 371.594 4.036 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[C@H](C)O1 ZINC000449128618 1109981688 /nfs/dbraw/zinc/98/16/88/1109981688.db2.gz STVKQYIRYHQWRE-STSQHVNTSA-N 2 2 361.489 4.254 20 0 FIADLP C[N@@H+](Cc1cccnc1C(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000528398487 1109982517 /nfs/dbraw/zinc/98/25/17/1109982517.db2.gz XFZZDAVXANJIRW-QGZVFWFLSA-N 2 2 363.427 4.054 20 0 FIADLP C[N@H+](Cc1cccnc1C(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000528398487 1109982519 /nfs/dbraw/zinc/98/25/19/1109982519.db2.gz XFZZDAVXANJIRW-QGZVFWFLSA-N 2 2 363.427 4.054 20 0 FIADLP C[NH+](Cc1cccnc1C(F)(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528398487 1109982520 /nfs/dbraw/zinc/98/25/20/1109982520.db2.gz XFZZDAVXANJIRW-QGZVFWFLSA-N 2 2 363.427 4.054 20 0 FIADLP C[NH+](Cc1cccnc1C(F)(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528398487 1109982522 /nfs/dbraw/zinc/98/25/22/1109982522.db2.gz XFZZDAVXANJIRW-QGZVFWFLSA-N 2 2 363.427 4.054 20 0 FIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000449149312 1109985913 /nfs/dbraw/zinc/98/59/13/1109985913.db2.gz NGYJDAVVVCTHDL-SFHVURJKSA-N 2 2 352.526 4.313 20 0 FIADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449283813 1110015616 /nfs/dbraw/zinc/01/56/16/1110015616.db2.gz MRXOXINDMURBTH-ZDUSSCGKSA-N 2 2 351.466 4.004 20 0 FIADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449283813 1110015622 /nfs/dbraw/zinc/01/56/22/1110015622.db2.gz MRXOXINDMURBTH-ZDUSSCGKSA-N 2 2 351.466 4.004 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000449520943 1110097866 /nfs/dbraw/zinc/09/78/66/1110097866.db2.gz GBMQKKFRPLGJCG-PXNSSMCTSA-N 2 2 357.542 4.025 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H](C4CC4)C3)CC2)cc1 ZINC000449523004 1110098738 /nfs/dbraw/zinc/09/87/38/1110098738.db2.gz KJMVREKNQBQNBY-REWPJTCUSA-N 2 2 369.553 4.168 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC(C)(C)C[C@H]3C)CC2)cc1 ZINC000449523569 1110098916 /nfs/dbraw/zinc/09/89/16/1110098916.db2.gz LUZLNQGUCVIQLW-VGOFRKELSA-N 2 2 371.569 4.414 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3C3CC3)CC2)cc1 ZINC000449525416 1110099203 /nfs/dbraw/zinc/09/92/03/1110099203.db2.gz RWWVYUTVIZDZOL-XZOQPEGZSA-N 2 2 369.553 4.168 20 0 FIADLP CC[N@@H+](Cc1cccc(C(C)=O)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000450458065 1110300638 /nfs/dbraw/zinc/30/06/38/1110300638.db2.gz TWGMKJHOQFXYQZ-UHFFFAOYSA-N 2 2 351.494 4.023 20 0 FIADLP CC[N@H+](Cc1cccc(C(C)=O)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000450458065 1110300640 /nfs/dbraw/zinc/30/06/40/1110300640.db2.gz TWGMKJHOQFXYQZ-UHFFFAOYSA-N 2 2 351.494 4.023 20 0 FIADLP CC(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000450476766 1110302797 /nfs/dbraw/zinc/30/27/97/1110302797.db2.gz RLFQWHJYQCWXAX-WZONZLPQSA-N 2 2 350.506 4.374 20 0 FIADLP CC(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000450476766 1110302800 /nfs/dbraw/zinc/30/28/00/1110302800.db2.gz RLFQWHJYQCWXAX-WZONZLPQSA-N 2 2 350.506 4.374 20 0 FIADLP CC(=O)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000450476766 1110302801 /nfs/dbraw/zinc/30/28/01/1110302801.db2.gz RLFQWHJYQCWXAX-WZONZLPQSA-N 2 2 350.506 4.374 20 0 FIADLP CC(=O)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000450476766 1110302803 /nfs/dbraw/zinc/30/28/03/1110302803.db2.gz RLFQWHJYQCWXAX-WZONZLPQSA-N 2 2 350.506 4.374 20 0 FIADLP CC(C)c1nnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)s1 ZINC000450494001 1110306417 /nfs/dbraw/zinc/30/64/17/1110306417.db2.gz IBGKSBKASOYFKN-MRXNPFEDSA-N 2 2 350.576 4.138 20 0 FIADLP CC(C)c1nnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)s1 ZINC000450494001 1110306418 /nfs/dbraw/zinc/30/64/18/1110306418.db2.gz IBGKSBKASOYFKN-MRXNPFEDSA-N 2 2 350.576 4.138 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000538395670 1111123014 /nfs/dbraw/zinc/12/30/14/1111123014.db2.gz JGYNVPGZBKHDHD-LSDHHAIUSA-N 2 2 369.347 4.229 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(Br)c1 ZINC000538395670 1111123016 /nfs/dbraw/zinc/12/30/16/1111123016.db2.gz JGYNVPGZBKHDHD-LSDHHAIUSA-N 2 2 369.347 4.229 20 0 FIADLP CC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1F ZINC000538557713 1111192732 /nfs/dbraw/zinc/19/27/32/1111192732.db2.gz KMPVIWHNKWXRIL-VQIMIIECSA-N 2 2 360.452 4.063 20 0 FIADLP CC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1F ZINC000538557712 1111192915 /nfs/dbraw/zinc/19/29/15/1111192915.db2.gz KMPVIWHNKWXRIL-QFBILLFUSA-N 2 2 360.452 4.063 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCCCc4ccccc43)[nH+]c2)CC1 ZINC000538587339 1111196083 /nfs/dbraw/zinc/19/60/83/1111196083.db2.gz QTSSGGOTNXSHOO-QFIPXVFZSA-N 2 2 364.537 4.492 20 0 FIADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000538723675 1111262906 /nfs/dbraw/zinc/26/29/06/1111262906.db2.gz SCADOXQVQRUGGM-CQSZACIVSA-N 2 2 369.336 4.433 20 0 FIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000538723675 1111262910 /nfs/dbraw/zinc/26/29/10/1111262910.db2.gz SCADOXQVQRUGGM-CQSZACIVSA-N 2 2 369.336 4.433 20 0 FIADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000538723675 1111262913 /nfs/dbraw/zinc/26/29/13/1111262913.db2.gz SCADOXQVQRUGGM-CQSZACIVSA-N 2 2 369.336 4.433 20 0 FIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000538723675 1111262915 /nfs/dbraw/zinc/26/29/15/1111262915.db2.gz SCADOXQVQRUGGM-CQSZACIVSA-N 2 2 369.336 4.433 20 0 FIADLP Cc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(OC(F)F)cc1C ZINC000538750092 1111280658 /nfs/dbraw/zinc/28/06/58/1111280658.db2.gz AACYZXVKLFNFPM-QGZVFWFLSA-N 2 2 352.469 4.069 20 0 FIADLP Cc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(OC(F)F)cc1C ZINC000538750092 1111280663 /nfs/dbraw/zinc/28/06/63/1111280663.db2.gz AACYZXVKLFNFPM-QGZVFWFLSA-N 2 2 352.469 4.069 20 0 FIADLP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(OC(F)F)cc1C ZINC000538750092 1111280668 /nfs/dbraw/zinc/28/06/68/1111280668.db2.gz AACYZXVKLFNFPM-QGZVFWFLSA-N 2 2 352.469 4.069 20 0 FIADLP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(OC(F)F)cc1C ZINC000538750092 1111280671 /nfs/dbraw/zinc/28/06/71/1111280671.db2.gz AACYZXVKLFNFPM-QGZVFWFLSA-N 2 2 352.469 4.069 20 0 FIADLP c1c[nH]c([C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2CCCCC2)n1 ZINC000552055239 1111559731 /nfs/dbraw/zinc/55/97/31/1111559731.db2.gz FQFNNOILXOBMCX-FPOVZHCZSA-N 2 2 352.526 4.143 20 0 FIADLP c1c[nH]c([C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CCCCC2)n1 ZINC000552055239 1111559732 /nfs/dbraw/zinc/55/97/32/1111559732.db2.gz FQFNNOILXOBMCX-FPOVZHCZSA-N 2 2 352.526 4.143 20 0 FIADLP COCc1ccccc1/C=C(\C)C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000552246439 1111636843 /nfs/dbraw/zinc/63/68/43/1111636843.db2.gz USOBVTSXVBRNBE-XDJHFCHBSA-N 2 2 368.521 4.426 20 0 FIADLP COCc1ccccc1/C=C(\C)C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000552246439 1111636844 /nfs/dbraw/zinc/63/68/44/1111636844.db2.gz USOBVTSXVBRNBE-XDJHFCHBSA-N 2 2 368.521 4.426 20 0 FIADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000552275397 1111655966 /nfs/dbraw/zinc/65/59/66/1111655966.db2.gz UXXGWICJGYKTJQ-IRXDYDNUSA-N 2 2 373.491 4.496 20 0 FIADLP CC(C)C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000479365527 1112001395 /nfs/dbraw/zinc/00/13/95/1112001395.db2.gz WHVDIGRKJOTDPQ-QGZVFWFLSA-N 2 2 350.304 4.413 20 0 FIADLP COc1ccc([C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccccc2)cc1 ZINC000479557443 1112071494 /nfs/dbraw/zinc/07/14/94/1112071494.db2.gz XYHUPWAOBMYVAA-YDPRHXJPSA-N 2 2 350.506 4.391 20 0 FIADLP C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480085844 1112271785 /nfs/dbraw/zinc/27/17/85/1112271785.db2.gz CXONFEDIYMVENO-RXVVDRJESA-N 2 2 364.493 4.343 20 0 FIADLP OCC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000554367005 1112319136 /nfs/dbraw/zinc/31/91/36/1112319136.db2.gz QNSXXLZQSQGIGD-JOCHJYFZSA-N 2 2 372.940 4.060 20 0 FIADLP Cc1csc(C2([NH2+][C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)CCC2)n1 ZINC000480193480 1112328495 /nfs/dbraw/zinc/32/84/95/1112328495.db2.gz RWTOQTQSPCTNCW-HKUYNNGSSA-N 2 2 355.551 4.331 20 0 FIADLP Cc1csc(C2([NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CCC2)n1 ZINC000480193480 1112328498 /nfs/dbraw/zinc/32/84/98/1112328498.db2.gz RWTOQTQSPCTNCW-HKUYNNGSSA-N 2 2 355.551 4.331 20 0 FIADLP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480610037 1112500456 /nfs/dbraw/zinc/50/04/56/1112500456.db2.gz NFSXGSVCKLNXTF-ZCNNSNEGSA-N 3 2 354.542 4.281 20 0 FIADLP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480610037 1112500459 /nfs/dbraw/zinc/50/04/59/1112500459.db2.gz NFSXGSVCKLNXTF-ZCNNSNEGSA-N 3 2 354.542 4.281 20 0 FIADLP c1c(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)[nH]nc1-c1ccccc1 ZINC000554873175 1112539845 /nfs/dbraw/zinc/53/98/45/1112539845.db2.gz TXLFNPNVBCRKEH-XMMPIXPASA-N 2 2 372.516 4.175 20 0 FIADLP c1c(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)[nH]nc1-c1ccccc1 ZINC000554873175 1112539847 /nfs/dbraw/zinc/53/98/47/1112539847.db2.gz TXLFNPNVBCRKEH-XMMPIXPASA-N 2 2 372.516 4.175 20 0 FIADLP c1c(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH]nc1-c1ccccc1 ZINC000554873175 1112539855 /nfs/dbraw/zinc/53/98/55/1112539855.db2.gz TXLFNPNVBCRKEH-XMMPIXPASA-N 2 2 372.516 4.175 20 0 FIADLP c1c(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[nH]nc1-c1ccccc1 ZINC000554873175 1112539861 /nfs/dbraw/zinc/53/98/61/1112539861.db2.gz TXLFNPNVBCRKEH-XMMPIXPASA-N 2 2 372.516 4.175 20 0 FIADLP Brc1cccc(-c2ccc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)o2)c1 ZINC000554982368 1112607387 /nfs/dbraw/zinc/60/73/87/1112607387.db2.gz LANYEPVATBFCJS-AWEZNQCLSA-N 2 2 372.266 4.079 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c(OC)c1 ZINC000481318191 1112890099 /nfs/dbraw/zinc/89/00/99/1112890099.db2.gz ZYARKCZVEBXGSG-SFHVURJKSA-N 2 2 368.521 4.327 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c(OC)c1 ZINC000481318187 1112890844 /nfs/dbraw/zinc/89/08/44/1112890844.db2.gz ZYARKCZVEBXGSG-GOSISDBHSA-N 2 2 368.521 4.327 20 0 FIADLP Brc1ccccc1C[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000555773942 1112992744 /nfs/dbraw/zinc/99/27/44/1112992744.db2.gz ZEOARPDQMSSWCQ-QGZVFWFLSA-N 2 2 362.315 4.133 20 0 FIADLP Brc1ccccc1C[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000555773942 1112992745 /nfs/dbraw/zinc/99/27/45/1112992745.db2.gz ZEOARPDQMSSWCQ-QGZVFWFLSA-N 2 2 362.315 4.133 20 0 FIADLP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000481943038 1113135801 /nfs/dbraw/zinc/13/58/01/1113135801.db2.gz DYASQBIGVUHUCK-ILWGZMRPSA-N 2 2 369.553 4.163 20 0 FIADLP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000481943038 1113135806 /nfs/dbraw/zinc/13/58/06/1113135806.db2.gz DYASQBIGVUHUCK-ILWGZMRPSA-N 2 2 369.553 4.163 20 0 FIADLP Brc1ccccc1C1([NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC001168366358 1113143511 /nfs/dbraw/zinc/14/35/11/1113143511.db2.gz PFHNXOOVSPFWNS-UHFFFAOYSA-N 2 2 363.343 4.292 20 0 FIADLP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]CCCCNc1cccc[nH+]1)CC2 ZINC000482246786 1113210004 /nfs/dbraw/zinc/21/00/04/1113210004.db2.gz LCGMZZDXEBCVFI-QGZVFWFLSA-N 2 2 365.399 4.449 20 0 FIADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2Br)C1 ZINC000482364585 1113233243 /nfs/dbraw/zinc/23/32/43/1113233243.db2.gz YVFONDWUSDEQSE-UONOGXRCSA-N 2 2 357.311 4.359 20 0 FIADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2Br)C1 ZINC000482364585 1113233245 /nfs/dbraw/zinc/23/32/45/1113233245.db2.gz YVFONDWUSDEQSE-UONOGXRCSA-N 2 2 357.311 4.359 20 0 FIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)c1ccccc1 ZINC000482452709 1113263899 /nfs/dbraw/zinc/26/38/99/1113263899.db2.gz UHBSIZSCPYXXCA-FDDCHVKYSA-N 2 2 368.521 4.077 20 0 FIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)c1ccccc1 ZINC000482452709 1113263904 /nfs/dbraw/zinc/26/39/04/1113263904.db2.gz UHBSIZSCPYXXCA-FDDCHVKYSA-N 2 2 368.521 4.077 20 0 FIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000482460279 1113267889 /nfs/dbraw/zinc/26/78/89/1113267889.db2.gz XUCZGXHUQDVBNG-VXKWHMMOSA-N 2 2 356.485 4.112 20 0 FIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000482460279 1113267894 /nfs/dbraw/zinc/26/78/94/1113267894.db2.gz XUCZGXHUQDVBNG-VXKWHMMOSA-N 2 2 356.485 4.112 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1OC(F)F ZINC000483124816 1113446808 /nfs/dbraw/zinc/44/68/08/1113446808.db2.gz HTNYMQOSCFUXDI-CYBMUJFWSA-N 2 2 361.367 4.464 20 0 FIADLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(OC)c(OC)c1 ZINC000483145234 1113453563 /nfs/dbraw/zinc/45/35/63/1113453563.db2.gz OOLCXBLPXCATTE-IBGZPJMESA-N 2 2 351.450 4.130 20 0 FIADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CC3 ZINC000486514376 1113585976 /nfs/dbraw/zinc/58/59/76/1113585976.db2.gz DNEXTBKEXYQOJK-SFHVURJKSA-N 2 2 356.473 4.309 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000486720017 1113629037 /nfs/dbraw/zinc/62/90/37/1113629037.db2.gz IFLNRUMYNBDXKA-OAHLLOKOSA-N 2 2 352.457 4.017 20 0 FIADLP CCOc1c(Cl)cccc1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000486934802 1113680097 /nfs/dbraw/zinc/68/00/97/1113680097.db2.gz HPJVLGUJUYHYSC-UHFFFAOYSA-N 2 2 355.869 4.273 20 0 FIADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CS1 ZINC000488448062 1113934072 /nfs/dbraw/zinc/93/40/72/1113934072.db2.gz LKJMRDRCJUUMHI-SXLOBPIMSA-N 2 2 362.583 4.006 20 0 FIADLP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2cc1C(C)C ZINC000150766329 1114112090 /nfs/dbraw/zinc/11/20/90/1114112090.db2.gz ZEIGGPBBMNYTCA-GOSISDBHSA-N 2 2 368.521 4.143 20 0 FIADLP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2cc1C(C)C ZINC000150766329 1114112093 /nfs/dbraw/zinc/11/20/93/1114112093.db2.gz ZEIGGPBBMNYTCA-GOSISDBHSA-N 2 2 368.521 4.143 20 0 FIADLP COCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(C)cc2C)CC1 ZINC000490110481 1114215707 /nfs/dbraw/zinc/21/57/07/1114215707.db2.gz BNGHIRMKBURXOL-HSZRJFAPSA-N 2 2 352.522 4.093 20 0 FIADLP COCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(C)cc2C)CC1 ZINC000490110482 1114215837 /nfs/dbraw/zinc/21/58/37/1114215837.db2.gz BNGHIRMKBURXOL-QHCPKHFHSA-N 2 2 352.522 4.093 20 0 FIADLP c1c(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)onc1-c1ccccc1 ZINC000491058330 1114367860 /nfs/dbraw/zinc/36/78/60/1114367860.db2.gz GLJLGCKZCCRFGA-LJQANCHMSA-N 2 2 353.510 4.430 20 0 FIADLP c1c(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)onc1-c1ccccc1 ZINC000491058330 1114367865 /nfs/dbraw/zinc/36/78/65/1114367865.db2.gz GLJLGCKZCCRFGA-LJQANCHMSA-N 2 2 353.510 4.430 20 0 FIADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)CO2 ZINC000571680117 1114490339 /nfs/dbraw/zinc/49/03/39/1114490339.db2.gz IZJBCKKDRABNRX-QUCCMNQESA-N 2 2 352.453 4.046 20 0 FIADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)CO2 ZINC000571680117 1114490341 /nfs/dbraw/zinc/49/03/41/1114490341.db2.gz IZJBCKKDRABNRX-QUCCMNQESA-N 2 2 352.453 4.046 20 0 FIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(C)nc2)cc1 ZINC000573018162 1115000534 /nfs/dbraw/zinc/00/05/34/1115000534.db2.gz BMGBPGQIBUIBFL-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(C)nc2)cc1 ZINC000573018162 1115000538 /nfs/dbraw/zinc/00/05/38/1115000538.db2.gz BMGBPGQIBUIBFL-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000573102550 1115050129 /nfs/dbraw/zinc/05/01/29/1115050129.db2.gz ORYOCYYYMUSDEO-MJGOQNOKSA-N 2 2 350.462 4.367 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000573102550 1115050131 /nfs/dbraw/zinc/05/01/31/1115050131.db2.gz ORYOCYYYMUSDEO-MJGOQNOKSA-N 2 2 350.462 4.367 20 0 FIADLP CC(C)(C)OC(=O)Nc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000760845244 1115112088 /nfs/dbraw/zinc/11/20/88/1115112088.db2.gz VWNNOXMKHILMIH-UHFFFAOYSA-N 2 2 356.470 4.136 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@H]1c1ccccc1 ZINC000574624089 1115429929 /nfs/dbraw/zinc/42/99/29/1115429929.db2.gz HOQPEPGMJRQEHT-GGAORHGYSA-N 3 2 355.570 4.209 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@H]1c1ccccc1 ZINC000574624089 1115429930 /nfs/dbraw/zinc/42/99/30/1115429930.db2.gz HOQPEPGMJRQEHT-GGAORHGYSA-N 3 2 355.570 4.209 20 0 FIADLP Clc1ccc(Cl)c(OCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000606447835 1115944748 /nfs/dbraw/zinc/94/47/48/1115944748.db2.gz ANMSSLREPCTTRZ-MRXNPFEDSA-N 2 2 357.325 4.323 20 0 FIADLP Clc1ccc(Cl)c(OCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000606447835 1115944749 /nfs/dbraw/zinc/94/47/49/1115944749.db2.gz ANMSSLREPCTTRZ-MRXNPFEDSA-N 2 2 357.325 4.323 20 0 FIADLP c1cn(Cc2ccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)cc2)c[nH+]1 ZINC000534355859 1116188315 /nfs/dbraw/zinc/18/83/15/1116188315.db2.gz ZGVQXBZVJUXHCP-GMAHTHKFSA-N 2 2 361.489 4.189 20 0 FIADLP Cc1nc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)oc1-c1ccc(Cl)cc1 ZINC000534758298 1116235214 /nfs/dbraw/zinc/23/52/14/1116235214.db2.gz YBHLEBZIQBYRBG-OAHLLOKOSA-N 2 2 356.857 4.026 20 0 FIADLP Cc1nc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)oc1-c1ccc(Cl)cc1 ZINC000534758298 1116235217 /nfs/dbraw/zinc/23/52/17/1116235217.db2.gz YBHLEBZIQBYRBG-OAHLLOKOSA-N 2 2 356.857 4.026 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(Cl)c(Br)c1)CCC2 ZINC000539531738 1116340766 /nfs/dbraw/zinc/34/07/66/1116340766.db2.gz ZTQVVZIWKSKIEY-ZDUSSCGKSA-N 2 2 368.706 4.275 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000539650387 1116358327 /nfs/dbraw/zinc/35/83/27/1116358327.db2.gz KHYPUXBELINAGZ-YLJYHZDGSA-N 2 2 364.489 4.047 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC[N@H+]1Cc1ccccc1 ZINC000539650387 1116358330 /nfs/dbraw/zinc/35/83/30/1116358330.db2.gz KHYPUXBELINAGZ-YLJYHZDGSA-N 2 2 364.489 4.047 20 0 FIADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)s1 ZINC000539659378 1116360687 /nfs/dbraw/zinc/36/06/87/1116360687.db2.gz OOIYXEARSVYGDA-JSGCOSHPSA-N 2 2 350.919 4.110 20 0 FIADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1Cl ZINC000539658798 1116360818 /nfs/dbraw/zinc/36/08/18/1116360818.db2.gz HVDQUAOYAYFAMN-XJKSGUPXSA-N 2 2 362.880 4.188 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@@H](C)C1 ZINC000539835170 1116388931 /nfs/dbraw/zinc/38/89/31/1116388931.db2.gz HSUCKNYYWSUSRN-YCRPNKLZSA-N 2 2 374.960 4.305 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@@H](C)C1 ZINC000539835170 1116388934 /nfs/dbraw/zinc/38/89/34/1116388934.db2.gz HSUCKNYYWSUSRN-YCRPNKLZSA-N 2 2 374.960 4.305 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@@H](C)C1 ZINC000539835170 1116388936 /nfs/dbraw/zinc/38/89/36/1116388936.db2.gz HSUCKNYYWSUSRN-YCRPNKLZSA-N 2 2 374.960 4.305 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@@H](C)C1 ZINC000539835170 1116388937 /nfs/dbraw/zinc/38/89/37/1116388937.db2.gz HSUCKNYYWSUSRN-YCRPNKLZSA-N 2 2 374.960 4.305 20 0 FIADLP CCc1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000539898386 1117740641 /nfs/dbraw/zinc/74/06/41/1117740641.db2.gz WCSUSBYJVWNWJY-UYAOXDASSA-N 2 2 355.551 4.192 20 0 FIADLP CCc1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000539898386 1117740643 /nfs/dbraw/zinc/74/06/43/1117740643.db2.gz WCSUSBYJVWNWJY-UYAOXDASSA-N 2 2 355.551 4.192 20 0 FIADLP CCc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000539898386 1117740645 /nfs/dbraw/zinc/74/06/45/1117740645.db2.gz WCSUSBYJVWNWJY-UYAOXDASSA-N 2 2 355.551 4.192 20 0 FIADLP CCc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000539898386 1117740649 /nfs/dbraw/zinc/74/06/49/1117740649.db2.gz WCSUSBYJVWNWJY-UYAOXDASSA-N 2 2 355.551 4.192 20 0 FIADLP CC(C)O[C@@H]1C[C@H]([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)C1(C)C ZINC000463022646 1117919613 /nfs/dbraw/zinc/91/96/13/1117919613.db2.gz FIQBAWOYOMZBFP-HLAWJBBLSA-N 2 2 374.569 4.068 20 0 FIADLP Clc1ccc2c(c1Cl)OC[C@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000540185873 1117927292 /nfs/dbraw/zinc/92/72/92/1117927292.db2.gz CYOMFQJJZAQJBZ-MRXNPFEDSA-N 2 2 355.309 4.424 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000540302331 1117976677 /nfs/dbraw/zinc/97/66/77/1117976677.db2.gz OWLUZTNVFJVEHD-LJQANCHMSA-N 2 2 350.934 4.270 20 0 FIADLP COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463140413 1117987502 /nfs/dbraw/zinc/98/75/02/1117987502.db2.gz HCOMTBIKBBISPZ-QGZVFWFLSA-N 2 2 356.485 4.192 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463279886 1118067158 /nfs/dbraw/zinc/06/71/58/1118067158.db2.gz KIIMKFKCLGHTJJ-OUJCMCIWSA-N 2 2 363.549 4.075 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463279886 1118067164 /nfs/dbraw/zinc/06/71/64/1118067164.db2.gz KIIMKFKCLGHTJJ-OUJCMCIWSA-N 2 2 363.549 4.075 20 0 FIADLP CCC1(CC)[C@H]([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)C[C@@H]1OC ZINC000540594142 1118138184 /nfs/dbraw/zinc/13/81/84/1118138184.db2.gz YLFVMEWVDXSNQU-NRSPTQNISA-N 2 2 374.569 4.070 20 0 FIADLP Cc1ccc2c(c1)[C@H](Nc1ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]1)CCC2 ZINC000540758676 1118225650 /nfs/dbraw/zinc/22/56/50/1118225650.db2.gz VWTYUANNKSARSC-PZJWPPBQSA-N 2 2 350.510 4.020 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000541249189 1118445927 /nfs/dbraw/zinc/44/59/27/1118445927.db2.gz JNJSAVAGPWZHIB-UHFFFAOYSA-N 2 2 350.934 4.065 20 0 FIADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000541774600 1118645807 /nfs/dbraw/zinc/64/58/07/1118645807.db2.gz XGDILMGHJLAOGH-HNNXBMFYSA-N 2 2 362.411 4.073 20 0 FIADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000541774600 1118645815 /nfs/dbraw/zinc/64/58/15/1118645815.db2.gz XGDILMGHJLAOGH-HNNXBMFYSA-N 2 2 362.411 4.073 20 0 FIADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000541774600 1118645819 /nfs/dbraw/zinc/64/58/19/1118645819.db2.gz XGDILMGHJLAOGH-HNNXBMFYSA-N 2 2 362.411 4.073 20 0 FIADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000541774600 1118645823 /nfs/dbraw/zinc/64/58/23/1118645823.db2.gz XGDILMGHJLAOGH-HNNXBMFYSA-N 2 2 362.411 4.073 20 0 FIADLP CC[N@H+](CCCCOc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464812844 1118703309 /nfs/dbraw/zinc/70/33/09/1118703309.db2.gz YXDHSLJINXTSKX-UHFFFAOYSA-N 2 2 367.537 4.479 20 0 FIADLP CC[N@@H+](CCCCOc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464812844 1118703311 /nfs/dbraw/zinc/70/33/11/1118703311.db2.gz YXDHSLJINXTSKX-UHFFFAOYSA-N 2 2 367.537 4.479 20 0 FIADLP CC[N@H+](CCO[C@@H]1CCCC[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807731 1118707816 /nfs/dbraw/zinc/70/78/16/1118707816.db2.gz INMLRPOWNNJCNN-PZJWPPBQSA-N 2 2 359.558 4.215 20 0 FIADLP CC[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807731 1118707818 /nfs/dbraw/zinc/70/78/18/1118707818.db2.gz INMLRPOWNNJCNN-PZJWPPBQSA-N 2 2 359.558 4.215 20 0 FIADLP c1cn(Cc2ccccc2C[NH2+][C@H](c2ccccc2)c2ccccn2)c[nH+]1 ZINC000491378023 1118943390 /nfs/dbraw/zinc/94/33/90/1118943390.db2.gz BAHKESXONOGXJC-HSZRJFAPSA-N 2 2 354.457 4.206 20 0 FIADLP C[C@@H](C[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1)C[NH+](C)C ZINC000491545270 1118962378 /nfs/dbraw/zinc/96/23/78/1118962378.db2.gz KFKGGCDQAHLKSG-NSHDSACASA-N 2 2 358.338 4.404 20 0 FIADLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168445499 1119155771 /nfs/dbraw/zinc/15/57/71/1119155771.db2.gz KTRVRAKUDNPYSZ-JOCHJYFZSA-N 2 2 370.487 4.419 20 0 FIADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168445499 1119155773 /nfs/dbraw/zinc/15/57/73/1119155773.db2.gz KTRVRAKUDNPYSZ-JOCHJYFZSA-N 2 2 370.487 4.419 20 0 FIADLP COc1cccc(C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C2CC2)c1 ZINC000179019767 1119425430 /nfs/dbraw/zinc/42/54/30/1119425430.db2.gz YRMAWIGUBZELOO-QHCPKHFHSA-N 2 2 361.489 4.051 20 0 FIADLP O[C@@]1(C[NH2+]C(c2ccccc2)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000493246340 1119430792 /nfs/dbraw/zinc/43/07/92/1119430792.db2.gz IAMCQZBTHVQJBZ-RUZDIDTESA-N 2 2 372.512 4.003 20 0 FIADLP O[C@@]1(C[NH2+]C(c2ccccc2)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000493246340 1119430796 /nfs/dbraw/zinc/43/07/96/1119430796.db2.gz IAMCQZBTHVQJBZ-RUZDIDTESA-N 2 2 372.512 4.003 20 0 FIADLP CCOc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1F ZINC000152797126 1119508374 /nfs/dbraw/zinc/50/83/74/1119508374.db2.gz KWZDXHCRKAZIPF-UHFFFAOYSA-N 2 2 371.500 4.049 20 0 FIADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cs1 ZINC000186316044 1119721285 /nfs/dbraw/zinc/72/12/85/1119721285.db2.gz IUIGQFWNGXRTNB-MJGOQNOKSA-N 2 2 357.567 4.482 20 0 FIADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cs1 ZINC000186316044 1119721290 /nfs/dbraw/zinc/72/12/90/1119721290.db2.gz IUIGQFWNGXRTNB-MJGOQNOKSA-N 2 2 357.567 4.482 20 0 FIADLP Cc1ccc2c(c1)nc(C[NH2+]C1CC[NH+]([C@H]3CCC[C@H](C)C3)CC1)n2C ZINC000187591438 1119790883 /nfs/dbraw/zinc/79/08/83/1119790883.db2.gz CXRRWQUDABYMIX-LPHOPBHVSA-N 2 2 354.542 4.014 20 0 FIADLP Clc1cccc(Oc2ccccc2)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494428049 1119857200 /nfs/dbraw/zinc/85/72/00/1119857200.db2.gz HMHYZPDPECEYSU-OAHLLOKOSA-N 2 2 353.853 4.433 20 0 FIADLP Cc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000189367461 1119889589 /nfs/dbraw/zinc/88/95/89/1119889589.db2.gz FHOUCIFOFIWXBZ-JOCHJYFZSA-N 2 2 350.506 4.115 20 0 FIADLP C[C@@H]1CC[C@H](C[NH+]2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)O1 ZINC000190928695 1119954401 /nfs/dbraw/zinc/95/44/01/1119954401.db2.gz ZQOUOVQYHYSZSR-DNVCBOLYSA-N 2 2 370.459 4.169 20 0 FIADLP C[C@@H]1CC[C@H](C[NH+]2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)O1 ZINC000190928695 1119954403 /nfs/dbraw/zinc/95/44/03/1119954403.db2.gz ZQOUOVQYHYSZSR-DNVCBOLYSA-N 2 2 370.459 4.169 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000192053437 1120011045 /nfs/dbraw/zinc/01/10/45/1120011045.db2.gz KTDYPJGLXCPTPQ-QLXKLKPCSA-N 2 2 367.518 4.111 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000192053437 1120011052 /nfs/dbraw/zinc/01/10/52/1120011052.db2.gz KTDYPJGLXCPTPQ-QLXKLKPCSA-N 2 2 367.518 4.111 20 0 FIADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168470454 1120262340 /nfs/dbraw/zinc/26/23/40/1120262340.db2.gz YOEORXIAMAFEHD-KRWDZBQOSA-N 2 2 358.476 4.458 20 0 FIADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168470410 1120269200 /nfs/dbraw/zinc/26/92/00/1120269200.db2.gz YCAGGIJKSDEFPZ-INIZCTEOSA-N 2 2 358.476 4.458 20 0 FIADLP CC[N@H+](CC[C@H]1CCCCO1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000542508412 1120283295 /nfs/dbraw/zinc/28/32/95/1120283295.db2.gz RUWBTPUNTJTWEH-HXUWFJFHSA-N 2 2 374.573 4.158 20 0 FIADLP CC[N@@H+](CC[C@H]1CCCCO1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000542508412 1120283297 /nfs/dbraw/zinc/28/32/97/1120283297.db2.gz RUWBTPUNTJTWEH-HXUWFJFHSA-N 2 2 374.573 4.158 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542530412 1120416840 /nfs/dbraw/zinc/41/68/40/1120416840.db2.gz FLGDLEWRFMHMLS-LPHOPBHVSA-N 2 2 353.510 4.393 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542530412 1120416842 /nfs/dbraw/zinc/41/68/42/1120416842.db2.gz FLGDLEWRFMHMLS-LPHOPBHVSA-N 2 2 353.510 4.393 20 0 FIADLP FC(F)(F)c1cccc(Oc2cccc(C[NH2+]CCn3cc[nH+]c3)c2)c1 ZINC000237688891 1120981721 /nfs/dbraw/zinc/98/17/21/1120981721.db2.gz BNSUTQQXALIKFC-UHFFFAOYSA-N 2 2 361.367 4.484 20 0 FIADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000237778216 1120983960 /nfs/dbraw/zinc/98/39/60/1120983960.db2.gz YISDMSIWLARHLT-VDVULAQNSA-N 2 2 368.521 4.302 20 0 FIADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000237778216 1120983963 /nfs/dbraw/zinc/98/39/63/1120983963.db2.gz YISDMSIWLARHLT-VDVULAQNSA-N 2 2 368.521 4.302 20 0 FIADLP CC[NH+]1CCC([N@H+](C)Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000125216428 1121758981 /nfs/dbraw/zinc/75/89/81/1121758981.db2.gz XRLZYUOIMHANBF-UHFFFAOYSA-N 2 2 374.960 4.118 20 0 FIADLP CC[NH+]1CCC([N@@H+](C)Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000125216428 1121758995 /nfs/dbraw/zinc/75/89/95/1121758995.db2.gz XRLZYUOIMHANBF-UHFFFAOYSA-N 2 2 374.960 4.118 20 0 FIADLP c1cn(Cc2ccccc2C[NH2+]Cc2cnc(-c3ccccc3)s2)c[nH+]1 ZINC000066971414 1121762248 /nfs/dbraw/zinc/76/22/48/1121762248.db2.gz ZEQHAXSSVXOEEN-UHFFFAOYSA-N 2 2 360.486 4.345 20 0 FIADLP c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126672974 1121974973 /nfs/dbraw/zinc/97/49/73/1121974973.db2.gz JNJASUCDTCBVDO-HUUCEWRRSA-N 2 2 353.491 4.273 20 0 FIADLP c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126672974 1121974979 /nfs/dbraw/zinc/97/49/79/1121974979.db2.gz JNJASUCDTCBVDO-HUUCEWRRSA-N 2 2 353.491 4.273 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cc2ccccc2o1 ZINC000126746719 1121982693 /nfs/dbraw/zinc/98/26/93/1121982693.db2.gz XKSWOJKACAACLU-GOSISDBHSA-N 2 2 363.505 4.031 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000765791464 1121995694 /nfs/dbraw/zinc/99/56/94/1121995694.db2.gz KGITUSRIGFZFKI-QRFRQXIXSA-N 2 2 370.468 4.132 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000765791464 1121995700 /nfs/dbraw/zinc/99/57/00/1121995700.db2.gz KGITUSRIGFZFKI-QRFRQXIXSA-N 2 2 370.468 4.132 20 0 FIADLP Cc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(OC(F)F)cc1C ZINC000538750091 1122067582 /nfs/dbraw/zinc/06/75/82/1122067582.db2.gz AACYZXVKLFNFPM-KRWDZBQOSA-N 2 2 352.469 4.069 20 0 FIADLP Cc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(OC(F)F)cc1C ZINC000538750091 1122067590 /nfs/dbraw/zinc/06/75/90/1122067590.db2.gz AACYZXVKLFNFPM-KRWDZBQOSA-N 2 2 352.469 4.069 20 0 FIADLP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(OC(F)F)cc1C ZINC000538750091 1122067593 /nfs/dbraw/zinc/06/75/93/1122067593.db2.gz AACYZXVKLFNFPM-KRWDZBQOSA-N 2 2 352.469 4.069 20 0 FIADLP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(OC(F)F)cc1C ZINC000538750091 1122067599 /nfs/dbraw/zinc/06/75/99/1122067599.db2.gz AACYZXVKLFNFPM-KRWDZBQOSA-N 2 2 352.469 4.069 20 0 FIADLP Cc1ccn(-c2ccccc2C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000127575611 1122120133 /nfs/dbraw/zinc/12/01/33/1122120133.db2.gz GJMHORADRWADDD-GOSISDBHSA-N 2 2 357.461 4.217 20 0 FIADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000497384496 1122193666 /nfs/dbraw/zinc/19/36/66/1122193666.db2.gz KJKCLJKJCTWMTH-HNNXBMFYSA-N 2 2 363.427 4.290 20 0 FIADLP Clc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CCCO2 ZINC000497412378 1122222064 /nfs/dbraw/zinc/22/20/64/1122222064.db2.gz ZOPQALJVSXLRIE-SFHVURJKSA-N 2 2 357.885 4.207 20 0 FIADLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000089724744 1122246102 /nfs/dbraw/zinc/24/61/02/1122246102.db2.gz RCRMNWUIRKUUQU-LAUBAEHRSA-N 2 2 360.461 4.404 20 0 FIADLP CCC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1nnc2ccccn21 ZINC000129276631 1122563582 /nfs/dbraw/zinc/56/35/82/1122563582.db2.gz GYDVPSICOSTXMR-LPHOPBHVSA-N 2 2 360.465 4.107 20 0 FIADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000444794532 1122621714 /nfs/dbraw/zinc/62/17/14/1122621714.db2.gz SDADFXWTPBZVMT-ZDUSSCGKSA-N 2 2 374.460 4.201 20 0 FIADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000444794532 1122621719 /nfs/dbraw/zinc/62/17/19/1122621719.db2.gz SDADFXWTPBZVMT-ZDUSSCGKSA-N 2 2 374.460 4.201 20 0 FIADLP Brc1cc2c(s1)CC[C@@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000556094422 1122649084 /nfs/dbraw/zinc/64/90/84/1122649084.db2.gz UMECRKSJUPEBJF-HNNXBMFYSA-N 2 2 374.307 4.473 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556168067 1122708424 /nfs/dbraw/zinc/70/84/24/1122708424.db2.gz DFROQXQWOBPERQ-GMAHTHKFSA-N 2 2 360.505 4.106 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556168067 1122708431 /nfs/dbraw/zinc/70/84/31/1122708431.db2.gz DFROQXQWOBPERQ-GMAHTHKFSA-N 2 2 360.505 4.106 20 0 FIADLP Cn1c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)nc2cccc(Cl)c21 ZINC000556178052 1122717046 /nfs/dbraw/zinc/71/70/46/1122717046.db2.gz UCKJUAHOEJRJTB-APWZRJJASA-N 2 2 368.912 4.152 20 0 FIADLP Cn1c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)nc2cccc(Cl)c21 ZINC000556178052 1122717047 /nfs/dbraw/zinc/71/70/47/1122717047.db2.gz UCKJUAHOEJRJTB-APWZRJJASA-N 2 2 368.912 4.152 20 0 FIADLP FC(F)(F)[C@@H](CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000556214461 1122741526 /nfs/dbraw/zinc/74/15/26/1122741526.db2.gz CCCSOAPOLDUFMI-SFHVURJKSA-N 2 2 363.427 4.376 20 0 FIADLP CCOc1cccc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000556503223 1122933581 /nfs/dbraw/zinc/93/35/81/1122933581.db2.gz HITOXELTNQUQLI-CVDCTZTESA-N 2 2 368.521 4.027 20 0 FIADLP CCOc1cccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000556503223 1122933583 /nfs/dbraw/zinc/93/35/83/1122933583.db2.gz HITOXELTNQUQLI-CVDCTZTESA-N 2 2 368.521 4.027 20 0 FIADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC3c4ccccc4-c4ccccc43)[nH+]c2)C1 ZINC000498763257 1123003721 /nfs/dbraw/zinc/00/37/21/1123003721.db2.gz HERPHHDBHGNOJD-GOSISDBHSA-N 2 2 370.500 4.404 20 0 FIADLP c1cn(CCCC2CC[NH+](Cc3conc3Cc3ccccc3)CC2)c[nH+]1 ZINC000556866588 1123141264 /nfs/dbraw/zinc/14/12/64/1123141264.db2.gz AIKCPJMGFBSEQV-UHFFFAOYSA-N 2 2 364.493 4.154 20 0 FIADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cc1F ZINC000132221371 1123232590 /nfs/dbraw/zinc/23/25/90/1123232590.db2.gz LUXZYXOVOZJWOT-FQEVSTJZSA-N 2 2 355.432 4.493 20 0 FIADLP CCCOc1ncccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499145342 1123287159 /nfs/dbraw/zinc/28/71/59/1123287159.db2.gz GQNXFTYZLPHOMP-KOUNCHBCSA-N 2 2 365.521 4.156 20 0 FIADLP CCCOc1ncccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499145342 1123287164 /nfs/dbraw/zinc/28/71/64/1123287164.db2.gz GQNXFTYZLPHOMP-KOUNCHBCSA-N 2 2 365.521 4.156 20 0 FIADLP FC(F)(F)c1ccc(-c2ccc(C[NH2+]CCn3cc[nH+]c3)s2)cc1 ZINC000237907147 1123665979 /nfs/dbraw/zinc/66/59/79/1123665979.db2.gz DMHYTWBATOSAPS-UHFFFAOYSA-N 2 2 351.397 4.420 20 0 FIADLP CCCCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1(C)C ZINC000245828909 1124257956 /nfs/dbraw/zinc/25/79/56/1124257956.db2.gz BHISXSMCIWBXBS-DUXKGJEZSA-N 2 2 359.558 4.180 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1nc2ccccc2n1C ZINC000246163033 1124377121 /nfs/dbraw/zinc/37/71/21/1124377121.db2.gz UQRTVQXYKGGQMI-TWOQFEAHSA-N 2 2 368.550 4.369 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1nc2ccccc2n1C ZINC000246163033 1124377125 /nfs/dbraw/zinc/37/71/25/1124377125.db2.gz UQRTVQXYKGGQMI-TWOQFEAHSA-N 2 2 368.550 4.369 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(Cl)ccc1Cl ZINC000246505780 1124518149 /nfs/dbraw/zinc/51/81/49/1124518149.db2.gz SWWJWLVXDAUQCM-MJXNMMHHSA-N 2 2 371.352 4.412 20 0 FIADLP CSCc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000921797363 1124718149 /nfs/dbraw/zinc/71/81/49/1124718149.db2.gz BLZDUYKTRXEMKY-HXUWFJFHSA-N 2 2 351.519 4.357 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248402541 1124762798 /nfs/dbraw/zinc/76/27/98/1124762798.db2.gz NHPKBHIHABRBKT-WFXMLNOXSA-N 3 2 366.553 4.484 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248402541 1124762806 /nfs/dbraw/zinc/76/28/06/1124762806.db2.gz NHPKBHIHABRBKT-WFXMLNOXSA-N 3 2 366.553 4.484 20 0 FIADLP Brc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062426593 1124809006 /nfs/dbraw/zinc/80/90/06/1124809006.db2.gz VFXUYZIIHFGPIV-SFHVURJKSA-N 2 2 373.338 4.451 20 0 FIADLP Brc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062426593 1124809011 /nfs/dbraw/zinc/80/90/11/1124809011.db2.gz VFXUYZIIHFGPIV-SFHVURJKSA-N 2 2 373.338 4.451 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000089543362 1124914334 /nfs/dbraw/zinc/91/43/34/1124914334.db2.gz FODLMMJESWUJDO-HNNXBMFYSA-N 2 2 357.404 4.367 20 0 FIADLP CC(C)c1ccccc1OCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000089597366 1124917412 /nfs/dbraw/zinc/91/74/12/1124917412.db2.gz DPSOGLHDSWARRG-KNQAVFIVSA-N 2 2 367.537 4.084 20 0 FIADLP CC(C)c1ccccc1OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000089597366 1124917414 /nfs/dbraw/zinc/91/74/14/1124917414.db2.gz DPSOGLHDSWARRG-KNQAVFIVSA-N 2 2 367.537 4.084 20 0 FIADLP CSCc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000921920167 1124982635 /nfs/dbraw/zinc/98/26/35/1124982635.db2.gz HGMSTTIWLUETEH-QGZVFWFLSA-N 2 2 355.551 4.260 20 0 FIADLP FC(F)SCc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000069678499 1125103636 /nfs/dbraw/zinc/10/36/36/1125103636.db2.gz YZUJZWAQQUOWCO-UHFFFAOYSA-N 2 2 363.433 4.270 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1nc2c(s1)CCCC2 ZINC000093404962 1125320736 /nfs/dbraw/zinc/32/07/36/1125320736.db2.gz LYMPQUANRVZUDW-PKOBYXMFSA-N 2 2 369.578 4.237 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1nc2c(s1)CCCC2 ZINC000093404962 1125320738 /nfs/dbraw/zinc/32/07/38/1125320738.db2.gz LYMPQUANRVZUDW-PKOBYXMFSA-N 2 2 369.578 4.237 20 0 FIADLP Clc1ccccc1COc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000010314021 204394717 /nfs/dbraw/zinc/39/47/17/204394717.db2.gz ZELIRPXTHNZKFT-UHFFFAOYSA-N 2 2 355.869 4.295 20 0 FIADLP COc1cnccc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000188797974 567984615 /nfs/dbraw/zinc/98/46/15/567984615.db2.gz PPRODQQNGIFNSQ-HNNXBMFYSA-N 2 2 359.901 4.059 20 0 FIADLP CC(C)[N@H+](C)CC1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000602754868 568031257 /nfs/dbraw/zinc/03/12/57/568031257.db2.gz ZEGGFVIJKQIQOD-UHFFFAOYSA-N 2 2 367.493 4.066 20 0 FIADLP CC(C)[N@@H+](C)CC1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000602754868 568031258 /nfs/dbraw/zinc/03/12/58/568031258.db2.gz ZEGGFVIJKQIQOD-UHFFFAOYSA-N 2 2 367.493 4.066 20 0 FIADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000603512438 568110912 /nfs/dbraw/zinc/11/09/12/568110912.db2.gz OJEVGKJCLFDYDD-LBPRGKRZSA-N 2 2 357.445 4.259 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000563120066 568224897 /nfs/dbraw/zinc/22/48/97/568224897.db2.gz QNZOPSGHSADHDO-IFMALSPDSA-N 3 2 355.570 4.038 20 0 FIADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000563120066 568224898 /nfs/dbraw/zinc/22/48/98/568224898.db2.gz QNZOPSGHSADHDO-IFMALSPDSA-N 3 2 355.570 4.038 20 0 FIADLP C[C@@H]1CCCC[NH+]1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120066 568224900 /nfs/dbraw/zinc/22/49/00/568224900.db2.gz QNZOPSGHSADHDO-IFMALSPDSA-N 3 2 355.570 4.038 20 0 FIADLP Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000604219463 568230336 /nfs/dbraw/zinc/23/03/36/568230336.db2.gz ICVDYIMJNVATAC-ZWKOTPCHSA-N 2 2 367.493 4.175 20 0 FIADLP Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1Oc1cc[nH+]cc1 ZINC000604315944 568246007 /nfs/dbraw/zinc/24/60/07/568246007.db2.gz DFOPTLXZVHYOOL-QGZVFWFLSA-N 2 2 367.493 4.034 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000604771511 568363253 /nfs/dbraw/zinc/36/32/53/568363253.db2.gz CGYYVQPDHLSIBA-AUUYWEPGSA-N 2 2 364.320 4.389 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000604771511 568363254 /nfs/dbraw/zinc/36/32/54/568363254.db2.gz CGYYVQPDHLSIBA-AUUYWEPGSA-N 2 2 364.320 4.389 20 0 FIADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000604773126 568363679 /nfs/dbraw/zinc/36/36/79/568363679.db2.gz AIADOQNXPIDBPY-WBMJQRKESA-N 2 2 374.356 4.276 20 0 FIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccco2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165725 568593966 /nfs/dbraw/zinc/59/39/66/568593966.db2.gz SXIVMYBGKGKYOO-MAUKXSAKSA-N 2 2 352.400 4.471 20 0 FIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccco2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165725 568593969 /nfs/dbraw/zinc/59/39/69/568593969.db2.gz SXIVMYBGKGKYOO-MAUKXSAKSA-N 2 2 352.400 4.471 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093643909 1125469796 /nfs/dbraw/zinc/46/97/96/1125469796.db2.gz YQJCZQLHKSMIGJ-AUUYWEPGSA-N 2 2 360.933 4.057 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093643909 1125469800 /nfs/dbraw/zinc/46/98/00/1125469800.db2.gz YQJCZQLHKSMIGJ-AUUYWEPGSA-N 2 2 360.933 4.057 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643909 1125469803 /nfs/dbraw/zinc/46/98/03/1125469803.db2.gz YQJCZQLHKSMIGJ-AUUYWEPGSA-N 2 2 360.933 4.057 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643909 1125469806 /nfs/dbraw/zinc/46/98/06/1125469806.db2.gz YQJCZQLHKSMIGJ-AUUYWEPGSA-N 2 2 360.933 4.057 20 0 FIADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OCc1ccccc1 ZINC000093644757 1125472675 /nfs/dbraw/zinc/47/26/75/1125472675.db2.gz XYMVFELBMIXKHW-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OCc1ccccc1 ZINC000093644757 1125472676 /nfs/dbraw/zinc/47/26/76/1125472676.db2.gz XYMVFELBMIXKHW-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1ccccc1 ZINC000093644757 1125472679 /nfs/dbraw/zinc/47/26/79/1125472679.db2.gz XYMVFELBMIXKHW-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1ccccc1 ZINC000093644757 1125472682 /nfs/dbraw/zinc/47/26/82/1125472682.db2.gz XYMVFELBMIXKHW-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccccc3nc2N2CCCCC2)CC[N@@H+]1C ZINC000093644973 1125472761 /nfs/dbraw/zinc/47/27/61/1125472761.db2.gz RWBWRHPIOWXYCN-WIYYLYMNSA-N 2 2 366.553 4.140 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccccc3nc2N2CCCCC2)CC[N@H+]1C ZINC000093644973 1125472762 /nfs/dbraw/zinc/47/27/62/1125472762.db2.gz RWBWRHPIOWXYCN-WIYYLYMNSA-N 2 2 366.553 4.140 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3nc2N2CCCCC2)CC[NH+]1C ZINC000093644973 1125472765 /nfs/dbraw/zinc/47/27/65/1125472765.db2.gz RWBWRHPIOWXYCN-WIYYLYMNSA-N 2 2 366.553 4.140 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3ccccc3nc2N2CCCCC2)CC[NH+]1C ZINC000093644973 1125472769 /nfs/dbraw/zinc/47/27/69/1125472769.db2.gz RWBWRHPIOWXYCN-WIYYLYMNSA-N 2 2 366.553 4.140 20 0 FIADLP C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261716892 1125649847 /nfs/dbraw/zinc/64/98/47/1125649847.db2.gz QHONTRBMDMAWGA-HBNTYKKESA-N 2 2 354.338 4.454 20 0 FIADLP C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261716892 1125649848 /nfs/dbraw/zinc/64/98/48/1125649848.db2.gz QHONTRBMDMAWGA-HBNTYKKESA-N 2 2 354.338 4.454 20 0 FIADLP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000153259162 1125765522 /nfs/dbraw/zinc/76/55/22/1125765522.db2.gz MSEUYPSOUGGJJK-CVDCTZTESA-N 2 2 351.538 4.248 20 0 FIADLP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000153259162 1125765527 /nfs/dbraw/zinc/76/55/27/1125765527.db2.gz MSEUYPSOUGGJJK-CVDCTZTESA-N 2 2 351.538 4.248 20 0 FIADLP CC[N@H+](CCCC1CC[NH+](Cc2nccs2)CC1)Cc1nccs1 ZINC000154704655 1080365592 /nfs/dbraw/zinc/36/55/92/1080365592.db2.gz IRALLFJRCOOKOQ-UHFFFAOYSA-N 2 2 364.584 4.114 20 0 FIADLP CC[N@@H+](CCCC1CC[NH+](Cc2nccs2)CC1)Cc1nccs1 ZINC000154704655 1080365601 /nfs/dbraw/zinc/36/56/01/1080365601.db2.gz IRALLFJRCOOKOQ-UHFFFAOYSA-N 2 2 364.584 4.114 20 0 FIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H](c2ccccc2)c2ccccn2)[nH+]1 ZINC000180068766 1080434116 /nfs/dbraw/zinc/43/41/16/1080434116.db2.gz AIYKKQJHHSPSSY-XMMPIXPASA-N 2 2 368.484 4.248 20 0 FIADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)CC3 ZINC000180092392 1080440763 /nfs/dbraw/zinc/44/07/63/1080440763.db2.gz CZIMPKFXBHMFKU-FQEVSTJZSA-N 2 2 370.500 4.368 20 0 FIADLP CCC[NH+]1CCC([N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000109788481 1080753031 /nfs/dbraw/zinc/75/30/31/1080753031.db2.gz RALSUJNOWPAPEM-UHFFFAOYSA-N 2 2 365.521 4.245 20 0 FIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000109788481 1080753039 /nfs/dbraw/zinc/75/30/39/1080753039.db2.gz RALSUJNOWPAPEM-UHFFFAOYSA-N 2 2 365.521 4.245 20 0 FIADLP FC(F)Oc1ccc(Cl)cc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000124340794 1080773129 /nfs/dbraw/zinc/77/31/29/1080773129.db2.gz JGGOVIVDEMAEIJ-UHFFFAOYSA-N 2 2 367.827 4.095 20 0 FIADLP C[C@@H]([NH2+]Cc1ncoc1-c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547825906 1080942399 /nfs/dbraw/zinc/94/23/99/1080942399.db2.gz WGRDPHLVKBWDBC-NQIIRXRSSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@@H]([NH2+]Cc1ncoc1-c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547825906 1080942400 /nfs/dbraw/zinc/94/24/00/1080942400.db2.gz WGRDPHLVKBWDBC-NQIIRXRSSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(c1ccccc1)c1ccccc1 ZINC000655699920 1081124353 /nfs/dbraw/zinc/12/43/53/1081124353.db2.gz HWTASYDLIPKASE-AUSIDOKSSA-N 2 2 364.533 4.050 20 0 FIADLP CC(C)(C)[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000655722559 1081140325 /nfs/dbraw/zinc/14/03/25/1081140325.db2.gz FBUBEZAUQPLTAB-YLJYHZDGSA-N 2 2 366.496 4.285 20 0 FIADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000655734394 1081152134 /nfs/dbraw/zinc/15/21/34/1081152134.db2.gz HKPTUQGMORLJEI-OALUTQOASA-N 2 2 370.459 4.245 20 0 FIADLP CC1(C)CC[C@@H]2C[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c3cccc1c32 ZINC000655737893 1081156309 /nfs/dbraw/zinc/15/63/09/1081156309.db2.gz GWMBGKLAAWDXAG-BLIXFSHQSA-N 2 2 354.538 4.129 20 0 FIADLP Fc1ccc([C@@H](CC(F)(F)F)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655735344 1081157134 /nfs/dbraw/zinc/15/71/34/1081157134.db2.gz HLRVLQJYXZCWGZ-ZWKOTPCHSA-N 2 2 374.422 4.052 20 0 FIADLP c1ccc(-c2ccc3c(c2)[C@@H]([NH2+]C2CC[NH+]([C@@H]4CCOC4)CC2)CC3)cc1 ZINC000655756159 1081177022 /nfs/dbraw/zinc/17/70/22/1081177022.db2.gz PLLFVIFLZZDRHS-VWNXMTODSA-N 2 2 362.517 4.184 20 0 FIADLP Clc1cccc(Cl)c1[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000655767477 1081178783 /nfs/dbraw/zinc/17/87/83/1081178783.db2.gz FJXJBYLBAUASTI-KXBFYZLASA-N 2 2 369.336 4.287 20 0 FIADLP Clc1cccc(Cl)c1[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000655767476 1081179122 /nfs/dbraw/zinc/17/91/22/1081179122.db2.gz FJXJBYLBAUASTI-HNAYVOBHSA-N 2 2 369.336 4.287 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2OC2CCCC2)C[C@@H]1c1ccccc1 ZINC000580055512 1081559485 /nfs/dbraw/zinc/55/94/85/1081559485.db2.gz VPPNREWNSVKHHK-IFMALSPDSA-N 2 2 365.521 4.328 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2OC2CCCC2)C[C@@H]1c1ccccc1 ZINC000580055512 1081559490 /nfs/dbraw/zinc/55/94/90/1081559490.db2.gz VPPNREWNSVKHHK-IFMALSPDSA-N 2 2 365.521 4.328 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)C[C@@H]1c1ccccc1 ZINC000580578768 1082024058 /nfs/dbraw/zinc/02/40/58/1082024058.db2.gz HQGYLEIRPCLVFI-VQTJNVASSA-N 2 2 353.510 4.184 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)C[C@@H]1c1ccccc1 ZINC000580578768 1082024064 /nfs/dbraw/zinc/02/40/64/1082024064.db2.gz HQGYLEIRPCLVFI-VQTJNVASSA-N 2 2 353.510 4.184 20 0 FIADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1oc2ccccc2c1Br ZINC000656261586 1082047590 /nfs/dbraw/zinc/04/75/90/1082047590.db2.gz LFOQIOCHSIUATR-UHFFFAOYSA-N 2 2 362.271 4.222 20 0 FIADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1oc2ccccc2c1Br ZINC000656261586 1082047595 /nfs/dbraw/zinc/04/75/95/1082047595.db2.gz LFOQIOCHSIUATR-UHFFFAOYSA-N 2 2 362.271 4.222 20 0 FIADLP CCCOc1ccc(C[NH2+]C2CC[NH+](CCC)CC2)c(OC(F)F)c1 ZINC000123231779 1082176347 /nfs/dbraw/zinc/17/63/47/1082176347.db2.gz PKSFCZUSYARYOC-UHFFFAOYSA-N 2 2 356.457 4.041 20 0 FIADLP Cc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1Br ZINC001167443409 1082286066 /nfs/dbraw/zinc/28/60/66/1082286066.db2.gz UFBVWVMRAYQVGA-QGZVFWFLSA-N 2 2 351.332 4.208 20 0 FIADLP Cc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1Br ZINC001167443409 1082286073 /nfs/dbraw/zinc/28/60/73/1082286073.db2.gz UFBVWVMRAYQVGA-QGZVFWFLSA-N 2 2 351.332 4.208 20 0 FIADLP CC[C@@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000581043255 1082290242 /nfs/dbraw/zinc/29/02/42/1082290242.db2.gz XJWJFNRDGLQIIN-HOTGVXAUSA-N 2 2 362.315 4.031 20 0 FIADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(F)cn1 ZINC000558241371 1082389773 /nfs/dbraw/zinc/38/97/73/1082389773.db2.gz NGHVENHVHRILSP-NJSLBKSFSA-N 2 2 363.502 4.025 20 0 FIADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(F)cn1 ZINC000558241371 1082389784 /nfs/dbraw/zinc/38/97/84/1082389784.db2.gz NGHVENHVHRILSP-NJSLBKSFSA-N 2 2 363.502 4.025 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)no1 ZINC000548159702 1082479141 /nfs/dbraw/zinc/47/91/41/1082479141.db2.gz JRHZFZDXUPTIHO-GCJKJVERSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)no1 ZINC000548159702 1082479145 /nfs/dbraw/zinc/47/91/45/1082479145.db2.gz JRHZFZDXUPTIHO-GCJKJVERSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Oc1ccccc1Cl ZINC000090116828 1082639645 /nfs/dbraw/zinc/63/96/45/1082639645.db2.gz IQUPOZOXSDZEFA-HLIPFELVSA-N 2 2 373.928 4.003 20 0 FIADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Oc1ccccc1Cl ZINC000090116828 1082639652 /nfs/dbraw/zinc/63/96/52/1082639652.db2.gz IQUPOZOXSDZEFA-HLIPFELVSA-N 2 2 373.928 4.003 20 0 FIADLP FC(F)(F)c1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)s1 ZINC000581574757 1082675974 /nfs/dbraw/zinc/67/59/74/1082675974.db2.gz LXYDRNYGNBHNNR-UHFFFAOYSA-N 2 2 351.397 4.302 20 0 FIADLP C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000471794716 1082999605 /nfs/dbraw/zinc/99/96/05/1082999605.db2.gz UZIQVTXTNWHWQR-OAHLLOKOSA-N 2 2 357.404 4.367 20 0 FIADLP Cc1nc(COc2ccc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)cs1 ZINC000510537561 1083146956 /nfs/dbraw/zinc/14/69/56/1083146956.db2.gz ISIVEWQKJFTSRD-QGZVFWFLSA-N 2 2 368.506 4.133 20 0 FIADLP Cc1nc(COc2ccc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)cs1 ZINC000510537561 1083146962 /nfs/dbraw/zinc/14/69/62/1083146962.db2.gz ISIVEWQKJFTSRD-QGZVFWFLSA-N 2 2 368.506 4.133 20 0 FIADLP CC(C)OCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000159351433 1083271365 /nfs/dbraw/zinc/27/13/65/1083271365.db2.gz PBSKACYPYAFHNF-UHFFFAOYSA-N 2 2 358.448 4.027 20 0 FIADLP CC(C)OCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000159351433 1083271370 /nfs/dbraw/zinc/27/13/70/1083271370.db2.gz PBSKACYPYAFHNF-UHFFFAOYSA-N 2 2 358.448 4.027 20 0 FIADLP CC(C)(C)OC(=O)Nc1ccsc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000891845003 1083272308 /nfs/dbraw/zinc/27/23/08/1083272308.db2.gz MJTJNWRICCVHBY-UHFFFAOYSA-N 2 2 362.499 4.198 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(Cl)c1Cl ZINC000090525150 1083301190 /nfs/dbraw/zinc/30/11/90/1083301190.db2.gz JIQOWNQJPJJQSM-KKXDTOCCSA-N 2 2 371.352 4.412 20 0 FIADLP Clc1cccc(OCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1Cl ZINC000520945826 1083327132 /nfs/dbraw/zinc/32/71/32/1083327132.db2.gz QMQSCQWUDBLPBF-UHFFFAOYSA-N 2 2 362.260 4.348 20 0 FIADLP CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1)C(C)C ZINC000510892352 1083357895 /nfs/dbraw/zinc/35/78/95/1083357895.db2.gz IZUFPDKJSFPQRB-UHFFFAOYSA-N 2 2 362.477 4.355 20 0 FIADLP CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1)C(C)C ZINC000510892352 1083357896 /nfs/dbraw/zinc/35/78/96/1083357896.db2.gz IZUFPDKJSFPQRB-UHFFFAOYSA-N 2 2 362.477 4.355 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000658250152 1083373532 /nfs/dbraw/zinc/37/35/32/1083373532.db2.gz AXXDEZZYPUNSHB-BVOGOJNSSA-N 2 2 371.569 4.008 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000658250152 1083373539 /nfs/dbraw/zinc/37/35/39/1083373539.db2.gz AXXDEZZYPUNSHB-BVOGOJNSSA-N 2 2 371.569 4.008 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000658292195 1083396456 /nfs/dbraw/zinc/39/64/56/1083396456.db2.gz QMCZLNGQDRDRDO-CRAIPNDOSA-N 2 2 357.325 4.287 20 0 FIADLP Clc1ccccc1[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294482 1083397129 /nfs/dbraw/zinc/39/71/29/1083397129.db2.gz HXQLDNFSWHGYLE-SLYNCCJLSA-N 2 2 362.945 4.209 20 0 FIADLP c1ccc(C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCCCC2)cc1 ZINC000658296447 1083398623 /nfs/dbraw/zinc/39/86/23/1083398623.db2.gz ZUMIVKYHGRGTAL-XZOQPEGZSA-N 2 2 356.554 4.021 20 0 FIADLP Cc1ncc([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C)n1 ZINC000510948130 1083532356 /nfs/dbraw/zinc/53/23/56/1083532356.db2.gz HWLVCYOJEHQVER-UTKZUKDTSA-N 2 2 352.526 4.045 20 0 FIADLP Cc1ncc([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C)n1 ZINC000510948130 1083532363 /nfs/dbraw/zinc/53/23/63/1083532363.db2.gz HWLVCYOJEHQVER-UTKZUKDTSA-N 2 2 352.526 4.045 20 0 FIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cn2ccccc2n1 ZINC000582013223 1083985760 /nfs/dbraw/zinc/98/57/60/1083985760.db2.gz FEXGJPLQAUGUNL-LBFURVHYSA-N 2 2 360.505 4.181 20 0 FIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cn2ccccc2n1 ZINC000582013223 1083985763 /nfs/dbraw/zinc/98/57/63/1083985763.db2.gz FEXGJPLQAUGUNL-LBFURVHYSA-N 2 2 360.505 4.181 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000892104697 1084299201 /nfs/dbraw/zinc/29/92/01/1084299201.db2.gz DPNJHZGKJYVWFZ-KGLIPLIRSA-N 2 2 353.532 4.010 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000892104697 1084299208 /nfs/dbraw/zinc/29/92/08/1084299208.db2.gz DPNJHZGKJYVWFZ-KGLIPLIRSA-N 2 2 353.532 4.010 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000892104697 1084299219 /nfs/dbraw/zinc/29/92/19/1084299219.db2.gz DPNJHZGKJYVWFZ-KGLIPLIRSA-N 2 2 353.532 4.010 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000892104697 1084299233 /nfs/dbraw/zinc/29/92/33/1084299233.db2.gz DPNJHZGKJYVWFZ-KGLIPLIRSA-N 2 2 353.532 4.010 20 0 FIADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CCOCC1 ZINC000511045945 1084346741 /nfs/dbraw/zinc/34/67/41/1084346741.db2.gz JMBHNDSHXKNNKD-WDJPJFJCSA-N 2 2 364.533 4.059 20 0 FIADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CCOCC1 ZINC000511045945 1084346756 /nfs/dbraw/zinc/34/67/56/1084346756.db2.gz JMBHNDSHXKNNKD-WDJPJFJCSA-N 2 2 364.533 4.059 20 0 FIADLP CCn1c2ccccc2nc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000685850864 1084386661 /nfs/dbraw/zinc/38/66/61/1084386661.db2.gz KCEYPLPOQNKTLG-RTWAWAEBSA-N 2 2 374.532 4.010 20 0 FIADLP CCn1c2ccccc2nc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000685850864 1084386672 /nfs/dbraw/zinc/38/66/72/1084386672.db2.gz KCEYPLPOQNKTLG-RTWAWAEBSA-N 2 2 374.532 4.010 20 0 FIADLP CCn1c2ccccc2nc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000685850864 1084386687 /nfs/dbraw/zinc/38/66/87/1084386687.db2.gz KCEYPLPOQNKTLG-RTWAWAEBSA-N 2 2 374.532 4.010 20 0 FIADLP CCn1c2ccccc2nc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000685850864 1084386695 /nfs/dbraw/zinc/38/66/95/1084386695.db2.gz KCEYPLPOQNKTLG-RTWAWAEBSA-N 2 2 374.532 4.010 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc2n(n1)CCC2 ZINC000414065908 1084420370 /nfs/dbraw/zinc/42/03/70/1084420370.db2.gz HNLKTYYVVTZAMQ-CEXWTWQISA-N 2 2 366.553 4.158 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cc2n(n1)CCC2 ZINC000414065908 1084420374 /nfs/dbraw/zinc/42/03/74/1084420374.db2.gz HNLKTYYVVTZAMQ-CEXWTWQISA-N 2 2 366.553 4.158 20 0 FIADLP CC[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC000511054089 1084432788 /nfs/dbraw/zinc/43/27/88/1084432788.db2.gz ILKQPFFGEREAQJ-CJRSTVEYSA-N 2 2 364.533 4.059 20 0 FIADLP CC[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC000511054089 1084432793 /nfs/dbraw/zinc/43/27/93/1084432793.db2.gz ILKQPFFGEREAQJ-CJRSTVEYSA-N 2 2 364.533 4.059 20 0 FIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1csc(-c2ccccc2)n1 ZINC000414074508 1084443339 /nfs/dbraw/zinc/44/33/39/1084443339.db2.gz WWWYQLGEJPEXLG-HNNXBMFYSA-N 2 2 352.507 4.236 20 0 FIADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000431340502 1084524743 /nfs/dbraw/zinc/52/47/43/1084524743.db2.gz WRHSPWQDVGKRRK-OAQYLSRUSA-N 2 2 372.553 4.258 20 0 FIADLP C[C@@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000467185401 1084658492 /nfs/dbraw/zinc/65/84/92/1084658492.db2.gz FFKOTSKFTDTLDX-IAGOWNOFSA-N 2 2 372.944 4.268 20 0 FIADLP C[C@@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000467185401 1084658496 /nfs/dbraw/zinc/65/84/96/1084658496.db2.gz FFKOTSKFTDTLDX-IAGOWNOFSA-N 2 2 372.944 4.268 20 0 FIADLP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(F)c1F ZINC000657357675 1084709774 /nfs/dbraw/zinc/70/97/74/1084709774.db2.gz OYIUARQBYDYPLT-AYHJJNSGSA-N 2 2 360.423 4.389 20 0 FIADLP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(F)c1F ZINC000657357675 1084709783 /nfs/dbraw/zinc/70/97/83/1084709783.db2.gz OYIUARQBYDYPLT-AYHJJNSGSA-N 2 2 360.423 4.389 20 0 FIADLP CC1(C)CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cc(Br)ccc21 ZINC000582330763 1084877824 /nfs/dbraw/zinc/87/78/24/1084877824.db2.gz LCYNAUSORJFJCH-BBRMVZONSA-N 2 2 374.326 4.432 20 0 FIADLP Fc1cccc(F)c1C1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000414242829 1084901375 /nfs/dbraw/zinc/90/13/75/1084901375.db2.gz QLXPUWOKFHTDQU-UHFFFAOYSA-N 2 2 371.475 4.036 20 0 FIADLP Cn1c2cc(Cl)ccc2nc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000582387967 1084933720 /nfs/dbraw/zinc/93/37/20/1084933720.db2.gz UJGRPNUFSAYINU-UHFFFAOYSA-N 2 2 371.916 4.116 20 0 FIADLP CCOc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c(C)c1 ZINC000657412286 1084945772 /nfs/dbraw/zinc/94/57/72/1084945772.db2.gz HPTHHKXGBJTBHL-GOSISDBHSA-N 2 2 353.510 4.104 20 0 FIADLP CCC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC)c1ccccn1 ZINC000414272535 1084951956 /nfs/dbraw/zinc/95/19/56/1084951956.db2.gz RXLFIBYPTMLFHI-FUPPJEDESA-N 2 2 367.537 4.050 20 0 FIADLP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC)c1ccccn1 ZINC000414272535 1084951963 /nfs/dbraw/zinc/95/19/63/1084951963.db2.gz RXLFIBYPTMLFHI-FUPPJEDESA-N 2 2 367.537 4.050 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)C[Si](C)(C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001167573927 1084994510 /nfs/dbraw/zinc/99/45/10/1084994510.db2.gz ZVVUSXDTWIVSQH-RBBKRZOGSA-N 2 2 366.625 4.126 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)C[Si](C)(C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001167573927 1084994512 /nfs/dbraw/zinc/99/45/12/1084994512.db2.gz ZVVUSXDTWIVSQH-RBBKRZOGSA-N 2 2 366.625 4.126 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)C[Si](C)(C)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001167573927 1084994518 /nfs/dbraw/zinc/99/45/18/1084994518.db2.gz ZVVUSXDTWIVSQH-RBBKRZOGSA-N 2 2 366.625 4.126 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)C[Si](C)(C)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001167573927 1084994519 /nfs/dbraw/zinc/99/45/19/1084994519.db2.gz ZVVUSXDTWIVSQH-RBBKRZOGSA-N 2 2 366.625 4.126 20 0 FIADLP COc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c(Cl)c1 ZINC000657650186 1085758127 /nfs/dbraw/zinc/75/81/27/1085758127.db2.gz ZTKOJPSZNHISLD-LJQANCHMSA-N 2 2 355.869 4.156 20 0 FIADLP CC1(C)CC([NH3+])CC(C)(C)N1c1c(Br)c[nH+]c2ccccc21 ZINC001167624670 1085794596 /nfs/dbraw/zinc/79/45/96/1085794596.db2.gz DPIVXJGKFNVJEF-UHFFFAOYSA-N 2 2 362.315 4.482 20 0 FIADLP COCc1cc[nH+]c(N[C@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)c1 ZINC000652330955 1085879843 /nfs/dbraw/zinc/87/98/43/1085879843.db2.gz TZHAPICLLXPMPT-QGZVFWFLSA-N 2 2 369.509 4.396 20 0 FIADLP Clc1scc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1Cl ZINC000432244152 1085944215 /nfs/dbraw/zinc/94/42/15/1085944215.db2.gz ACZYZOZFSDYZKM-UHFFFAOYSA-N 2 2 371.333 4.177 20 0 FIADLP CCc1onc(C)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167646874 1086015613 /nfs/dbraw/zinc/01/56/13/1086015613.db2.gz IHDYXPFOLSBFNN-CTNGQTDRSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1onc(C)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167646874 1086015623 /nfs/dbraw/zinc/01/56/23/1086015623.db2.gz IHDYXPFOLSBFNN-CTNGQTDRSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1onc(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001167646874 1086015635 /nfs/dbraw/zinc/01/56/35/1086015635.db2.gz IHDYXPFOLSBFNN-CTNGQTDRSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1onc(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001167646874 1086015648 /nfs/dbraw/zinc/01/56/48/1086015648.db2.gz IHDYXPFOLSBFNN-CTNGQTDRSA-N 2 2 353.510 4.032 20 0 FIADLP C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663350560 1086450886 /nfs/dbraw/zinc/45/08/86/1086450886.db2.gz BBEBEMMZOXTBIP-CQSZACIVSA-N 2 2 363.490 4.056 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000583290506 1086531005 /nfs/dbraw/zinc/53/10/05/1086531005.db2.gz ZOYHWNOSWSGQQH-RDPSFJRHSA-N 3 2 374.532 4.074 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000583290506 1086531010 /nfs/dbraw/zinc/53/10/10/1086531010.db2.gz ZOYHWNOSWSGQQH-RDPSFJRHSA-N 3 2 374.532 4.074 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCCS2 ZINC000663435247 1086540377 /nfs/dbraw/zinc/54/03/77/1086540377.db2.gz ANGRPGDKNXCDDR-OAHLLOKOSA-N 2 2 366.328 4.253 20 0 FIADLP c1cn(-c2ccccc2-c2noc([C@@H]3CC[C@H](c4ccccc4)C[NH2+]3)n2)c[nH+]1 ZINC001211577024 1086613709 /nfs/dbraw/zinc/61/37/09/1086613709.db2.gz MKKKEBZKVSZPGX-HKUYNNGSSA-N 2 2 371.444 4.131 20 0 FIADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000093076712 1086668945 /nfs/dbraw/zinc/66/89/45/1086668945.db2.gz YYCCYWWOGILPED-UHFFFAOYSA-N 2 2 367.518 4.147 20 0 FIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000093076712 1086668952 /nfs/dbraw/zinc/66/89/52/1086668952.db2.gz YYCCYWWOGILPED-UHFFFAOYSA-N 2 2 367.518 4.147 20 0 FIADLP C[C@@H](COc1ccc(C(C)(C)C)cc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512100948 1086768560 /nfs/dbraw/zinc/76/85/60/1086768560.db2.gz RIYXGSZXZGNUMG-HNNXBMFYSA-N 2 2 361.555 4.059 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(OC3CCCCC3)cc2)s1 ZINC000512134461 1086807455 /nfs/dbraw/zinc/80/74/55/1086807455.db2.gz ZORKOYQLDPIRTR-UHFFFAOYSA-N 2 2 359.539 4.206 20 0 FIADLP COc1cc(OC)cc(Oc2cccc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)c2)c1 ZINC000583887992 1087013774 /nfs/dbraw/zinc/01/37/74/1087013774.db2.gz NWWYPSDRIFRQHC-AEFFLSMTSA-N 2 2 370.493 4.068 20 0 FIADLP COc1cc(OC)cc(Oc2cccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)c2)c1 ZINC000583887992 1087013779 /nfs/dbraw/zinc/01/37/79/1087013779.db2.gz NWWYPSDRIFRQHC-AEFFLSMTSA-N 2 2 370.493 4.068 20 0 FIADLP COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000151664273 1087196949 /nfs/dbraw/zinc/19/69/49/1087196949.db2.gz GJPOWJDCPMFZKB-HOTGVXAUSA-N 2 2 351.450 4.301 20 0 FIADLP COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000151664450 1087197943 /nfs/dbraw/zinc/19/79/43/1087197943.db2.gz GJPOWJDCPMFZKB-JKSUJKDBSA-N 2 2 351.450 4.301 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cccc(N2CCCC2=O)c1 ZINC000151694794 1087211779 /nfs/dbraw/zinc/21/17/79/1087211779.db2.gz QYFOPNKIOMKVLU-ZWKOTPCHSA-N 2 2 374.488 4.411 20 0 FIADLP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961396 1087289374 /nfs/dbraw/zinc/28/93/74/1087289374.db2.gz ABHPYDGKEKGEIR-OCCSQVGLSA-N 2 2 357.845 4.054 20 0 FIADLP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961396 1087289385 /nfs/dbraw/zinc/28/93/85/1087289385.db2.gz ABHPYDGKEKGEIR-OCCSQVGLSA-N 2 2 357.845 4.054 20 0 FIADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000278745762 1087313081 /nfs/dbraw/zinc/31/30/81/1087313081.db2.gz VZEPBKXXDPAHHO-UHFFFAOYSA-N 2 2 357.445 4.292 20 0 FIADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000278745762 1087313086 /nfs/dbraw/zinc/31/30/86/1087313086.db2.gz VZEPBKXXDPAHHO-UHFFFAOYSA-N 2 2 357.445 4.292 20 0 FIADLP CC(C)OC(=O)C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000584437630 1087411509 /nfs/dbraw/zinc/41/15/09/1087411509.db2.gz QDLMGULDSFUXOY-LJQANCHMSA-N 2 2 369.490 4.106 20 0 FIADLP CCOc1ccccc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667029 1087413349 /nfs/dbraw/zinc/41/33/49/1087413349.db2.gz QVLBBGYXEFCHNQ-MSOLQXFVSA-N 2 2 353.510 4.357 20 0 FIADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cn(Cc3ccccc3)c3ccccc13)C2 ZINC000685629731 1087648775 /nfs/dbraw/zinc/64/87/75/1087648775.db2.gz SDQZJKXLRZHHKO-IBGZPJMESA-N 2 2 356.473 4.060 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000658194432 1087787100 /nfs/dbraw/zinc/78/71/00/1087787100.db2.gz JWYHCURATHQPMX-PMACEKPBSA-N 2 2 351.881 4.114 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)c1 ZINC000424259971 1087883117 /nfs/dbraw/zinc/88/31/17/1087883117.db2.gz NTANWXQODNYGCG-MRXNPFEDSA-N 2 2 374.912 4.032 20 0 FIADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000134314118 1087906805 /nfs/dbraw/zinc/90/68/05/1087906805.db2.gz XHGVXABDSMSLHD-INIZCTEOSA-N 2 2 350.293 4.346 20 0 FIADLP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889867 1088048611 /nfs/dbraw/zinc/04/86/11/1088048611.db2.gz VSOGQLKGSZCKSV-MRXNPFEDSA-N 2 2 374.554 4.447 20 0 FIADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1)CC2 ZINC000423235621 1088077116 /nfs/dbraw/zinc/07/71/16/1088077116.db2.gz GSQCLFSZUWJBPK-VQTJNVASSA-N 2 2 354.494 4.104 20 0 FIADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1)CC2 ZINC000423235620 1088078540 /nfs/dbraw/zinc/07/85/40/1088078540.db2.gz GSQCLFSZUWJBPK-UXHICEINSA-N 2 2 354.494 4.104 20 0 FIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(Oc3cnccn3)cc2)cc1 ZINC000414845183 1088581162 /nfs/dbraw/zinc/58/11/62/1088581162.db2.gz LVGMCHMWOLULFO-NRFANRHFSA-N 2 2 362.477 4.182 20 0 FIADLP c1c[nH]c([C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C2CCCCC2)n1 ZINC000514090624 1088735166 /nfs/dbraw/zinc/73/51/66/1088735166.db2.gz VXRHDLXUNKQMSW-JOCHJYFZSA-N 2 2 366.553 4.328 20 0 FIADLP Cc1ccc2c(C[NH2+][C@@H](C)c3cccc(-n4cc[nH+]c4)c3)ccc(O)c2n1 ZINC000514235445 1088925944 /nfs/dbraw/zinc/92/59/44/1088925944.db2.gz CDQZAQVKWLTGKS-INIZCTEOSA-N 2 2 358.445 4.285 20 0 FIADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000434746881 1089016413 /nfs/dbraw/zinc/01/64/13/1089016413.db2.gz PBFDGUILCPESNX-WMQCIHAUSA-N 2 2 355.913 4.347 20 0 FIADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000434746881 1089016432 /nfs/dbraw/zinc/01/64/32/1089016432.db2.gz PBFDGUILCPESNX-WMQCIHAUSA-N 2 2 355.913 4.347 20 0 FIADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000434746881 1089016450 /nfs/dbraw/zinc/01/64/50/1089016450.db2.gz PBFDGUILCPESNX-WMQCIHAUSA-N 2 2 355.913 4.347 20 0 FIADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000434746881 1089016468 /nfs/dbraw/zinc/01/64/68/1089016468.db2.gz PBFDGUILCPESNX-WMQCIHAUSA-N 2 2 355.913 4.347 20 0 FIADLP C[C@@H]([NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@H]1CCC[NH2+]C1 ZINC000414855401 1089054841 /nfs/dbraw/zinc/05/48/41/1089054841.db2.gz NCUFHNQTMJLILI-OCCSQVGLSA-N 2 2 369.456 4.307 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000435136609 1089320290 /nfs/dbraw/zinc/32/02/90/1089320290.db2.gz FKVUIGHNGURTTQ-HKUYNNGSSA-N 2 2 364.493 4.155 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)CC[N@H+]1Cc1ccccc1 ZINC000435136609 1089320305 /nfs/dbraw/zinc/32/03/05/1089320305.db2.gz FKVUIGHNGURTTQ-HKUYNNGSSA-N 2 2 364.493 4.155 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)CC[NH+]1Cc1ccccc1 ZINC000435136609 1089320320 /nfs/dbraw/zinc/32/03/20/1089320320.db2.gz FKVUIGHNGURTTQ-HKUYNNGSSA-N 2 2 364.493 4.155 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)CC[NH+]1Cc1ccccc1 ZINC000435136609 1089320332 /nfs/dbraw/zinc/32/03/32/1089320332.db2.gz FKVUIGHNGURTTQ-HKUYNNGSSA-N 2 2 364.493 4.155 20 0 FIADLP CC(C)Oc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435395858 1089601305 /nfs/dbraw/zinc/60/13/05/1089601305.db2.gz VKCGWXUKINYFJN-NRFANRHFSA-N 2 2 353.510 4.013 20 0 FIADLP CC(C)Oc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435395858 1089601319 /nfs/dbraw/zinc/60/13/19/1089601319.db2.gz VKCGWXUKINYFJN-NRFANRHFSA-N 2 2 353.510 4.013 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(N(C)c3ccccc3)nc1)CCC2 ZINC000435789066 1089934297 /nfs/dbraw/zinc/93/42/97/1089934297.db2.gz VYRRCBKWEAHVRK-LJQANCHMSA-N 2 2 361.493 4.022 20 0 FIADLP Brc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000188092524 1090166783 /nfs/dbraw/zinc/16/67/83/1090166783.db2.gz FCKZAMZLOUEJJX-LJQANCHMSA-N 2 2 370.294 4.415 20 0 FIADLP C[N@@H+]1CC[C@H]2CC[NH+](CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@@H]2C1 ZINC000549402550 1090232928 /nfs/dbraw/zinc/23/29/28/1090232928.db2.gz DDPJXODTPNFWID-PGRDOPGGSA-N 2 2 356.460 4.123 20 0 FIADLP C[N@H+]1CC[C@H]2CC[NH+](CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@@H]2C1 ZINC000549402550 1090232934 /nfs/dbraw/zinc/23/29/34/1090232934.db2.gz DDPJXODTPNFWID-PGRDOPGGSA-N 2 2 356.460 4.123 20 0 FIADLP C[NH+]1CC[C@H]2CC[N@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@@H]2C1 ZINC000549402550 1090232941 /nfs/dbraw/zinc/23/29/41/1090232941.db2.gz DDPJXODTPNFWID-PGRDOPGGSA-N 2 2 356.460 4.123 20 0 FIADLP C[NH+]1CC[C@H]2CC[N@@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@@H]2C1 ZINC000549402550 1090232945 /nfs/dbraw/zinc/23/29/45/1090232945.db2.gz DDPJXODTPNFWID-PGRDOPGGSA-N 2 2 356.460 4.123 20 0 FIADLP C[C@@H]([NH2+]Cc1nsc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000660218972 1090897825 /nfs/dbraw/zinc/89/78/25/1090897825.db2.gz BAHPCEUJFVHLMB-AEFFLSMTSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@@H]([NH2+]Cc1nsc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000660218972 1090897833 /nfs/dbraw/zinc/89/78/33/1090897833.db2.gz BAHPCEUJFVHLMB-AEFFLSMTSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000390519701 1091162678 /nfs/dbraw/zinc/16/26/78/1091162678.db2.gz FSMVHZYGHNLXAZ-QPPBQGQZSA-N 3 2 365.565 4.151 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000390519701 1091162680 /nfs/dbraw/zinc/16/26/80/1091162680.db2.gz FSMVHZYGHNLXAZ-QPPBQGQZSA-N 3 2 365.565 4.151 20 0 FIADLP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1OC ZINC000390648965 1091359441 /nfs/dbraw/zinc/35/94/41/1091359441.db2.gz MXABGZDZGXWJEL-NRFANRHFSA-N 2 2 368.521 4.094 20 0 FIADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1OC ZINC000390648965 1091359449 /nfs/dbraw/zinc/35/94/49/1091359449.db2.gz MXABGZDZGXWJEL-NRFANRHFSA-N 2 2 368.521 4.094 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000500372942 1091379141 /nfs/dbraw/zinc/37/91/41/1091379141.db2.gz QPXJSYLERQYCKD-RFWXGWTQSA-N 2 2 364.537 4.318 20 0 FIADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000511738811 1091582396 /nfs/dbraw/zinc/58/23/96/1091582396.db2.gz QXUUQHWWHYFNFB-QGZVFWFLSA-N 2 2 359.539 4.283 20 0 FIADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000511738811 1091582404 /nfs/dbraw/zinc/58/24/04/1091582404.db2.gz QXUUQHWWHYFNFB-QGZVFWFLSA-N 2 2 359.539 4.283 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511751896 1091616317 /nfs/dbraw/zinc/61/63/17/1091616317.db2.gz BCQYLWAOANJNQM-WXFUMESZSA-N 2 2 373.500 4.185 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511751896 1091616321 /nfs/dbraw/zinc/61/63/21/1091616321.db2.gz BCQYLWAOANJNQM-WXFUMESZSA-N 2 2 373.500 4.185 20 0 FIADLP Fc1ccc(/C=C\C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1F ZINC000511764086 1091648555 /nfs/dbraw/zinc/64/85/55/1091648555.db2.gz BPYBECXXTUADIO-UPHRSURJSA-N 2 2 374.397 4.373 20 0 FIADLP Cc1cc(C(F)(F)F)cc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)[nH+]1 ZINC000663735205 1091834119 /nfs/dbraw/zinc/83/41/19/1091834119.db2.gz CXBYXJZIIRLHRI-CQSZACIVSA-N 2 2 364.415 4.441 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000512211527 1091914280 /nfs/dbraw/zinc/91/42/80/1091914280.db2.gz HWJIFHXKYSITJA-MOPGFXCFSA-N 2 2 370.516 4.098 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000512211527 1091914283 /nfs/dbraw/zinc/91/42/83/1091914283.db2.gz HWJIFHXKYSITJA-MOPGFXCFSA-N 2 2 370.516 4.098 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000512211527 1091914288 /nfs/dbraw/zinc/91/42/88/1091914288.db2.gz HWJIFHXKYSITJA-MOPGFXCFSA-N 2 2 370.516 4.098 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000512211527 1091914291 /nfs/dbraw/zinc/91/42/91/1091914291.db2.gz HWJIFHXKYSITJA-MOPGFXCFSA-N 2 2 370.516 4.098 20 0 FIADLP CCCCCN(C)c1ccc(F)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000512355081 1092126390 /nfs/dbraw/zinc/12/63/90/1092126390.db2.gz QBEDWHIYEMDFRM-UHFFFAOYSA-N 2 2 358.505 4.486 20 0 FIADLP Cc1cc(Cl)cc(C)c1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512359619 1092156954 /nfs/dbraw/zinc/15/69/54/1092156954.db2.gz JQMMXBFCMICBFG-UHFFFAOYSA-N 2 2 371.956 4.491 20 0 FIADLP Cc1cc(Cl)cc(C)c1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512359619 1092156960 /nfs/dbraw/zinc/15/69/60/1092156960.db2.gz JQMMXBFCMICBFG-UHFFFAOYSA-N 2 2 371.956 4.491 20 0 FIADLP CCc1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)o1 ZINC000428218577 1092268309 /nfs/dbraw/zinc/26/83/09/1092268309.db2.gz MPVGHVZXEDMQPJ-QFIPXVFZSA-N 2 2 353.510 4.034 20 0 FIADLP CCc1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)o1 ZINC000428218577 1092268318 /nfs/dbraw/zinc/26/83/18/1092268318.db2.gz MPVGHVZXEDMQPJ-QFIPXVFZSA-N 2 2 353.510 4.034 20 0 FIADLP CCc1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)o1 ZINC000428218577 1092268327 /nfs/dbraw/zinc/26/83/27/1092268327.db2.gz MPVGHVZXEDMQPJ-QFIPXVFZSA-N 2 2 353.510 4.034 20 0 FIADLP CCc1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)o1 ZINC000428218577 1092268338 /nfs/dbraw/zinc/26/83/38/1092268338.db2.gz MPVGHVZXEDMQPJ-QFIPXVFZSA-N 2 2 353.510 4.034 20 0 FIADLP Fc1ccc2c(cc[nH+]c2NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000520802305 1092277313 /nfs/dbraw/zinc/27/73/13/1092277313.db2.gz DIAMNDVUDKQBQA-UHFFFAOYSA-N 2 2 367.390 4.013 20 0 FIADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000512414046 1092278778 /nfs/dbraw/zinc/27/87/78/1092278778.db2.gz CJAWQJOZDCNLIY-UHFFFAOYSA-N 2 2 350.506 4.326 20 0 FIADLP C[C@@H]1CC([NH+]2C(C)(C)CC([NH3+])CC2(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012461 1092339316 /nfs/dbraw/zinc/33/93/16/1092339316.db2.gz ANVXJIAWGSJMRN-QZTJIDSGSA-N 3 2 357.586 4.408 20 0 FIADLP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc(C(C)C)n4ccccc34)C2)[nH+]1 ZINC000521053732 1092449582 /nfs/dbraw/zinc/44/95/82/1092449582.db2.gz XCBLRMAKUKAUCU-SFHVURJKSA-N 2 2 363.509 4.095 20 0 FIADLP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nc(C(C)C)n4ccccc34)C2)[nH+]1 ZINC000521053732 1092449598 /nfs/dbraw/zinc/44/95/98/1092449598.db2.gz XCBLRMAKUKAUCU-SFHVURJKSA-N 2 2 363.509 4.095 20 0 FIADLP Cc1cccc(NC[C@@H]2CCN(Cc3[nH+]c(C(C)C)n4ccccc34)C2)[nH+]1 ZINC000521053732 1092449610 /nfs/dbraw/zinc/44/96/10/1092449610.db2.gz XCBLRMAKUKAUCU-SFHVURJKSA-N 2 2 363.509 4.095 20 0 FIADLP COC(=O)c1cc([C@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)oc1C ZINC000432836028 1092583792 /nfs/dbraw/zinc/58/37/92/1092583792.db2.gz RNTRCYVLDUWWRR-WMZOPIPTSA-N 2 2 362.514 4.024 20 0 FIADLP COC(=O)c1cc([C@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)oc1C ZINC000432836028 1092583802 /nfs/dbraw/zinc/58/38/02/1092583802.db2.gz RNTRCYVLDUWWRR-WMZOPIPTSA-N 2 2 362.514 4.024 20 0 FIADLP Cc1cc(-c2noc([C@H](C)[N@@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)n2)ccc1F ZINC000245572078 1092664403 /nfs/dbraw/zinc/66/44/03/1092664403.db2.gz GWBBYACWVZJDHF-QIIPPGSGSA-N 2 2 369.444 4.025 20 0 FIADLP Cc1cc(-c2noc([C@H](C)[N@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)n2)ccc1F ZINC000245572078 1092664411 /nfs/dbraw/zinc/66/44/11/1092664411.db2.gz GWBBYACWVZJDHF-QIIPPGSGSA-N 2 2 369.444 4.025 20 0 FIADLP c1ccc2c(c1)C[NH2+][C@@H](c1nc(-c3cccc(C[NH+]4CCCCC4)c3)no1)C2 ZINC000442749730 1092755457 /nfs/dbraw/zinc/75/54/57/1092755457.db2.gz NKPZMWGDHWXOTP-OAQYLSRUSA-N 2 2 374.488 4.110 20 0 FIADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000442857991 1092829232 /nfs/dbraw/zinc/82/92/32/1092829232.db2.gz HHNSTSGQMGPPCT-QUCCMNQESA-N 2 2 370.562 4.350 20 0 FIADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000442857991 1092829242 /nfs/dbraw/zinc/82/92/42/1092829242.db2.gz HHNSTSGQMGPPCT-QUCCMNQESA-N 2 2 370.562 4.350 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nc(C2CC2)cs1 ZINC000469756086 1092869119 /nfs/dbraw/zinc/86/91/19/1092869119.db2.gz FEYCHTAEDNOGTQ-JIPZTSHUSA-N 2 2 355.551 4.267 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nc(C2CC2)cs1 ZINC000469756086 1092869133 /nfs/dbraw/zinc/86/91/33/1092869133.db2.gz FEYCHTAEDNOGTQ-JIPZTSHUSA-N 2 2 355.551 4.267 20 0 FIADLP C[C@@H]1CC([NH2+]CCC[N@H+]2CCCC[C@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168015285 1092998349 /nfs/dbraw/zinc/99/83/49/1092998349.db2.gz QMDRBHSAFFVSEB-NJDAHSKKSA-N 3 2 357.586 4.282 20 0 FIADLP C[C@@H]1CC([NH2+]CCC[N@@H+]2CCCC[C@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168015285 1092998353 /nfs/dbraw/zinc/99/83/53/1092998353.db2.gz QMDRBHSAFFVSEB-NJDAHSKKSA-N 3 2 357.586 4.282 20 0 FIADLP COc1cccc(OC)c1C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015909 1093053862 /nfs/dbraw/zinc/05/38/62/1093053862.db2.gz TXMKTWKUQAYQTN-ROUUACIJSA-N 2 2 368.521 4.235 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419225691 1093063385 /nfs/dbraw/zinc/06/33/85/1093063385.db2.gz HOAKWNFMFIXJQJ-HNNXBMFYSA-N 2 2 370.884 4.183 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419225691 1093063395 /nfs/dbraw/zinc/06/33/95/1093063395.db2.gz HOAKWNFMFIXJQJ-HNNXBMFYSA-N 2 2 370.884 4.183 20 0 FIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C1CC1 ZINC000474055657 1093159994 /nfs/dbraw/zinc/15/99/94/1093159994.db2.gz IWPQXTXVUNBYOH-WBADGQHESA-N 2 2 356.554 4.082 20 0 FIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C1CC1 ZINC000474055657 1093159998 /nfs/dbraw/zinc/15/99/98/1093159998.db2.gz IWPQXTXVUNBYOH-WBADGQHESA-N 2 2 356.554 4.082 20 0 FIADLP C[C@@H]1CC([NH2+][C@@H](CO)c2cccc(Cl)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018137 1093164483 /nfs/dbraw/zinc/16/44/83/1093164483.db2.gz BTBONRNAFDYIRU-YVHKJVDXSA-N 2 2 372.940 4.405 20 0 FIADLP CCCC[C@H]1CC[C@H](c2ccc(-c3noc([C@H]4C[NH2+]C[C@@H]4[NH3+])n3)cc2)CC1 ZINC001211755357 1093180526 /nfs/dbraw/zinc/18/05/26/1093180526.db2.gz JDGSZAOKHCTSPW-FVCZOJIISA-N 2 2 368.525 4.215 20 0 FIADLP C[C@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000433078678 1093206970 /nfs/dbraw/zinc/20/69/70/1093206970.db2.gz SZAASOPNPBRYBY-RHKCVOJBSA-N 2 2 361.489 4.079 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1OC(F)F ZINC000152265434 1093243674 /nfs/dbraw/zinc/24/36/74/1093243674.db2.gz BAOPPKVCESINSS-CYBMUJFWSA-N 2 2 361.367 4.464 20 0 FIADLP C[C@@H]1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168022651 1093312864 /nfs/dbraw/zinc/31/28/64/1093312864.db2.gz AVOOOVGUTFYMBP-QPJZEMMPSA-N 3 2 355.570 4.033 20 0 FIADLP C[C@@H]1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168022651 1093312870 /nfs/dbraw/zinc/31/28/70/1093312870.db2.gz AVOOOVGUTFYMBP-QPJZEMMPSA-N 3 2 355.570 4.033 20 0 FIADLP C[N@H+](CCC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)Cc1ccccc1 ZINC000512814020 1093385921 /nfs/dbraw/zinc/38/59/21/1093385921.db2.gz BUPVVMDJYLKKGI-UHFFFAOYSA-N 2 2 368.912 4.137 20 0 FIADLP C[N@@H+](CCC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)Cc1ccccc1 ZINC000512814020 1093385928 /nfs/dbraw/zinc/38/59/28/1093385928.db2.gz BUPVVMDJYLKKGI-UHFFFAOYSA-N 2 2 368.912 4.137 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000191495247 1093399970 /nfs/dbraw/zinc/39/99/70/1093399970.db2.gz JLBFBBZZFWJDCG-UHFFFAOYSA-N 2 2 373.888 4.061 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000191495247 1093399975 /nfs/dbraw/zinc/39/99/75/1093399975.db2.gz JLBFBBZZFWJDCG-UHFFFAOYSA-N 2 2 373.888 4.061 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000191512944 1093419373 /nfs/dbraw/zinc/41/93/73/1093419373.db2.gz FWSPWHJAXRMIBJ-UHFFFAOYSA-N 2 2 371.916 4.197 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000191512944 1093419379 /nfs/dbraw/zinc/41/93/79/1093419379.db2.gz FWSPWHJAXRMIBJ-UHFFFAOYSA-N 2 2 371.916 4.197 20 0 FIADLP COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000509815763 1093425488 /nfs/dbraw/zinc/42/54/88/1093425488.db2.gz ZINRGNOSVLKQOJ-UYRXBGFRSA-N 2 2 361.489 4.271 20 0 FIADLP C[C@H]1CC([NH2+]C2CC[NH+](C3CCCC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168027992 1093528537 /nfs/dbraw/zinc/52/85/37/1093528537.db2.gz NWQLTFDDGDCBFH-PMACEKPBSA-N 3 2 369.597 4.425 20 0 FIADLP Fc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2cccs2)cc1 ZINC000655682395 1093569185 /nfs/dbraw/zinc/56/91/85/1093569185.db2.gz DKPSCQINQKESGJ-PZJWPPBQSA-N 2 2 374.525 4.210 20 0 FIADLP CC(C)Cc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000894140918 1093603078 /nfs/dbraw/zinc/60/30/78/1093603078.db2.gz HWGRWEMFQDJMNJ-UHFFFAOYSA-N 2 2 369.475 4.175 20 0 FIADLP C[NH+](C)Cc1ccc(-c2noc([C@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)cc1 ZINC001211884882 1093630794 /nfs/dbraw/zinc/63/07/94/1093630794.db2.gz ICKYJEUEVBLSBE-WOJBJXKFSA-N 2 2 362.477 4.354 20 0 FIADLP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000513091080 1093828362 /nfs/dbraw/zinc/82/83/62/1093828362.db2.gz XUXXWRCBLJQCAL-MDNUFGMLSA-N 2 2 361.489 4.313 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000513411115 1094099415 /nfs/dbraw/zinc/09/94/15/1094099415.db2.gz JZLIQBYEBWKCNF-GOSISDBHSA-N 2 2 356.514 4.066 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000513411115 1094099421 /nfs/dbraw/zinc/09/94/21/1094099421.db2.gz JZLIQBYEBWKCNF-GOSISDBHSA-N 2 2 356.514 4.066 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513430617 1094119221 /nfs/dbraw/zinc/11/92/21/1094119221.db2.gz XBTPRECZOOPMML-FQEVSTJZSA-N 2 2 360.590 4.343 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513430617 1094119223 /nfs/dbraw/zinc/11/92/23/1094119223.db2.gz XBTPRECZOOPMML-FQEVSTJZSA-N 2 2 360.590 4.343 20 0 FIADLP C[C@H]1CC([NH2+][C@H](CO)c2ccccc2Cl)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168036620 1094294669 /nfs/dbraw/zinc/29/46/69/1094294669.db2.gz VIXZYQONZYWNSD-PNLZDCPESA-N 2 2 372.940 4.405 20 0 FIADLP COCCC[NH+]1CCC([NH2+]Cc2c(Cl)cccc2SC(C)C)CC1 ZINC000474602998 1094389404 /nfs/dbraw/zinc/38/94/04/1094389404.db2.gz DEZMCIZNRMSVPB-UHFFFAOYSA-N 2 2 370.990 4.431 20 0 FIADLP C[C@H]1CC([NH2+]Cc2cncnc2C(C)(F)F)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040502 1094514641 /nfs/dbraw/zinc/51/46/41/1094514641.db2.gz NNDYWCPXUNJOIW-HOTGVXAUSA-N 2 2 374.479 4.120 20 0 FIADLP CC(C)(C)c1cc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)no1 ZINC000420319574 1094882478 /nfs/dbraw/zinc/88/24/78/1094882478.db2.gz XTMQAHMPUQRVLX-QGZVFWFLSA-N 2 2 359.539 4.178 20 0 FIADLP CC(C)(C)c1cc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)no1 ZINC000420319574 1094882501 /nfs/dbraw/zinc/88/25/01/1094882501.db2.gz XTMQAHMPUQRVLX-QGZVFWFLSA-N 2 2 359.539 4.178 20 0 FIADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCC(=O)Nc3ccccc31)C2 ZINC000329597840 1094990446 /nfs/dbraw/zinc/99/04/46/1094990446.db2.gz PNSUQEZETBCFTE-RHSMWYFYSA-N 2 2 352.482 4.208 20 0 FIADLP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1F ZINC000420948975 1095190880 /nfs/dbraw/zinc/19/08/80/1095190880.db2.gz QBZQUHZWDJLLQM-JOCHJYFZSA-N 2 2 374.475 4.284 20 0 FIADLP Cc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000522649545 1095216393 /nfs/dbraw/zinc/21/63/93/1095216393.db2.gz PDNSDZONRDRLRY-CQSZACIVSA-N 2 2 365.399 4.116 20 0 FIADLP FC(F)C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000421003525 1095239483 /nfs/dbraw/zinc/23/94/83/1095239483.db2.gz YZZRVFPBZHTKJR-HXUWFJFHSA-N 2 2 360.448 4.005 20 0 FIADLP COc1ccc([C@H](C)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502345082 1095382496 /nfs/dbraw/zinc/38/24/96/1095382496.db2.gz XKSMYFKYRCCQLK-IEBWSBKVSA-N 2 2 353.510 4.211 20 0 FIADLP COc1ccc([C@H](C)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502345082 1095382515 /nfs/dbraw/zinc/38/25/15/1095382515.db2.gz XKSMYFKYRCCQLK-IEBWSBKVSA-N 2 2 353.510 4.211 20 0 FIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cnn(C2CCCC2)c1 ZINC000502684852 1095714168 /nfs/dbraw/zinc/71/41/68/1095714168.db2.gz NXSZLIIHBMERGW-GOSISDBHSA-N 2 2 352.526 4.097 20 0 FIADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cnn(C2CCCC2)c1 ZINC000502684852 1095714176 /nfs/dbraw/zinc/71/41/76/1095714176.db2.gz NXSZLIIHBMERGW-GOSISDBHSA-N 2 2 352.526 4.097 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(c1ccccc1)c1ccccc1 ZINC000655699921 1095813422 /nfs/dbraw/zinc/81/34/22/1095813422.db2.gz HWTASYDLIPKASE-CVDCTZTESA-N 2 2 364.533 4.050 20 0 FIADLP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cnc21 ZINC000103229132 1095951521 /nfs/dbraw/zinc/95/15/21/1095951521.db2.gz DRHTWFYURDGFDN-IBGZPJMESA-N 2 2 369.557 4.100 20 0 FIADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cnc21 ZINC000103229132 1095951524 /nfs/dbraw/zinc/95/15/24/1095951524.db2.gz DRHTWFYURDGFDN-IBGZPJMESA-N 2 2 369.557 4.100 20 0 FIADLP Clc1cccc(OCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503388732 1096377214 /nfs/dbraw/zinc/37/72/14/1096377214.db2.gz DVABXNJZHNLQML-MRXNPFEDSA-N 2 2 359.901 4.131 20 0 FIADLP Clc1cccc(OCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503388732 1096377220 /nfs/dbraw/zinc/37/72/20/1096377220.db2.gz DVABXNJZHNLQML-MRXNPFEDSA-N 2 2 359.901 4.131 20 0 FIADLP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000422720673 1096470571 /nfs/dbraw/zinc/47/05/71/1096470571.db2.gz SWYHGLKKNRZIRF-IBGZPJMESA-N 3 2 362.521 4.206 20 0 FIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)c2ccccc21 ZINC000422767124 1096485693 /nfs/dbraw/zinc/48/56/93/1096485693.db2.gz SQFHPRZCHDQSNK-IXDOHACOSA-N 2 2 359.267 4.007 20 0 FIADLP [NH3+][C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000422778893 1096488836 /nfs/dbraw/zinc/48/88/36/1096488836.db2.gz FGMKEJRPCHZNAT-LEWJYISDSA-N 2 2 355.913 4.039 20 0 FIADLP Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cnn1-c1ccc(F)cc1 ZINC000422784736 1096490201 /nfs/dbraw/zinc/49/02/01/1096490201.db2.gz OICXYPVBOJXITP-SKOKVVANSA-N 2 2 350.441 4.115 20 0 FIADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422990331 1096539999 /nfs/dbraw/zinc/53/99/99/1096539999.db2.gz BQXSUENXLMXBDJ-PKTZIBPZSA-N 3 2 361.489 4.146 20 0 FIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422990331 1096540008 /nfs/dbraw/zinc/54/00/08/1096540008.db2.gz BQXSUENXLMXBDJ-PKTZIBPZSA-N 3 2 361.489 4.146 20 0 FIADLP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423040866 1096556747 /nfs/dbraw/zinc/55/67/47/1096556747.db2.gz IEJUBDBGFXXWEI-GBAJDQEWSA-N 2 2 360.542 4.062 20 0 FIADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(Oc2ccccc2)cn1 ZINC000423190252 1096612395 /nfs/dbraw/zinc/61/23/95/1096612395.db2.gz QTEIOUYSLHPCTL-GOSISDBHSA-N 2 2 362.477 4.099 20 0 FIADLP C[C@H]([NH3+])CC[NH2+][C@H](c1ccccc1)c1cc(Br)ccc1F ZINC000423226080 1096622885 /nfs/dbraw/zinc/62/28/85/1096622885.db2.gz PISBABLSDYACLE-YVEFUNNKSA-N 2 2 351.263 4.005 20 0 FIADLP [NH3+][C@H](C[NH2+][C@@H](c1ccc(Br)s1)C1CC1)c1ccccc1 ZINC000423250067 1096629479 /nfs/dbraw/zinc/62/94/79/1096629479.db2.gz ULUQYLASQRBONJ-CZUORRHYSA-N 2 2 351.313 4.251 20 0 FIADLP C[N@@H+](Cc1cnc(-c2ccccc2)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000533311123 1098946530 /nfs/dbraw/zinc/94/65/30/1098946530.db2.gz OVEKZRPBJSSXOU-OAQYLSRUSA-N 2 2 372.516 4.098 20 0 FIADLP C[N@H+](Cc1cnc(-c2ccccc2)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000533311123 1098946535 /nfs/dbraw/zinc/94/65/35/1098946535.db2.gz OVEKZRPBJSSXOU-OAQYLSRUSA-N 2 2 372.516 4.098 20 0 FIADLP C[NH+](Cc1cnc(-c2ccccc2)nc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000533311123 1098946537 /nfs/dbraw/zinc/94/65/37/1098946537.db2.gz OVEKZRPBJSSXOU-OAQYLSRUSA-N 2 2 372.516 4.098 20 0 FIADLP C[NH+](Cc1cnc(-c2ccccc2)nc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000533311123 1098946539 /nfs/dbraw/zinc/94/65/39/1098946539.db2.gz OVEKZRPBJSSXOU-OAQYLSRUSA-N 2 2 372.516 4.098 20 0 FIADLP Cc1cc(C)c(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC000455508455 1099292718 /nfs/dbraw/zinc/29/27/18/1099292718.db2.gz ZYVIITJEOOURJJ-QZTJIDSGSA-N 2 2 366.509 4.134 20 0 FIADLP Cc1cc(C)c(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC000455508455 1099292720 /nfs/dbraw/zinc/29/27/20/1099292720.db2.gz ZYVIITJEOOURJJ-QZTJIDSGSA-N 2 2 366.509 4.134 20 0 FIADLP CCn1ccnc1C[N@H+](Cc1ccc(C)c(Cl)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000262038237 1099688585 /nfs/dbraw/zinc/68/85/85/1099688585.db2.gz XYMUDXLUXMPSSC-IBGZPJMESA-N 2 2 372.944 4.009 20 0 FIADLP CCn1ccnc1C[N@@H+](Cc1ccc(C)c(Cl)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000262038237 1099688595 /nfs/dbraw/zinc/68/85/95/1099688595.db2.gz XYMUDXLUXMPSSC-IBGZPJMESA-N 2 2 372.944 4.009 20 0 FIADLP CC(C)(C)n1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(-c2ccccc2Cl)n1 ZINC000262125446 1099694947 /nfs/dbraw/zinc/69/49/47/1099694947.db2.gz XSSONYSYILYDAV-OAQYLSRUSA-N 2 2 372.944 4.144 20 0 FIADLP CC(C)(C)n1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(-c2ccccc2Cl)n1 ZINC000262125446 1099694953 /nfs/dbraw/zinc/69/49/53/1099694953.db2.gz XSSONYSYILYDAV-OAQYLSRUSA-N 2 2 372.944 4.144 20 0 FIADLP C[C@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508694140 1099826943 /nfs/dbraw/zinc/82/69/43/1099826943.db2.gz FDJLWAJBIRITMJ-HKUYNNGSSA-N 2 2 364.468 4.334 20 0 FIADLP C[C@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508694140 1099826949 /nfs/dbraw/zinc/82/69/49/1099826949.db2.gz FDJLWAJBIRITMJ-HKUYNNGSSA-N 2 2 364.468 4.334 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000508703637 1099858256 /nfs/dbraw/zinc/85/82/56/1099858256.db2.gz ZEWFWECILGOBCE-JTAQYXEDSA-N 3 2 374.532 4.434 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000508703637 1099858269 /nfs/dbraw/zinc/85/82/69/1099858269.db2.gz ZEWFWECILGOBCE-JTAQYXEDSA-N 3 2 374.532 4.434 20 0 FIADLP COc1ccc(-c2ccccc2C)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459397722 1100123758 /nfs/dbraw/zinc/12/37/58/1100123758.db2.gz YDNDWKJGYXOOLN-UHFFFAOYSA-N 2 2 350.506 4.387 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C[C@@H]1C ZINC000536659654 1100129701 /nfs/dbraw/zinc/12/97/01/1100129701.db2.gz FVMLAEGVFNHJFH-YWZLYKJASA-N 2 2 374.960 4.447 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C[C@@H]1C ZINC000536659654 1100129710 /nfs/dbraw/zinc/12/97/10/1100129710.db2.gz FVMLAEGVFNHJFH-YWZLYKJASA-N 2 2 374.960 4.447 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C[C@@H]1C ZINC000536659654 1100129720 /nfs/dbraw/zinc/12/97/20/1100129720.db2.gz FVMLAEGVFNHJFH-YWZLYKJASA-N 2 2 374.960 4.447 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C[C@@H]1C ZINC000536659654 1100129733 /nfs/dbraw/zinc/12/97/33/1100129733.db2.gz FVMLAEGVFNHJFH-YWZLYKJASA-N 2 2 374.960 4.447 20 0 FIADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(C)c(Br)s2)C1 ZINC000536675222 1100164651 /nfs/dbraw/zinc/16/46/51/1100164651.db2.gz GAPAAQJARMEGMR-ZDUSSCGKSA-N 2 2 368.344 4.415 20 0 FIADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(C)c(Br)s2)C1 ZINC000536675222 1100164663 /nfs/dbraw/zinc/16/46/63/1100164663.db2.gz GAPAAQJARMEGMR-ZDUSSCGKSA-N 2 2 368.344 4.415 20 0 FIADLP CCOc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc(Cl)c1OC ZINC000536678302 1100170811 /nfs/dbraw/zinc/17/08/11/1100170811.db2.gz POYKYUNGYOHYRM-MRXNPFEDSA-N 2 2 354.922 4.054 20 0 FIADLP CCOc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc(Cl)c1OC ZINC000536678302 1100170817 /nfs/dbraw/zinc/17/08/17/1100170817.db2.gz POYKYUNGYOHYRM-MRXNPFEDSA-N 2 2 354.922 4.054 20 0 FIADLP CCOc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc(Cl)c1OC ZINC000536678302 1100170823 /nfs/dbraw/zinc/17/08/23/1100170823.db2.gz POYKYUNGYOHYRM-MRXNPFEDSA-N 2 2 354.922 4.054 20 0 FIADLP CCOc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc(Cl)c1OC ZINC000536678302 1100170829 /nfs/dbraw/zinc/17/08/29/1100170829.db2.gz POYKYUNGYOHYRM-MRXNPFEDSA-N 2 2 354.922 4.054 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]CCCCOc2ccccc2)CC1 ZINC000437783744 1100174967 /nfs/dbraw/zinc/17/49/67/1100174967.db2.gz ATIQVVIBGWEXCV-IBGZPJMESA-N 2 2 353.510 4.056 20 0 FIADLP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000536841431 1100353139 /nfs/dbraw/zinc/35/31/39/1100353139.db2.gz WDMDCTBJAVFFTQ-ROUUACIJSA-N 2 2 353.510 4.275 20 0 FIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cnn(C(C)C)c2)c(C)c1 ZINC000536841497 1100353375 /nfs/dbraw/zinc/35/33/75/1100353375.db2.gz XSABBJOECUVUPB-WIYYLYMNSA-N 2 2 351.498 4.369 20 0 FIADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(-c3ccccc3F)s2)C[C@@H](C)O1 ZINC000517540679 1100463782 /nfs/dbraw/zinc/46/37/82/1100463782.db2.gz BVIAZVQZSDXNJA-HZPDHXFCSA-N 2 2 362.514 4.143 20 0 FIADLP C[C@H](C[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1)Cn1cc[nH+]c1 ZINC000517562151 1100498901 /nfs/dbraw/zinc/49/89/01/1100498901.db2.gz ZCJDYMYKXMYKDR-OAHLLOKOSA-N 2 2 357.404 4.380 20 0 FIADLP Cc1ccc2cc([C@@H](C)Nc3ccc(N4CC[C@@H]([NH+](C)C)C4)c[nH+]3)oc2c1 ZINC000426057918 1100736888 /nfs/dbraw/zinc/73/68/88/1100736888.db2.gz CKBBYFXITLFFMD-VQIMIIECSA-N 2 2 364.493 4.450 20 0 FIADLP CC[N@H+](CCC1CC[NH+](Cc2c(F)ccc(O)c2F)CC1)CC1CC1 ZINC000509561591 1100962419 /nfs/dbraw/zinc/96/24/19/1100962419.db2.gz RSBRHGFAGHWTQP-UHFFFAOYSA-N 2 2 352.469 4.004 20 0 FIADLP CC[N@@H+](CCC1CC[NH+](Cc2c(F)ccc(O)c2F)CC1)CC1CC1 ZINC000509561591 1100962424 /nfs/dbraw/zinc/96/24/24/1100962424.db2.gz RSBRHGFAGHWTQP-UHFFFAOYSA-N 2 2 352.469 4.004 20 0 FIADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000439002936 1101072498 /nfs/dbraw/zinc/07/24/98/1101072498.db2.gz ONIUKUXLBZHRME-MNAPGUCWSA-N 2 2 353.510 4.024 20 0 FIADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000439002936 1101072503 /nfs/dbraw/zinc/07/25/03/1101072503.db2.gz ONIUKUXLBZHRME-MNAPGUCWSA-N 2 2 353.510 4.024 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1nc2ccc(Cl)cc2n1C ZINC000536998553 1101386942 /nfs/dbraw/zinc/38/69/42/1101386942.db2.gz ADAYLUSGVUSPLV-AWEZNQCLSA-N 2 2 365.868 4.263 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000537014185 1101395895 /nfs/dbraw/zinc/39/58/95/1101395895.db2.gz FQVWTRHRCKPLDB-OPAMFIHVSA-N 2 2 353.485 4.487 20 0 FIADLP CC(C)[C@@H](C[NH2+]CC1=Cc2ccccc2OC1)[N@@H+]1CCc2ccccc2C1 ZINC000518766141 1101524526 /nfs/dbraw/zinc/52/45/26/1101524526.db2.gz CGPLUUBOULNLBS-HSZRJFAPSA-N 2 2 362.517 4.135 20 0 FIADLP CC(C)[C@@H](C[NH2+]CC1=Cc2ccccc2OC1)[N@H+]1CCc2ccccc2C1 ZINC000518766141 1101524537 /nfs/dbraw/zinc/52/45/37/1101524537.db2.gz CGPLUUBOULNLBS-HSZRJFAPSA-N 2 2 362.517 4.135 20 0 FIADLP CC(C)[NH+](CCC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)C(C)C ZINC000537189938 1101541121 /nfs/dbraw/zinc/54/11/21/1101541121.db2.gz LOKDJLFPGMCKGT-OAQYLSRUSA-N 3 2 373.585 4.073 20 0 FIADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001168155298 1101590255 /nfs/dbraw/zinc/59/02/55/1101590255.db2.gz QKGHZUVCSCZQBK-SJCJKPOMSA-N 2 2 367.718 4.323 20 0 FIADLP COc1ccc(F)cc1[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000163359764 1101760430 /nfs/dbraw/zinc/76/04/30/1101760430.db2.gz ZHANNZMENQDGMS-MRXNPFEDSA-N 2 2 371.500 4.220 20 0 FIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CC(C)(C)c4ccccc43)[nH+]c2)C1 ZINC000537455472 1101811198 /nfs/dbraw/zinc/81/11/98/1101811198.db2.gz DHYOSSOHEGRZRJ-FXAWDEMLSA-N 2 2 350.510 4.056 20 0 FIADLP Cc1cc([C@@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)C2CC2)ccc1F ZINC000537455589 1101819680 /nfs/dbraw/zinc/81/96/80/1101819680.db2.gz GHSWLTOOYHQYOO-UGKGYDQZSA-N 2 2 368.500 4.233 20 0 FIADLP Fc1cc(C[NH2+]Cc2cnc(-c3ccco3)s2)ccc1-n1cc[nH+]c1 ZINC000193044027 1101978926 /nfs/dbraw/zinc/97/89/26/1101978926.db2.gz LZNKXRIYZZKWEX-UHFFFAOYSA-N 2 2 354.410 4.018 20 0 FIADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)Cc1ccc(Cl)cc1)[C@@H]2C ZINC001168176677 1101986720 /nfs/dbraw/zinc/98/67/20/1101986720.db2.gz HYERJXUBAPWJOU-IAGOWNOFSA-N 2 2 374.960 4.385 20 0 FIADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)Cc1ccc(Cl)cc1)[C@@H]2C ZINC001168176677 1101986724 /nfs/dbraw/zinc/98/67/24/1101986724.db2.gz HYERJXUBAPWJOU-IAGOWNOFSA-N 2 2 374.960 4.385 20 0 FIADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H](C)Cc1ccc(Cl)cc1)[C@@H]2C ZINC001168176677 1101986729 /nfs/dbraw/zinc/98/67/29/1101986729.db2.gz HYERJXUBAPWJOU-IAGOWNOFSA-N 2 2 374.960 4.385 20 0 FIADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H](C)Cc1ccc(Cl)cc1)[C@@H]2C ZINC001168176677 1101986733 /nfs/dbraw/zinc/98/67/33/1101986733.db2.gz HYERJXUBAPWJOU-IAGOWNOFSA-N 2 2 374.960 4.385 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCc4c3cccc4Cl)[nH+]c2)CC1 ZINC000537486799 1102173258 /nfs/dbraw/zinc/17/32/58/1102173258.db2.gz QFJJIIAMNHMYKS-HXUWFJFHSA-N 2 2 370.928 4.365 20 0 FIADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000415011827 1102250506 /nfs/dbraw/zinc/25/05/06/1102250506.db2.gz IKUNRONFNPMOTJ-RYUDHWBXSA-N 2 2 366.292 4.071 20 0 FIADLP Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000048815432 1102435679 /nfs/dbraw/zinc/43/56/79/1102435679.db2.gz DJIMUEQXEOAPSK-UHFFFAOYSA-N 2 2 371.488 4.089 20 0 FIADLP Clc1cccc(-c2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)on2)c1 ZINC001167971591 1102467067 /nfs/dbraw/zinc/46/70/67/1102467067.db2.gz ZXRCHSGZLDTVNA-YQQQUEKLSA-N 2 2 371.912 4.490 20 0 FIADLP Clc1cccc(-c2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)on2)c1 ZINC001167971591 1102467072 /nfs/dbraw/zinc/46/70/72/1102467072.db2.gz ZXRCHSGZLDTVNA-YQQQUEKLSA-N 2 2 371.912 4.490 20 0 FIADLP c1cn(-c2ccc(C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)cc2)c[nH+]1 ZINC000111233993 1102488891 /nfs/dbraw/zinc/48/88/91/1102488891.db2.gz XJLZROGSMKMCKI-UHFFFAOYSA-N 2 2 357.461 4.128 20 0 FIADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000121896205 1102495246 /nfs/dbraw/zinc/49/52/46/1102495246.db2.gz GZZBXBSNKCERGC-HXUWFJFHSA-N 2 2 353.510 4.389 20 0 FIADLP CCCOc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(OCCC)c1 ZINC000122549750 1102592293 /nfs/dbraw/zinc/59/22/93/1102592293.db2.gz JDKANPQABPEEJJ-UHFFFAOYSA-N 2 2 357.498 4.298 20 0 FIADLP Cc1nc(COc2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2)cs1 ZINC000122560318 1102593580 /nfs/dbraw/zinc/59/35/80/1102593580.db2.gz AMEVUCVGKHOXNG-UHFFFAOYSA-N 2 2 368.506 4.064 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)o2)CC[N@@H+]1Cc1ccccc1 ZINC000188739817 1102792344 /nfs/dbraw/zinc/79/23/44/1102792344.db2.gz KGCJMLIZKBWRFN-ZBFHGGJFSA-N 2 2 363.299 4.185 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)o2)CC[N@H+]1Cc1ccccc1 ZINC000188739817 1102792351 /nfs/dbraw/zinc/79/23/51/1102792351.db2.gz KGCJMLIZKBWRFN-ZBFHGGJFSA-N 2 2 363.299 4.185 20 0 FIADLP C[C@H](CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000551034752 1102824429 /nfs/dbraw/zinc/82/44/29/1102824429.db2.gz ONDWSQHSIROEJV-QDSKXPNFSA-N 3 2 365.565 4.322 20 0 FIADLP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000551034752 1102824447 /nfs/dbraw/zinc/82/44/47/1102824447.db2.gz ONDWSQHSIROEJV-QDSKXPNFSA-N 3 2 365.565 4.322 20 0 FIADLP C[C@H](CC[NH2+][C@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000551034752 1102824460 /nfs/dbraw/zinc/82/44/60/1102824460.db2.gz ONDWSQHSIROEJV-QDSKXPNFSA-N 3 2 365.565 4.322 20 0 FIADLP C[C@H](CC[NH2+][C@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000551034752 1102824475 /nfs/dbraw/zinc/82/44/75/1102824475.db2.gz ONDWSQHSIROEJV-QDSKXPNFSA-N 3 2 365.565 4.322 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cn(-c3ccc(Cl)cc3)nc1C)CCC2 ZINC000608067515 1102858407 /nfs/dbraw/zinc/85/84/07/1102858407.db2.gz JMDTYBVRRRFIOP-INIZCTEOSA-N 2 2 369.900 4.006 20 0 FIADLP CCOc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC000459372441 1102943821 /nfs/dbraw/zinc/94/38/21/1102943821.db2.gz KZILUMSKLFNIRZ-QHCPKHFHSA-N 2 2 350.506 4.391 20 0 FIADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCC[NH+]2C2CC2)CC1 ZINC000551278106 1103038530 /nfs/dbraw/zinc/03/85/30/1103038530.db2.gz LQDIUFMTIJIFOF-BBHUYCHWSA-N 3 2 355.570 4.036 20 0 FIADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCC[NH+]2C2CC2)CC1 ZINC000551278106 1103038544 /nfs/dbraw/zinc/03/85/44/1103038544.db2.gz LQDIUFMTIJIFOF-BBHUYCHWSA-N 3 2 355.570 4.036 20 0 FIADLP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000551278106 1103038561 /nfs/dbraw/zinc/03/85/61/1103038561.db2.gz LQDIUFMTIJIFOF-BBHUYCHWSA-N 3 2 355.570 4.036 20 0 FIADLP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000551278106 1103038573 /nfs/dbraw/zinc/03/85/73/1103038573.db2.gz LQDIUFMTIJIFOF-BBHUYCHWSA-N 3 2 355.570 4.036 20 0 FIADLP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1Cl ZINC000551532854 1103332924 /nfs/dbraw/zinc/33/29/24/1103332924.db2.gz HFQKZPNKFKFBFV-TXPKVOOTSA-N 2 2 373.928 4.447 20 0 FIADLP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1Cl ZINC000551532854 1103332939 /nfs/dbraw/zinc/33/29/39/1103332939.db2.gz HFQKZPNKFKFBFV-TXPKVOOTSA-N 2 2 373.928 4.447 20 0 FIADLP Cc1csc(C2([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)CCC2)n1 ZINC000507459397 1103404047 /nfs/dbraw/zinc/40/40/47/1103404047.db2.gz FWVLJHLOQZRDKY-HSALFYBXSA-N 2 2 367.562 4.331 20 0 FIADLP Cc1csc(C2([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)CCC2)n1 ZINC000507459397 1103404054 /nfs/dbraw/zinc/40/40/54/1103404054.db2.gz FWVLJHLOQZRDKY-HSALFYBXSA-N 2 2 367.562 4.331 20 0 FIADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1cccc(Cl)c1 ZINC000507467110 1103414231 /nfs/dbraw/zinc/41/42/31/1103414231.db2.gz DVNPFFPQOJJMIV-CYBMUJFWSA-N 2 2 364.839 4.114 20 0 FIADLP Fc1ccc(CC2(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)CC2)cc1 ZINC000507488507 1103435801 /nfs/dbraw/zinc/43/58/01/1103435801.db2.gz UWPITEFAWXGHCD-UHFFFAOYSA-N 2 2 358.423 4.155 20 0 FIADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1ccc(Cl)cc1 ZINC000507511127 1103451760 /nfs/dbraw/zinc/45/17/60/1103451760.db2.gz NUXZTNWVYNZPTJ-CYBMUJFWSA-N 2 2 364.839 4.114 20 0 FIADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000551795295 1103671082 /nfs/dbraw/zinc/67/10/82/1103671082.db2.gz BBJQBBYGHZWYBS-NLSFWIRASA-N 2 2 361.489 4.222 20 0 FIADLP Brc1csc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000519723673 1103802775 /nfs/dbraw/zinc/80/27/75/1103802775.db2.gz ITAQGMDVWUYWQO-UHFFFAOYSA-N 2 2 368.344 4.400 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CCCC1)CCC2 ZINC000537775160 1103942351 /nfs/dbraw/zinc/94/23/51/1103942351.db2.gz XHAULZAOSPBLNS-MRXNPFEDSA-N 2 2 358.917 4.112 20 0 FIADLP Cc1ccc([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CCC2)cc1 ZINC000427561330 1104358155 /nfs/dbraw/zinc/35/81/55/1104358155.db2.gz BMWNNAPZVDWCMS-XMMPIXPASA-N 2 2 364.533 4.458 20 0 FIADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000536303340 1104639326 /nfs/dbraw/zinc/63/93/26/1104639326.db2.gz YQRHZHKGJXJXBB-GUYCJALGSA-N 2 2 369.322 4.286 20 0 FIADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000536303340 1104639328 /nfs/dbraw/zinc/63/93/28/1104639328.db2.gz YQRHZHKGJXJXBB-GUYCJALGSA-N 2 2 369.322 4.286 20 0 FIADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000520459680 1104760687 /nfs/dbraw/zinc/76/06/87/1104760687.db2.gz CGVCGCATMWWJIF-AUSIDOKSSA-N 3 2 366.553 4.064 20 0 FIADLP C[N@H+](Cc1ccc(C2CCC2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000507877599 1105253003 /nfs/dbraw/zinc/25/30/03/1105253003.db2.gz WCQUTZYCLTVHQE-UHFFFAOYSA-N 2 2 363.549 4.488 20 0 FIADLP C[N@@H+](Cc1ccc(C2CCC2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000507877599 1105253006 /nfs/dbraw/zinc/25/30/06/1105253006.db2.gz WCQUTZYCLTVHQE-UHFFFAOYSA-N 2 2 363.549 4.488 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCc3ncc(C(F)(F)F)cc31)CCC2 ZINC000427710517 1105255135 /nfs/dbraw/zinc/25/51/35/1105255135.db2.gz FJVOSMZSIKXXOK-BBRMVZONSA-N 2 2 364.415 4.150 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000427843460 1105293011 /nfs/dbraw/zinc/29/30/11/1105293011.db2.gz TUCPLRYKWXHNNU-WMZHIEFXSA-N 2 2 369.528 4.434 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000427843460 1105293016 /nfs/dbraw/zinc/29/30/16/1105293016.db2.gz TUCPLRYKWXHNNU-WMZHIEFXSA-N 2 2 369.528 4.434 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000427843461 1105293143 /nfs/dbraw/zinc/29/31/43/1105293143.db2.gz TUCPLRYKWXHNNU-XXBNENTESA-N 2 2 369.528 4.434 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000427843461 1105293144 /nfs/dbraw/zinc/29/31/44/1105293144.db2.gz TUCPLRYKWXHNNU-XXBNENTESA-N 2 2 369.528 4.434 20 0 FIADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c(OCCC)c1 ZINC000427852785 1105296058 /nfs/dbraw/zinc/29/60/58/1105296058.db2.gz MYVLPHRQWVCAFR-IRXDYDNUSA-N 2 2 357.498 4.126 20 0 FIADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc2ccccc2c1OC(F)F ZINC000427869517 1105304423 /nfs/dbraw/zinc/30/44/23/1105304423.db2.gz SOTXXTKLPLGRKD-DZGCQCFKSA-N 2 2 357.404 4.303 20 0 FIADLP Fc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2Cl)cc1 ZINC000427882713 1105309493 /nfs/dbraw/zinc/30/94/93/1105309493.db2.gz AMAYWIWNGSAAQK-UZLBHIALSA-N 2 2 355.844 4.370 20 0 FIADLP CC(C)(C)[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CS1 ZINC000475357867 1106757533 /nfs/dbraw/zinc/75/75/33/1106757533.db2.gz ZCFKVZQLFAFTLH-BHDPWAOGSA-N 2 2 364.521 4.302 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167978811 1106902673 /nfs/dbraw/zinc/90/26/73/1106902673.db2.gz XQTYMLUGLSPARW-KXBFYZLASA-N 2 2 364.497 4.081 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167978597 1106902801 /nfs/dbraw/zinc/90/28/01/1106902801.db2.gz XQTYMLUGLSPARW-HNAYVOBHSA-N 2 2 364.497 4.081 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3ccccc3F)CC2)cc1 ZINC000451225613 1106981004 /nfs/dbraw/zinc/98/10/04/1106981004.db2.gz FDOFMZFZJXLCIL-INIZCTEOSA-N 2 2 369.484 4.099 20 0 FIADLP Cn1c[nH+]cc1CC[NH2+][C@@H](c1cc(F)ccc1F)c1ccccc1Cl ZINC000530460295 1107054982 /nfs/dbraw/zinc/05/49/82/1107054982.db2.gz INRPFLSXYHFALK-LJQANCHMSA-N 2 2 361.823 4.273 20 0 FIADLP COc1cc(C)c([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1C ZINC000544384295 1107201355 /nfs/dbraw/zinc/20/13/55/1107201355.db2.gz LFINPDMLJNUJJQ-MJGOQNOKSA-N 2 2 368.525 4.020 20 0 FIADLP CCCOc1ccccc1[C@H](CC(C)C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655719428 1107712335 /nfs/dbraw/zinc/71/23/35/1107712335.db2.gz UAZSFDGCGAHMNV-IRLDBZIGSA-N 2 2 374.569 4.406 20 0 FIADLP Clc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1Br ZINC000475574686 1107767524 /nfs/dbraw/zinc/76/75/24/1107767524.db2.gz XBOHUAGMPDCCNE-UHFFFAOYSA-N 2 2 357.723 4.209 20 0 FIADLP C[C@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2sccc21 ZINC000453067968 1108120056 /nfs/dbraw/zinc/12/00/56/1108120056.db2.gz SKIBRXBXDUITNJ-OXJNMPFZSA-N 2 2 356.535 4.309 20 0 FIADLP CCn1ccnc1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000453061135 1108139221 /nfs/dbraw/zinc/13/92/21/1108139221.db2.gz KZNIPLIJLOBAIF-QRVBRYPASA-N 2 2 354.542 4.232 20 0 FIADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453178831 1108222419 /nfs/dbraw/zinc/22/24/19/1108222419.db2.gz TWKVYAPCONHUGX-MOPGFXCFSA-N 2 2 354.542 4.106 20 0 FIADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453178831 1108222430 /nfs/dbraw/zinc/22/24/30/1108222430.db2.gz TWKVYAPCONHUGX-MOPGFXCFSA-N 2 2 354.542 4.106 20 0 FIADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453178833 1108222547 /nfs/dbraw/zinc/22/25/47/1108222547.db2.gz TWKVYAPCONHUGX-RBUKOAKNSA-N 2 2 354.542 4.106 20 0 FIADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453178833 1108222562 /nfs/dbraw/zinc/22/25/62/1108222562.db2.gz TWKVYAPCONHUGX-RBUKOAKNSA-N 2 2 354.542 4.106 20 0 FIADLP CCC[C@H](C)[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453332784 1108424202 /nfs/dbraw/zinc/42/42/02/1108424202.db2.gz VPOUQTGDTXHJJD-HTAPYJJXSA-N 2 2 359.558 4.414 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3C(C)C)CC2)cc1 ZINC000453333298 1108424246 /nfs/dbraw/zinc/42/42/46/1108424246.db2.gz VSHFXECJEOQHMP-DHIUTWEWSA-N 2 2 371.569 4.414 20 0 FIADLP OCC1([C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c2ccccc2)CCCC1 ZINC000453615234 1108661369 /nfs/dbraw/zinc/66/13/69/1108661369.db2.gz MLMDGJAFJCLNJF-HXUWFJFHSA-N 2 2 367.518 4.317 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1)CCC2 ZINC000532243105 1108734031 /nfs/dbraw/zinc/73/40/31/1108734031.db2.gz HNRCBENPJHKOOW-GOEBONIOSA-N 2 2 374.916 4.038 20 0 FIADLP C[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C[C@H]1CCC[NH+](C)C1 ZINC000508563188 1109197778 /nfs/dbraw/zinc/19/77/78/1109197778.db2.gz YUXOHLBLADTNBP-SFHVURJKSA-N 2 2 373.928 4.088 20 0 FIADLP C[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C[C@H]1CCC[NH+](C)C1 ZINC000508563188 1109197781 /nfs/dbraw/zinc/19/77/81/1109197781.db2.gz YUXOHLBLADTNBP-SFHVURJKSA-N 2 2 373.928 4.088 20 0 FIADLP C[NH+](Cc1cc(Cl)ccc1OCc1cccnc1)C[C@H]1CCC[N@H+](C)C1 ZINC000508563188 1109197783 /nfs/dbraw/zinc/19/77/83/1109197783.db2.gz YUXOHLBLADTNBP-SFHVURJKSA-N 2 2 373.928 4.088 20 0 FIADLP C[NH+](Cc1cc(Cl)ccc1OCc1cccnc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000508563188 1109197787 /nfs/dbraw/zinc/19/77/87/1109197787.db2.gz YUXOHLBLADTNBP-SFHVURJKSA-N 2 2 373.928 4.088 20 0 FIADLP C[NH+](C)CC1CC[NH+](Cc2c(F)ccc(Br)c2Cl)CC1 ZINC001142088289 1109224446 /nfs/dbraw/zinc/22/44/46/1109224446.db2.gz BNWJWWZJPIVLEL-UHFFFAOYSA-N 2 2 363.702 4.015 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(-c3c(F)cccc3F)o1)CCC2 ZINC000525695779 1109481666 /nfs/dbraw/zinc/48/16/66/1109481666.db2.gz VDLCQIBPHLQNAP-CQSZACIVSA-N 2 2 357.404 4.397 20 0 FIADLP C[NH+](C)[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccsc1 ZINC000447546301 1109575379 /nfs/dbraw/zinc/57/53/79/1109575379.db2.gz USWDOJDHIOLLCA-CIAFKFPVSA-N 2 2 369.578 4.136 20 0 FIADLP C[NH+](C)[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccsc1 ZINC000447546301 1109575385 /nfs/dbraw/zinc/57/53/85/1109575385.db2.gz USWDOJDHIOLLCA-CIAFKFPVSA-N 2 2 369.578 4.136 20 0 FIADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CO2 ZINC000447596568 1109591069 /nfs/dbraw/zinc/59/10/69/1109591069.db2.gz CSEOOJHMAMUUJE-WERVVEIQSA-N 2 2 352.453 4.044 20 0 FIADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CO2 ZINC000447596568 1109591072 /nfs/dbraw/zinc/59/10/72/1109591072.db2.gz CSEOOJHMAMUUJE-WERVVEIQSA-N 2 2 352.453 4.044 20 0 FIADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC[C@H]3c3ccccc3)C2)cc1 ZINC000429720756 1109605677 /nfs/dbraw/zinc/60/56/77/1109605677.db2.gz QANOJQMJVCZXMS-PKTZIBPZSA-N 2 2 350.506 4.115 20 0 FIADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC[C@H]3c3ccccc3)C2)cc1 ZINC000429720756 1109605681 /nfs/dbraw/zinc/60/56/81/1109605681.db2.gz QANOJQMJVCZXMS-PKTZIBPZSA-N 2 2 350.506 4.115 20 0 FIADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CCC[C@H]3c3ccccc3)C2)cc1 ZINC000429720756 1109605682 /nfs/dbraw/zinc/60/56/82/1109605682.db2.gz QANOJQMJVCZXMS-PKTZIBPZSA-N 2 2 350.506 4.115 20 0 FIADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CCC[C@H]3c3ccccc3)C2)cc1 ZINC000429720756 1109605685 /nfs/dbraw/zinc/60/56/85/1109605685.db2.gz QANOJQMJVCZXMS-PKTZIBPZSA-N 2 2 350.506 4.115 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000429726531 1109607213 /nfs/dbraw/zinc/60/72/13/1109607213.db2.gz VIJQEPROEUNQLS-UHFFFAOYSA-N 2 2 350.384 4.452 20 0 FIADLP Cc1cc(N2CCC(Oc3cc[nH+]cc3C)CC2)c2cc(F)ccc2[nH+]1 ZINC000447685756 1109626881 /nfs/dbraw/zinc/62/68/81/1109626881.db2.gz NJEHWROYJBYEHW-UHFFFAOYSA-N 2 2 351.425 4.434 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000447816479 1109646626 /nfs/dbraw/zinc/64/66/26/1109646626.db2.gz LDYRAIFCZPVOFZ-HROJSSOGSA-N 2 2 374.532 4.323 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000447816479 1109646628 /nfs/dbraw/zinc/64/66/28/1109646628.db2.gz LDYRAIFCZPVOFZ-HROJSSOGSA-N 2 2 374.532 4.323 20 0 FIADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@@H](C)c3ccccc3)CCCC2)no1 ZINC000447819876 1109647396 /nfs/dbraw/zinc/64/73/96/1109647396.db2.gz CPQIEVAVSVCBTE-QGZVFWFLSA-N 2 2 356.514 4.074 20 0 FIADLP CC[NH+](CC)Cc1nc(C2([NH2+]CC[C@H](C)c3ccccc3)CCCC2)no1 ZINC000447821687 1109647879 /nfs/dbraw/zinc/64/78/79/1109647879.db2.gz MXMLRMPVUQHLQL-SFHVURJKSA-N 2 2 370.541 4.464 20 0 FIADLP c1[nH]c(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)nc1-c1ccccc1 ZINC000447854492 1109660205 /nfs/dbraw/zinc/66/02/05/1109660205.db2.gz LUAFGDULUUYSAZ-UHFFFAOYSA-N 2 2 360.505 4.352 20 0 FIADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)c(Cl)c1 ZINC000448021944 1109695415 /nfs/dbraw/zinc/69/54/15/1109695415.db2.gz LQKFDJYYTVLQEV-QAPCUYQASA-N 2 2 365.949 4.076 20 0 FIADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)c(Cl)c1 ZINC000448021944 1109695420 /nfs/dbraw/zinc/69/54/20/1109695420.db2.gz LQKFDJYYTVLQEV-QAPCUYQASA-N 2 2 365.949 4.076 20 0 FIADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)c(Cl)c1 ZINC000448021942 1109695721 /nfs/dbraw/zinc/69/57/21/1109695721.db2.gz LQKFDJYYTVLQEV-CRAIPNDOSA-N 2 2 365.949 4.076 20 0 FIADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)c(Cl)c1 ZINC000448021942 1109695722 /nfs/dbraw/zinc/69/57/22/1109695722.db2.gz LQKFDJYYTVLQEV-CRAIPNDOSA-N 2 2 365.949 4.076 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527681966 1109809829 /nfs/dbraw/zinc/80/98/29/1109809829.db2.gz LJPALCZRLLXPKO-ZDUSSCGKSA-N 2 2 369.456 4.477 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000527925338 1109856781 /nfs/dbraw/zinc/85/67/81/1109856781.db2.gz AHRHVBXPPJBLTN-CYFREDJKSA-N 2 2 363.549 4.077 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000527925338 1109856784 /nfs/dbraw/zinc/85/67/84/1109856784.db2.gz AHRHVBXPPJBLTN-CYFREDJKSA-N 2 2 363.549 4.077 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000527948468 1109866859 /nfs/dbraw/zinc/86/68/59/1109866859.db2.gz LOSPRMZETFXKHA-IERDGZPVSA-N 2 2 370.541 4.028 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000527948468 1109866864 /nfs/dbraw/zinc/86/68/64/1109866864.db2.gz LOSPRMZETFXKHA-IERDGZPVSA-N 2 2 370.541 4.028 20 0 FIADLP Fc1ccccc1-c1ncc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000449026479 1109959050 /nfs/dbraw/zinc/95/90/50/1109959050.db2.gz FTNGMQASQFTRAH-INIZCTEOSA-N 2 2 359.514 4.257 20 0 FIADLP Fc1ccccc1-c1ncc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000449026479 1109959051 /nfs/dbraw/zinc/95/90/51/1109959051.db2.gz FTNGMQASQFTRAH-INIZCTEOSA-N 2 2 359.514 4.257 20 0 FIADLP CC[N@@H+](Cc1ccnn1C1CCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000449025352 1109964500 /nfs/dbraw/zinc/96/45/00/1109964500.db2.gz BPIBBTOQSGBAHP-UHFFFAOYSA-N 2 2 367.541 4.132 20 0 FIADLP CC[N@H+](Cc1ccnn1C1CCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000449025352 1109964501 /nfs/dbraw/zinc/96/45/01/1109964501.db2.gz BPIBBTOQSGBAHP-UHFFFAOYSA-N 2 2 367.541 4.132 20 0 FIADLP Fc1cccc(F)c1-c1ncc(C[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC000449123910 1109980674 /nfs/dbraw/zinc/98/06/74/1109980674.db2.gz ODPYGALSBHNDEO-UHFFFAOYSA-N 2 2 374.460 4.465 20 0 FIADLP C[C@H]([NH2+]C1(C[NH2+]Cc2cccc3ccoc32)CCOCC1)c1ccccc1 ZINC000449159063 1109989368 /nfs/dbraw/zinc/98/93/68/1109989368.db2.gz XECNEOWCBQVAOB-SFHVURJKSA-N 2 2 364.489 4.422 20 0 FIADLP Cc1ccc(N2CCC([NH2+][C@H]3CCc4cc(F)c(F)c(F)c43)CC2)[nH+]c1 ZINC000449164435 1109990397 /nfs/dbraw/zinc/99/03/97/1109990397.db2.gz PSQVISLKTHXAOX-INIZCTEOSA-N 2 2 361.411 4.053 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccc3ccoc32)[C@@H]1c1cnn(C)c1 ZINC000449265686 1110018943 /nfs/dbraw/zinc/01/89/43/1110018943.db2.gz SMUXOUUUVCQAON-GHTZIAJQSA-N 2 2 366.509 4.071 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cccc3ccoc32)[C@@H]1c1cnn(C)c1 ZINC000449265686 1110018947 /nfs/dbraw/zinc/01/89/47/1110018947.db2.gz SMUXOUUUVCQAON-GHTZIAJQSA-N 2 2 366.509 4.071 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cccc3ccoc32)[C@@H]1c1cnn(C)c1 ZINC000449265686 1110018954 /nfs/dbraw/zinc/01/89/54/1110018954.db2.gz SMUXOUUUVCQAON-GHTZIAJQSA-N 2 2 366.509 4.071 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cccc3ccoc32)[C@@H]1c1cnn(C)c1 ZINC000449265686 1110018960 /nfs/dbraw/zinc/01/89/60/1110018960.db2.gz SMUXOUUUVCQAON-GHTZIAJQSA-N 2 2 366.509 4.071 20 0 FIADLP CCCc1nc(C)c(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)o1 ZINC000449342012 1110034549 /nfs/dbraw/zinc/03/45/49/1110034549.db2.gz YJFWORPCUBCLLI-KRWDZBQOSA-N 2 2 355.526 4.121 20 0 FIADLP CC(C)n1ccc(C[C@@H](C)[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)n1 ZINC000449348954 1110037771 /nfs/dbraw/zinc/03/77/71/1110037771.db2.gz DJFAZVYWIVJNJR-OAHLLOKOSA-N 2 2 357.889 4.024 20 0 FIADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)n3)CC2)C1 ZINC000449400693 1110057602 /nfs/dbraw/zinc/05/76/02/1110057602.db2.gz JVSOPCSIRFPSBU-YOEHRIQHSA-N 2 2 355.448 4.233 20 0 FIADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)n2)CC1 ZINC000449402834 1110058671 /nfs/dbraw/zinc/05/86/71/1110058671.db2.gz SXAVVSBVBIEDSO-PBHICJAKSA-N 2 2 355.448 4.233 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000449403829 1110059097 /nfs/dbraw/zinc/05/90/97/1110059097.db2.gz YAIHBBRBBMGHDO-NVXWUHKLSA-N 2 2 363.427 4.243 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)n2)CC[N@H+]1Cc1ccccc1 ZINC000449403829 1110059100 /nfs/dbraw/zinc/05/91/00/1110059100.db2.gz YAIHBBRBBMGHDO-NVXWUHKLSA-N 2 2 363.427 4.243 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H]3C(C)C)CC2)cc1 ZINC000449526614 1110099418 /nfs/dbraw/zinc/09/94/18/1110099418.db2.gz WTTDBYOGPOQOJE-VXKWHMMOSA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000449525736 1110099528 /nfs/dbraw/zinc/09/95/28/1110099528.db2.gz UHQVYQNIMIYYCE-PMAPCBKXSA-N 2 2 371.569 4.414 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H](C)CC[C@H]3C)CC2)cc1 ZINC000449527135 1110100024 /nfs/dbraw/zinc/10/00/24/1110100024.db2.gz ZSOPYHAMUJHZEL-GSHUGGBRSA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000449527136 1110100118 /nfs/dbraw/zinc/10/01/18/1110100118.db2.gz ZSOPYHAMUJHZEL-HYFFOGBASA-N 2 2 357.542 4.024 20 0 FIADLP COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3cc(-n4cc[nH+]c4)cs3)C2)c1 ZINC000449755039 1110163297 /nfs/dbraw/zinc/16/32/97/1110163297.db2.gz LWUMGQFYKKWXBY-QAQDUYKDSA-N 2 2 353.491 4.320 20 0 FIADLP COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3cc(-n4cc[nH+]c4)cs3)C2)c1 ZINC000449755039 1110163299 /nfs/dbraw/zinc/16/32/99/1110163299.db2.gz LWUMGQFYKKWXBY-QAQDUYKDSA-N 2 2 353.491 4.320 20 0 FIADLP CCCC[C@@H](CC)COCCCNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168117006 1110272034 /nfs/dbraw/zinc/27/20/34/1110272034.db2.gz NHYJRPFJAAYJIH-TZIWHRDSSA-N 2 2 361.574 4.255 20 0 FIADLP CCCC[C@@H](CC)COCCCNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168117006 1110272038 /nfs/dbraw/zinc/27/20/38/1110272038.db2.gz NHYJRPFJAAYJIH-TZIWHRDSSA-N 2 2 361.574 4.255 20 0 FIADLP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450488063 1110305098 /nfs/dbraw/zinc/30/50/98/1110305098.db2.gz OHAWHISHKUPDCY-GFCCVEGCSA-N 2 2 366.278 4.057 20 0 FIADLP C[NH+](CC1CC(F)(F)C1)[C@H]1CCCC[C@@H]1[N@H+](C)CC1CC(F)(F)C1 ZINC000450684191 1110330099 /nfs/dbraw/zinc/33/00/99/1110330099.db2.gz IURAZBQDMGFJIO-HOTGVXAUSA-N 2 2 350.444 4.252 20 0 FIADLP C[NH+](CC1CC(F)(F)C1)[C@H]1CCCC[C@@H]1[N@@H+](C)CC1CC(F)(F)C1 ZINC000450684191 1110330102 /nfs/dbraw/zinc/33/01/02/1110330102.db2.gz IURAZBQDMGFJIO-HOTGVXAUSA-N 2 2 350.444 4.252 20 0 FIADLP c1csc([C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000390527089 1110338093 /nfs/dbraw/zinc/33/80/93/1110338093.db2.gz CTHFBNXLINGKQB-TZIWHRDSSA-N 2 2 356.535 4.080 20 0 FIADLP c1csc([C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000390527089 1110338095 /nfs/dbraw/zinc/33/80/95/1110338095.db2.gz CTHFBNXLINGKQB-TZIWHRDSSA-N 2 2 356.535 4.080 20 0 FIADLP c1csc([C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000390527086 1110338377 /nfs/dbraw/zinc/33/83/77/1110338377.db2.gz CTHFBNXLINGKQB-CTNGQTDRSA-N 2 2 356.535 4.080 20 0 FIADLP c1csc([C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000390527086 1110338378 /nfs/dbraw/zinc/33/83/78/1110338378.db2.gz CTHFBNXLINGKQB-CTNGQTDRSA-N 2 2 356.535 4.080 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC/C=C/c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000450793575 1110342315 /nfs/dbraw/zinc/34/23/15/1110342315.db2.gz QGVUIPHEQXIIOU-JQTZQCRZSA-N 2 2 366.553 4.228 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC/C=C/c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000450793575 1110342318 /nfs/dbraw/zinc/34/23/18/1110342318.db2.gz QGVUIPHEQXIIOU-JQTZQCRZSA-N 2 2 366.553 4.228 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC/C=C/c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000450793575 1110342320 /nfs/dbraw/zinc/34/23/20/1110342320.db2.gz QGVUIPHEQXIIOU-JQTZQCRZSA-N 2 2 366.553 4.228 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC/C=C/c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000450793575 1110342322 /nfs/dbraw/zinc/34/23/22/1110342322.db2.gz QGVUIPHEQXIIOU-JQTZQCRZSA-N 2 2 366.553 4.228 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000538559715 1111194139 /nfs/dbraw/zinc/19/41/39/1111194139.db2.gz KMMUWAAHTUKWLX-NQIIRXRSSA-N 2 2 350.510 4.004 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000538559715 1111194142 /nfs/dbraw/zinc/19/41/42/1111194142.db2.gz KMMUWAAHTUKWLX-NQIIRXRSSA-N 2 2 350.510 4.004 20 0 FIADLP Cc1cccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1C ZINC000538590128 1111211641 /nfs/dbraw/zinc/21/16/41/1111211641.db2.gz HEHKGFQJLDFTTQ-GOSISDBHSA-N 2 2 352.526 4.402 20 0 FIADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OCC(C)C ZINC000538751034 1111281401 /nfs/dbraw/zinc/28/14/01/1111281401.db2.gz MBCGWEDDNPLAGU-FQEVSTJZSA-N 2 2 360.542 4.038 20 0 FIADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OCC(C)C ZINC000538751034 1111281403 /nfs/dbraw/zinc/28/14/03/1111281403.db2.gz MBCGWEDDNPLAGU-FQEVSTJZSA-N 2 2 360.542 4.038 20 0 FIADLP Brc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000538869880 1111329010 /nfs/dbraw/zinc/32/90/10/1111329010.db2.gz VBSSKUKKEJCXMV-SFHVURJKSA-N 2 2 374.326 4.192 20 0 FIADLP Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000539049635 1111399301 /nfs/dbraw/zinc/39/93/01/1111399301.db2.gz MQCKCYYGUOIECY-VXKWHMMOSA-N 2 2 365.521 4.339 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccc(OC)c1 ZINC000539051642 1111400197 /nfs/dbraw/zinc/40/01/97/1111400197.db2.gz AELFTVWOLOKFLO-JTSKRJEESA-N 2 2 353.510 4.357 20 0 FIADLP C[N@@H+]1CC[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@@H]2CCC[C@@H]21 ZINC000552067179 1111565724 /nfs/dbraw/zinc/56/57/24/1111565724.db2.gz BGVYEKVBSBEJAD-ACRUOGEOSA-N 2 2 350.510 4.171 20 0 FIADLP C[N@H+]1CC[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@@H]2CCC[C@@H]21 ZINC000552067179 1111565726 /nfs/dbraw/zinc/56/57/26/1111565726.db2.gz BGVYEKVBSBEJAD-ACRUOGEOSA-N 2 2 350.510 4.171 20 0 FIADLP COc1cccc(C2([NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)CC2)c1 ZINC000552086248 1111569180 /nfs/dbraw/zinc/56/91/80/1111569180.db2.gz AFTYQSJHXAKOOT-UHFFFAOYSA-N 2 2 368.496 4.120 20 0 FIADLP C[C@H](O)[C@@](C)(C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000477854685 1111586966 /nfs/dbraw/zinc/58/69/66/1111586966.db2.gz GWCCITCYHILGMI-SFYKDHMMSA-N 2 2 363.505 4.153 20 0 FIADLP Cc1cc([C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)c2cccnc2)ccc1F ZINC000477917956 1111609288 /nfs/dbraw/zinc/60/92/88/1111609288.db2.gz OMTDBCUAZCXWLV-NRFANRHFSA-N 2 2 355.501 4.330 20 0 FIADLP COc1cc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1OC(F)F ZINC000553508667 1111991627 /nfs/dbraw/zinc/99/16/27/1111991627.db2.gz DZWLMVCFFBNOSX-CQSZACIVSA-N 2 2 373.403 4.333 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(Br)cc1Cl)CCC2 ZINC000553509172 1111991637 /nfs/dbraw/zinc/99/16/37/1111991637.db2.gz OSSVRVGMYMTWJS-ZDUSSCGKSA-N 2 2 368.706 4.275 20 0 FIADLP CC(C)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(F)ccc1F ZINC000479332850 1111993350 /nfs/dbraw/zinc/99/33/50/1111993350.db2.gz VANOQUIWFZAERL-JOCHJYFZSA-N 2 2 374.475 4.284 20 0 FIADLP C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000479458266 1112031088 /nfs/dbraw/zinc/03/10/88/1112031088.db2.gz SIBYDUVKRYORNS-SKDZVZGDSA-N 2 2 374.326 4.264 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000479475993 1112037568 /nfs/dbraw/zinc/03/75/68/1112037568.db2.gz AWSHRXAYJDITPN-NPFVIJTESA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000479475993 1112037570 /nfs/dbraw/zinc/03/75/70/1112037570.db2.gz AWSHRXAYJDITPN-NPFVIJTESA-N 2 2 353.485 4.098 20 0 FIADLP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC([NH+]3CCC(C(F)(F)F)CC3)C1)CC2 ZINC000479479069 1112038478 /nfs/dbraw/zinc/03/84/78/1112038478.db2.gz HYPWJRVISLKGSY-TVPLGVNVSA-N 2 2 352.444 4.377 20 0 FIADLP Cc1cccc2c1CC[C@@H]2[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479479607 1112038695 /nfs/dbraw/zinc/03/86/95/1112038695.db2.gz ZONCLIIJEGFAFS-RJYAGPCLSA-N 2 2 352.444 4.377 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000479529916 1112054175 /nfs/dbraw/zinc/05/41/75/1112054175.db2.gz RSAHSJMNBPWPQB-YZBYQZESSA-N 2 2 367.512 4.357 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000479529916 1112054180 /nfs/dbraw/zinc/05/41/80/1112054180.db2.gz RSAHSJMNBPWPQB-YZBYQZESSA-N 2 2 367.512 4.357 20 0 FIADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1nccn1Cc1ccccc1 ZINC000479586366 1112080925 /nfs/dbraw/zinc/08/09/25/1112080925.db2.gz BGZIJWGFVNHOHA-UHFFFAOYSA-N 2 2 354.542 4.066 20 0 FIADLP C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000554076735 1112193283 /nfs/dbraw/zinc/19/32/83/1112193283.db2.gz ISAYFUHWGLHIIC-MGPUTAFESA-N 2 2 355.869 4.300 20 0 FIADLP C[N@H+](Cc1cc2ccncc2s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000667599683 1112242455 /nfs/dbraw/zinc/24/24/55/1112242455.db2.gz ZIMRWVMWZPDOTG-UHFFFAOYSA-N 2 2 351.519 4.393 20 0 FIADLP C[N@@H+](Cc1cc2ccncc2s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000667599683 1112242459 /nfs/dbraw/zinc/24/24/59/1112242459.db2.gz ZIMRWVMWZPDOTG-UHFFFAOYSA-N 2 2 351.519 4.393 20 0 FIADLP C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480085843 1112271858 /nfs/dbraw/zinc/27/18/58/1112271858.db2.gz CXONFEDIYMVENO-NQIIRXRSSA-N 2 2 364.493 4.343 20 0 FIADLP C[C@@H](CCCC(F)(F)F)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000480304401 1112378451 /nfs/dbraw/zinc/37/84/51/1112378451.db2.gz ATAFOIBDERONGD-AWEZNQCLSA-N 2 2 358.452 4.145 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000667667202 1112408207 /nfs/dbraw/zinc/40/82/07/1112408207.db2.gz HOQHDMMMTODGAU-WFASDCNBSA-N 2 2 351.288 4.110 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc3cc(Br)ccc3o2)CC[N@H+]1C ZINC000667667202 1112408210 /nfs/dbraw/zinc/40/82/10/1112408210.db2.gz HOQHDMMMTODGAU-WFASDCNBSA-N 2 2 351.288 4.110 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3cc(Br)ccc3o2)CC[NH+]1C ZINC000667667202 1112408213 /nfs/dbraw/zinc/40/82/13/1112408213.db2.gz HOQHDMMMTODGAU-WFASDCNBSA-N 2 2 351.288 4.110 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3cc(Br)ccc3o2)CC[NH+]1C ZINC000667667202 1112408216 /nfs/dbraw/zinc/40/82/16/1112408216.db2.gz HOQHDMMMTODGAU-WFASDCNBSA-N 2 2 351.288 4.110 20 0 FIADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)Cn2cc[nH+]c2)CCC3)cc1 ZINC000480770366 1112597535 /nfs/dbraw/zinc/59/75/35/1112597535.db2.gz RGFNHZIEEGXXQZ-RHSMWYFYSA-N 2 2 368.506 4.071 20 0 FIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cc2)c[nH+]1 ZINC000667843544 1112813368 /nfs/dbraw/zinc/81/33/68/1112813368.db2.gz GZCDZVPJASTFJX-ISKFKSNPSA-N 2 2 373.500 4.256 20 0 FIADLP CCC[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000481404952 1112931042 /nfs/dbraw/zinc/93/10/42/1112931042.db2.gz NFQDFBFZCGFSAV-HSZRJFAPSA-N 2 2 368.521 4.029 20 0 FIADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000481417067 1112935896 /nfs/dbraw/zinc/93/58/96/1112935896.db2.gz ZWFWNKARGVUADU-YWZLYKJASA-N 2 2 355.869 4.392 20 0 FIADLP CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000481417064 1112936014 /nfs/dbraw/zinc/93/60/14/1112936014.db2.gz ZWFWNKARGVUADU-MGPUTAFESA-N 2 2 355.869 4.392 20 0 FIADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000481977157 1113144111 /nfs/dbraw/zinc/14/41/11/1113144111.db2.gz XCRXFDXYMUKAAE-CQSZACIVSA-N 2 2 354.922 4.272 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000482075799 1113172151 /nfs/dbraw/zinc/17/21/51/1113172151.db2.gz KPFZKSMSWVPPIC-XQQXVUDOSA-N 2 2 367.512 4.357 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000482075799 1113172154 /nfs/dbraw/zinc/17/21/54/1113172154.db2.gz KPFZKSMSWVPPIC-XQQXVUDOSA-N 2 2 367.512 4.357 20 0 FIADLP Brc1ccc2c(c1)CC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000482258107 1113208498 /nfs/dbraw/zinc/20/84/98/1113208498.db2.gz FHUIGTBATLQPMS-KRWDZBQOSA-N 2 2 360.299 4.313 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000482643950 1113318609 /nfs/dbraw/zinc/31/86/09/1113318609.db2.gz SXJZXLPYVGDAPG-HSZRJFAPSA-N 2 2 366.549 4.449 20 0 FIADLP COc1ccc2oc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)cc2c1 ZINC000482721648 1113343012 /nfs/dbraw/zinc/34/30/12/1113343012.db2.gz GQXBCVMODXHZEW-VGSWGCGISA-N 2 2 364.489 4.442 20 0 FIADLP COc1ccc2oc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cc2c1 ZINC000482721648 1113343017 /nfs/dbraw/zinc/34/30/17/1113343017.db2.gz GQXBCVMODXHZEW-VGSWGCGISA-N 2 2 364.489 4.442 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC[N@@H+]1C ZINC000482791850 1113365781 /nfs/dbraw/zinc/36/57/81/1113365781.db2.gz RUTYAUBGUCXDLV-NVXWUHKLSA-N 2 2 374.960 4.396 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC[N@H+]1C ZINC000482791850 1113365785 /nfs/dbraw/zinc/36/57/85/1113365785.db2.gz RUTYAUBGUCXDLV-NVXWUHKLSA-N 2 2 374.960 4.396 20 0 FIADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000194555228 1113408835 /nfs/dbraw/zinc/40/88/35/1113408835.db2.gz BNODYOKQCNBPEL-JTQLQIEISA-N 2 2 351.294 4.272 20 0 FIADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000483220852 1113467685 /nfs/dbraw/zinc/46/76/85/1113467685.db2.gz PTLCAAGOUVQOHF-GOEBONIOSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000483220852 1113467687 /nfs/dbraw/zinc/46/76/87/1113467687.db2.gz PTLCAAGOUVQOHF-GOEBONIOSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@@H](c1cccc(Br)c1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000483220852 1113467689 /nfs/dbraw/zinc/46/76/89/1113467689.db2.gz PTLCAAGOUVQOHF-GOEBONIOSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@@H](c1cccc(Br)c1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000483220852 1113467692 /nfs/dbraw/zinc/46/76/92/1113467692.db2.gz PTLCAAGOUVQOHF-GOEBONIOSA-N 2 2 351.332 4.174 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c(Cl)s2)[C@@H](C)C1 ZINC000483256773 1113474769 /nfs/dbraw/zinc/47/47/69/1113474769.db2.gz OSWLCMYPNNDBTJ-GXFFZTMASA-N 2 2 365.768 4.326 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c(Cl)s2)[C@@H](C)C1 ZINC000483256773 1113474772 /nfs/dbraw/zinc/47/47/72/1113474772.db2.gz OSWLCMYPNNDBTJ-GXFFZTMASA-N 2 2 365.768 4.326 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)c(Cl)s2)[C@@H](C)C1 ZINC000483256773 1113474775 /nfs/dbraw/zinc/47/47/75/1113474775.db2.gz OSWLCMYPNNDBTJ-GXFFZTMASA-N 2 2 365.768 4.326 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)c(Cl)s2)[C@@H](C)C1 ZINC000483256773 1113474777 /nfs/dbraw/zinc/47/47/77/1113474777.db2.gz OSWLCMYPNNDBTJ-GXFFZTMASA-N 2 2 365.768 4.326 20 0 FIADLP Cc1ccc2c(C)cc(N(C)C[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)[nH+]c2c1 ZINC000486006136 1113488033 /nfs/dbraw/zinc/48/80/33/1113488033.db2.gz OBFCVBFCADPAJE-CVDCTZTESA-N 2 2 360.505 4.376 20 0 FIADLP Cc1ccc2c(C)cc(N(C)C[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)[nH+]c2c1 ZINC000486006136 1113488035 /nfs/dbraw/zinc/48/80/35/1113488035.db2.gz OBFCVBFCADPAJE-CVDCTZTESA-N 2 2 360.505 4.376 20 0 FIADLP COCC[N@H+](C)CC[C@@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000486677769 1113621294 /nfs/dbraw/zinc/62/12/94/1113621294.db2.gz QCLSMKINCHBASD-OAQYLSRUSA-N 2 2 369.484 4.106 20 0 FIADLP COCC[N@@H+](C)CC[C@@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000486677769 1113621296 /nfs/dbraw/zinc/62/12/96/1113621296.db2.gz QCLSMKINCHBASD-OAQYLSRUSA-N 2 2 369.484 4.106 20 0 FIADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(OC)cc2)c2ccccc2Cl)C1 ZINC000490167669 1114228540 /nfs/dbraw/zinc/22/85/40/1114228540.db2.gz LYIZUKPRYSCAPF-IIBYNOLFSA-N 2 2 358.913 4.369 20 0 FIADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(OC)cc2)c2ccccc2Cl)C1 ZINC000490167669 1114228543 /nfs/dbraw/zinc/22/85/43/1114228543.db2.gz LYIZUKPRYSCAPF-IIBYNOLFSA-N 2 2 358.913 4.369 20 0 FIADLP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490958169 1114358312 /nfs/dbraw/zinc/35/83/12/1114358312.db2.gz GZJMUHGTPJXPJX-SPYBWZPUSA-N 2 2 370.368 4.012 20 0 FIADLP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490958169 1114358317 /nfs/dbraw/zinc/35/83/17/1114358317.db2.gz GZJMUHGTPJXPJX-SPYBWZPUSA-N 2 2 370.368 4.012 20 0 FIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988784 1114359956 /nfs/dbraw/zinc/35/99/56/1114359956.db2.gz QKDXIKNXFZPQDW-CLCXKQKWSA-N 2 2 370.368 4.012 20 0 FIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988784 1114359958 /nfs/dbraw/zinc/35/99/58/1114359958.db2.gz QKDXIKNXFZPQDW-CLCXKQKWSA-N 2 2 370.368 4.012 20 0 FIADLP c1oc(-c2ccccc2)nc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000571211353 1114452951 /nfs/dbraw/zinc/45/29/51/1114452951.db2.gz GGQWAKDEWVJBBD-FCHUYYIVSA-N 2 2 373.500 4.296 20 0 FIADLP c1oc(-c2ccccc2)nc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000571211353 1114452952 /nfs/dbraw/zinc/45/29/52/1114452952.db2.gz GGQWAKDEWVJBBD-FCHUYYIVSA-N 2 2 373.500 4.296 20 0 FIADLP c1oc(-c2ccccc2)nc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000571211353 1114452953 /nfs/dbraw/zinc/45/29/53/1114452953.db2.gz GGQWAKDEWVJBBD-FCHUYYIVSA-N 2 2 373.500 4.296 20 0 FIADLP c1oc(-c2ccccc2)nc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000571211353 1114452954 /nfs/dbraw/zinc/45/29/54/1114452954.db2.gz GGQWAKDEWVJBBD-FCHUYYIVSA-N 2 2 373.500 4.296 20 0 FIADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000571284511 1114458467 /nfs/dbraw/zinc/45/84/67/1114458467.db2.gz ZSPODOJLAMTMMX-INIZCTEOSA-N 2 2 374.960 4.390 20 0 FIADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000571284511 1114458470 /nfs/dbraw/zinc/45/84/70/1114458470.db2.gz ZSPODOJLAMTMMX-INIZCTEOSA-N 2 2 374.960 4.390 20 0 FIADLP CC[C@@H](C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)[NH+]1CCCC1 ZINC000588177603 1114548898 /nfs/dbraw/zinc/54/88/98/1114548898.db2.gz IJVSDNWMRMZYNR-INIZCTEOSA-N 2 2 355.309 4.233 20 0 FIADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000573255645 1115086747 /nfs/dbraw/zinc/08/67/47/1115086747.db2.gz CPIHYUQCLYNVLB-AEFFLSMTSA-N 2 2 353.510 4.376 20 0 FIADLP Clc1ccc(-c2ncc(C[NH2+]CCCNc3cccc[nH+]3)s2)cc1 ZINC000574931724 1115528983 /nfs/dbraw/zinc/52/89/83/1115528983.db2.gz HHSZXYIGKLZQLH-UHFFFAOYSA-N 2 2 358.898 4.450 20 0 FIADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168414115 1115769239 /nfs/dbraw/zinc/76/92/39/1115769239.db2.gz CREUDHOSYJDQHL-JOCHJYFZSA-N 2 2 370.487 4.385 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCC[C@H](c2cccnc2)C1)c1ccccc1 ZINC000669700356 1115818826 /nfs/dbraw/zinc/81/88/26/1115818826.db2.gz WWUVATYVBIEGBZ-BVSLBCMMSA-N 2 2 360.505 4.415 20 0 FIADLP C[C@@H](Nc1cc[nH+]c2cc(F)ccc12)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607356437 1116022184 /nfs/dbraw/zinc/02/21/84/1116022184.db2.gz MBKONJAIROZKLV-ZHRRBRCNSA-N 2 2 365.452 4.075 20 0 FIADLP C[C@@H](Nc1cc[nH+]c2cc(F)ccc12)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607356437 1116022187 /nfs/dbraw/zinc/02/21/87/1116022187.db2.gz MBKONJAIROZKLV-ZHRRBRCNSA-N 2 2 365.452 4.075 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(Br)cc1)c1ccccc1 ZINC000608073685 1116080870 /nfs/dbraw/zinc/08/08/70/1116080870.db2.gz PILCRKNPHRSUEE-SFHVURJKSA-N 2 2 370.294 4.256 20 0 FIADLP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000534058882 1116153416 /nfs/dbraw/zinc/15/34/16/1116153416.db2.gz HJUPJXKUOCNZDZ-QGZVFWFLSA-N 2 2 369.322 4.286 20 0 FIADLP C(=C/c1ccncc1)\C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509448719 1116198549 /nfs/dbraw/zinc/19/85/49/1116198549.db2.gz ASLZVEHMDPRJNX-YBSSVLDVSA-N 2 2 369.512 4.353 20 0 FIADLP C(=C/c1ccncc1)\C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509448719 1116198550 /nfs/dbraw/zinc/19/85/50/1116198550.db2.gz ASLZVEHMDPRJNX-YBSSVLDVSA-N 2 2 369.512 4.353 20 0 FIADLP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000509451458 1116198861 /nfs/dbraw/zinc/19/88/61/1116198861.db2.gz UPPWRBZBSTUSHL-NRFANRHFSA-N 2 2 354.542 4.163 20 0 FIADLP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000509451458 1116198863 /nfs/dbraw/zinc/19/88/63/1116198863.db2.gz UPPWRBZBSTUSHL-NRFANRHFSA-N 2 2 354.542 4.163 20 0 FIADLP C[N@@H+]1CC[C@@H](CNc2cc[nH+]cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534974085 1116257190 /nfs/dbraw/zinc/25/71/90/1116257190.db2.gz LMMFGHPLLQZICC-SJCJKPOMSA-N 2 2 354.256 4.054 20 0 FIADLP C[N@H+]1CC[C@@H](CNc2cc[nH+]cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534974085 1116257192 /nfs/dbraw/zinc/25/71/92/1116257192.db2.gz LMMFGHPLLQZICC-SJCJKPOMSA-N 2 2 354.256 4.054 20 0 FIADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000535506178 1116315500 /nfs/dbraw/zinc/31/55/00/1116315500.db2.gz ASUJSSNSIBUTRW-XHBSWPGZSA-N 2 2 355.295 4.038 20 0 FIADLP C[N@@H+](Cc1cccc(OC(C)(C)C)n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508853590 1116340125 /nfs/dbraw/zinc/34/01/25/1116340125.db2.gz BAOXCFFOWSDIKW-FQEVSTJZSA-N 2 2 367.537 4.213 20 0 FIADLP C[N@H+](Cc1cccc(OC(C)(C)C)n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508853590 1116340127 /nfs/dbraw/zinc/34/01/27/1116340127.db2.gz BAOXCFFOWSDIKW-FQEVSTJZSA-N 2 2 367.537 4.213 20 0 FIADLP C[NH+](Cc1cccc(OC(C)(C)C)n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508853590 1116340129 /nfs/dbraw/zinc/34/01/29/1116340129.db2.gz BAOXCFFOWSDIKW-FQEVSTJZSA-N 2 2 367.537 4.213 20 0 FIADLP C[NH+](Cc1cccc(OC(C)(C)C)n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508853590 1116340132 /nfs/dbraw/zinc/34/01/32/1116340132.db2.gz BAOXCFFOWSDIKW-FQEVSTJZSA-N 2 2 367.537 4.213 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000539733094 1116373086 /nfs/dbraw/zinc/37/30/86/1116373086.db2.gz HROFOADJKOKQAN-UWJYYQICSA-N 2 2 364.468 4.334 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000539733094 1116373088 /nfs/dbraw/zinc/37/30/88/1116373088.db2.gz HROFOADJKOKQAN-UWJYYQICSA-N 2 2 364.468 4.334 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C[C@H]1C ZINC000539837951 1116386437 /nfs/dbraw/zinc/38/64/37/1116386437.db2.gz DXOORHRBPVLKFP-FOIQADDNSA-N 2 2 360.933 4.139 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C[C@H]1C ZINC000539837951 1116386439 /nfs/dbraw/zinc/38/64/39/1116386439.db2.gz DXOORHRBPVLKFP-FOIQADDNSA-N 2 2 360.933 4.139 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C[C@H]1C ZINC000539837951 1116386442 /nfs/dbraw/zinc/38/64/42/1116386442.db2.gz DXOORHRBPVLKFP-FOIQADDNSA-N 2 2 360.933 4.139 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C[C@H]1C ZINC000539837951 1116386444 /nfs/dbraw/zinc/38/64/44/1116386444.db2.gz DXOORHRBPVLKFP-FOIQADDNSA-N 2 2 360.933 4.139 20 0 FIADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)sc1Br ZINC000539896093 1117739528 /nfs/dbraw/zinc/73/95/28/1117739528.db2.gz ISUQQHSQSKHGEA-XJKSGUPXSA-N 2 2 369.372 4.268 20 0 FIADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)sc1Br ZINC000539896093 1117739530 /nfs/dbraw/zinc/73/95/30/1117739530.db2.gz ISUQQHSQSKHGEA-XJKSGUPXSA-N 2 2 369.372 4.268 20 0 FIADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)sc1Br ZINC000539896093 1117739533 /nfs/dbraw/zinc/73/95/33/1117739533.db2.gz ISUQQHSQSKHGEA-XJKSGUPXSA-N 2 2 369.372 4.268 20 0 FIADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)sc1Br ZINC000539896093 1117739536 /nfs/dbraw/zinc/73/95/36/1117739536.db2.gz ISUQQHSQSKHGEA-XJKSGUPXSA-N 2 2 369.372 4.268 20 0 FIADLP CCc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000539898372 1117740527 /nfs/dbraw/zinc/74/05/27/1117740527.db2.gz WCSUSBYJVWNWJY-AZUAARDMSA-N 2 2 355.551 4.192 20 0 FIADLP CCc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000539898372 1117740528 /nfs/dbraw/zinc/74/05/28/1117740528.db2.gz WCSUSBYJVWNWJY-AZUAARDMSA-N 2 2 355.551 4.192 20 0 FIADLP CCc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000539898372 1117740529 /nfs/dbraw/zinc/74/05/29/1117740529.db2.gz WCSUSBYJVWNWJY-AZUAARDMSA-N 2 2 355.551 4.192 20 0 FIADLP CCc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000539898372 1117740531 /nfs/dbraw/zinc/74/05/31/1117740531.db2.gz WCSUSBYJVWNWJY-AZUAARDMSA-N 2 2 355.551 4.192 20 0 FIADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000462818090 1117793917 /nfs/dbraw/zinc/79/39/17/1117793917.db2.gz PRQKXKPCLAWEQG-HRAATJIYSA-N 2 2 359.583 4.251 20 0 FIADLP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000462891067 1117830240 /nfs/dbraw/zinc/83/02/40/1117830240.db2.gz DLYVBUJLDLSFJD-CHWSQXEVSA-N 2 2 353.388 4.336 20 0 FIADLP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000462891067 1117830245 /nfs/dbraw/zinc/83/02/45/1117830245.db2.gz DLYVBUJLDLSFJD-CHWSQXEVSA-N 2 2 353.388 4.336 20 0 FIADLP COc1ccc(F)cc1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000462905669 1117840436 /nfs/dbraw/zinc/84/04/36/1117840436.db2.gz JAFAQOIZAOBBRJ-PZJWPPBQSA-N 2 2 351.425 4.049 20 0 FIADLP Clc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463065117 1117949068 /nfs/dbraw/zinc/94/90/68/1117949068.db2.gz OSYHXODEICQZJW-NRFANRHFSA-N 2 2 370.924 4.460 20 0 FIADLP C[N@@H+](Cc1cncc(C(F)(F)F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000463084870 1117965625 /nfs/dbraw/zinc/96/56/25/1117965625.db2.gz CHZYDMPSCHGLMY-QGZVFWFLSA-N 2 2 363.427 4.054 20 0 FIADLP C[N@H+](Cc1cncc(C(F)(F)F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000463084870 1117965630 /nfs/dbraw/zinc/96/56/30/1117965630.db2.gz CHZYDMPSCHGLMY-QGZVFWFLSA-N 2 2 363.427 4.054 20 0 FIADLP C[NH+](Cc1cncc(C(F)(F)F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000463084870 1117965631 /nfs/dbraw/zinc/96/56/31/1117965631.db2.gz CHZYDMPSCHGLMY-QGZVFWFLSA-N 2 2 363.427 4.054 20 0 FIADLP C[NH+](Cc1cncc(C(F)(F)F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000463084870 1117965633 /nfs/dbraw/zinc/96/56/33/1117965633.db2.gz CHZYDMPSCHGLMY-QGZVFWFLSA-N 2 2 363.427 4.054 20 0 FIADLP c1ccc(CC[NH+]2CCC([NH2+]Cc3ccccc3OC3CCC3)CC2)cc1 ZINC000463129381 1117975994 /nfs/dbraw/zinc/97/59/94/1117975994.db2.gz UAMWINSXUBAXDN-UHFFFAOYSA-N 2 2 364.533 4.415 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463130733 1117978229 /nfs/dbraw/zinc/97/82/29/1117978229.db2.gz IHTPYYSHVZIRBT-QPPBQGQZSA-N 3 2 365.565 4.151 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463130733 1117978232 /nfs/dbraw/zinc/97/82/32/1117978232.db2.gz IHTPYYSHVZIRBT-QPPBQGQZSA-N 3 2 365.565 4.151 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463130733 1117978235 /nfs/dbraw/zinc/97/82/35/1117978235.db2.gz IHTPYYSHVZIRBT-QPPBQGQZSA-N 3 2 365.565 4.151 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463130733 1117978239 /nfs/dbraw/zinc/97/82/39/1117978239.db2.gz IHTPYYSHVZIRBT-QPPBQGQZSA-N 3 2 365.565 4.151 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2csc3ccccc23)CC1 ZINC000463118011 1117978411 /nfs/dbraw/zinc/97/84/11/1117978411.db2.gz YFVITLITOFQUBK-UHFFFAOYSA-N 2 2 356.457 4.450 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463132483 1117983467 /nfs/dbraw/zinc/98/34/67/1117983467.db2.gz PFEYZVWFMJUXIX-RDPSFJRHSA-N 3 2 374.532 4.074 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463132483 1117983469 /nfs/dbraw/zinc/98/34/69/1117983469.db2.gz PFEYZVWFMJUXIX-RDPSFJRHSA-N 3 2 374.532 4.074 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463132481 1117983675 /nfs/dbraw/zinc/98/36/75/1117983675.db2.gz PFEYZVWFMJUXIX-GBXCKJPGSA-N 3 2 374.532 4.074 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463132481 1117983679 /nfs/dbraw/zinc/98/36/79/1117983679.db2.gz PFEYZVWFMJUXIX-GBXCKJPGSA-N 3 2 374.532 4.074 20 0 FIADLP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000540406920 1118036479 /nfs/dbraw/zinc/03/64/79/1118036479.db2.gz XJSZQHZBCQUTCZ-BLLLJJGKSA-N 2 2 366.328 4.108 20 0 FIADLP COC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000463245792 1118052095 /nfs/dbraw/zinc/05/20/95/1118052095.db2.gz ULIFNTRVVGICJJ-JOCHJYFZSA-N 2 2 372.940 4.324 20 0 FIADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463271133 1118072970 /nfs/dbraw/zinc/07/29/70/1118072970.db2.gz IQIMKWLGSWCYBD-CZTZKLFOSA-N 2 2 350.506 4.461 20 0 FIADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463271133 1118072974 /nfs/dbraw/zinc/07/29/74/1118072974.db2.gz IQIMKWLGSWCYBD-CZTZKLFOSA-N 2 2 350.506 4.461 20 0 FIADLP CC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc(F)ccc1F ZINC000540758451 1118226030 /nfs/dbraw/zinc/22/60/30/1118226030.db2.gz JIAPCOOMGSSEQX-APWZRJJASA-N 2 2 360.452 4.063 20 0 FIADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cc(F)cc(F)c1 ZINC000540787531 1118247007 /nfs/dbraw/zinc/24/70/07/1118247007.db2.gz GCTVWPHPNASBOX-CQSZACIVSA-N 2 2 360.452 4.063 20 0 FIADLP c1cn(CCCC2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)c[nH+]1 ZINC000541204453 1118422920 /nfs/dbraw/zinc/42/29/20/1118422920.db2.gz LOQQYWLXTNHSPI-UHFFFAOYSA-N 2 2 367.522 4.094 20 0 FIADLP Cc1cc([C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)c2cccnc2)ccc1F ZINC000541548479 1118551887 /nfs/dbraw/zinc/55/18/87/1118551887.db2.gz LHHQQJWARHUCQE-VGOFRKELSA-N 2 2 355.501 4.330 20 0 FIADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000541535619 1118554360 /nfs/dbraw/zinc/55/43/60/1118554360.db2.gz IFSWHFCJJJRJJF-INIZCTEOSA-N 2 2 355.507 4.396 20 0 FIADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000541535619 1118554362 /nfs/dbraw/zinc/55/43/62/1118554362.db2.gz IFSWHFCJJJRJJF-INIZCTEOSA-N 2 2 355.507 4.396 20 0 FIADLP Cc1[nH+]ccn1CC[NH2+]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000541698151 1118610427 /nfs/dbraw/zinc/61/04/27/1118610427.db2.gz MYNLXLVGTQOFMW-UHFFFAOYSA-N 2 2 357.502 4.071 20 0 FIADLP CC[N@H+](CCCOc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464801387 1118698153 /nfs/dbraw/zinc/69/81/53/1118698153.db2.gz GBAGAIGIAGTGEK-UHFFFAOYSA-N 2 2 353.510 4.089 20 0 FIADLP CC[N@@H+](CCCOc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464801387 1118698155 /nfs/dbraw/zinc/69/81/55/1118698155.db2.gz GBAGAIGIAGTGEK-UHFFFAOYSA-N 2 2 353.510 4.089 20 0 FIADLP CC[N@H+](CCOc1cccc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806222 1118706658 /nfs/dbraw/zinc/70/66/58/1118706658.db2.gz OPQPQVNDPBTHLH-UHFFFAOYSA-N 2 2 353.510 4.007 20 0 FIADLP CC[N@@H+](CCOc1cccc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806222 1118706660 /nfs/dbraw/zinc/70/66/60/1118706660.db2.gz OPQPQVNDPBTHLH-UHFFFAOYSA-N 2 2 353.510 4.007 20 0 FIADLP CC[N@H+](CCSc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807009 1118707180 /nfs/dbraw/zinc/70/71/80/1118707180.db2.gz GEXAUADCZGKYSH-UHFFFAOYSA-N 2 2 355.551 4.412 20 0 FIADLP CC[N@@H+](CCSc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807009 1118707185 /nfs/dbraw/zinc/70/71/85/1118707185.db2.gz GEXAUADCZGKYSH-UHFFFAOYSA-N 2 2 355.551 4.412 20 0 FIADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542133583 1118810492 /nfs/dbraw/zinc/81/04/92/1118810492.db2.gz WXWFBKQBMNBYOH-KRWDZBQOSA-N 2 2 365.481 4.187 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000151712909 1118967002 /nfs/dbraw/zinc/96/70/02/1118967002.db2.gz OBPDBNLXVHDIAP-MSOLQXFVSA-N 2 2 374.488 4.411 20 0 FIADLP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000151712837 1118967121 /nfs/dbraw/zinc/96/71/21/1118967121.db2.gz OBPDBNLXVHDIAP-ROUUACIJSA-N 2 2 374.488 4.411 20 0 FIADLP COc1ccc(C[NH+]2CCC([NH2+][C@H](C)Cc3cccc(F)c3)CC2)cc1 ZINC001168455190 1119409253 /nfs/dbraw/zinc/40/92/53/1119409253.db2.gz DHNJSRBSTZHQME-QGZVFWFLSA-N 2 2 356.485 4.020 20 0 FIADLP COc1cccc(C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C2CC2)c1 ZINC000179019777 1119425301 /nfs/dbraw/zinc/42/53/01/1119425301.db2.gz YRMAWIGUBZELOO-HSZRJFAPSA-N 2 2 361.489 4.051 20 0 FIADLP Clc1ccccc1O[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000542465841 1119447864 /nfs/dbraw/zinc/44/78/64/1119447864.db2.gz ZOVHPVIETOAIPR-OAHLLOKOSA-N 2 2 359.882 4.241 20 0 FIADLP Clc1ccccc1O[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000542465841 1119447867 /nfs/dbraw/zinc/44/78/67/1119447867.db2.gz ZOVHPVIETOAIPR-OAHLLOKOSA-N 2 2 359.882 4.241 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCc3cc(Br)cc(C)c31)CCC2 ZINC000493763159 1119492213 /nfs/dbraw/zinc/49/22/13/1119492213.db2.gz DPRVPEDFMXGECI-NVXWUHKLSA-N 2 2 374.326 4.417 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cc(Br)cs1)CCC2 ZINC000493767828 1119494332 /nfs/dbraw/zinc/49/43/32/1119494332.db2.gz NTZZVXBNIZYYRW-VXGBXAGGSA-N 2 2 354.317 4.244 20 0 FIADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000542478267 1119649224 /nfs/dbraw/zinc/64/92/24/1119649224.db2.gz KEPTWBWDXVUWGD-SVMVAKDDSA-N 2 2 355.501 4.268 20 0 FIADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000542478267 1119649226 /nfs/dbraw/zinc/64/92/26/1119649226.db2.gz KEPTWBWDXVUWGD-SVMVAKDDSA-N 2 2 355.501 4.268 20 0 FIADLP COc1ccc2nc(C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)sc2c1 ZINC000187490620 1119785867 /nfs/dbraw/zinc/78/58/67/1119785867.db2.gz VUFGVMJCNXCAKG-LSDHHAIUSA-N 2 2 359.539 4.048 20 0 FIADLP COc1ccc2nc(C[NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)sc2c1 ZINC000187490620 1119785873 /nfs/dbraw/zinc/78/58/73/1119785873.db2.gz VUFGVMJCNXCAKG-LSDHHAIUSA-N 2 2 359.539 4.048 20 0 FIADLP FC(F)(F)c1cccc(-c2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)o2)c1 ZINC000494390718 1119842967 /nfs/dbraw/zinc/84/29/67/1119842967.db2.gz HFGGTELVCFKPOI-OAHLLOKOSA-N 2 2 361.367 4.267 20 0 FIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(Br)o2)CC1 ZINC000191092301 1119960897 /nfs/dbraw/zinc/96/08/97/1119960897.db2.gz QZALZPZDFKCXCM-AWEZNQCLSA-N 2 2 363.299 4.357 20 0 FIADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cnn1C(C)(C)C ZINC000191168116 1119963171 /nfs/dbraw/zinc/96/31/71/1119963171.db2.gz MVWHMUPWLLAQKI-GOSISDBHSA-N 2 2 368.569 4.304 20 0 FIADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H](C)Cc2cccc(F)c2)CC1 ZINC001168468174 1120090513 /nfs/dbraw/zinc/09/05/13/1120090513.db2.gz LZFQYGDIVLGGDU-QGZVFWFLSA-N 2 2 358.476 4.458 20 0 FIADLP Cc1cnc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000670114281 1120342075 /nfs/dbraw/zinc/34/20/75/1120342075.db2.gz BEZFCUFMDHRJOT-IVZBYUQCSA-N 2 2 359.901 4.340 20 0 FIADLP Cc1cnc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000670114281 1120342078 /nfs/dbraw/zinc/34/20/78/1120342078.db2.gz BEZFCUFMDHRJOT-IVZBYUQCSA-N 2 2 359.901 4.340 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542530416 1120416893 /nfs/dbraw/zinc/41/68/93/1120416893.db2.gz FLGDLEWRFMHMLS-VQIMIIECSA-N 2 2 353.510 4.393 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542530416 1120416895 /nfs/dbraw/zinc/41/68/95/1120416895.db2.gz FLGDLEWRFMHMLS-VQIMIIECSA-N 2 2 353.510 4.393 20 0 FIADLP Cc1ccc2cc([C@@H](C)[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)oc2c1 ZINC000495257995 1120586200 /nfs/dbraw/zinc/58/62/00/1120586200.db2.gz ZDYMMKYBJGYRJH-GOSISDBHSA-N 2 2 364.489 4.424 20 0 FIADLP CC1(C)Cc2cccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c2O1 ZINC000236698721 1120969180 /nfs/dbraw/zinc/96/91/80/1120969180.db2.gz MIRVVDZNDHQNAL-UHFFFAOYSA-N 2 2 350.506 4.154 20 0 FIADLP FC(F)(F)COc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000056494687 1121332177 /nfs/dbraw/zinc/33/21/77/1121332177.db2.gz FTBWHKCUPCOEAZ-UHFFFAOYSA-N 2 2 356.432 4.078 20 0 FIADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000061030878 1121505256 /nfs/dbraw/zinc/50/52/56/1121505256.db2.gz OOOARWISMVCOHS-UHFFFAOYSA-N 2 2 374.532 4.092 20 0 FIADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671761362 1121791287 /nfs/dbraw/zinc/79/12/87/1121791287.db2.gz XITOJDSMACUEAW-ZHRRBRCNSA-N 2 2 365.477 4.239 20 0 FIADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671761362 1121791292 /nfs/dbraw/zinc/79/12/92/1121791292.db2.gz XITOJDSMACUEAW-ZHRRBRCNSA-N 2 2 365.477 4.239 20 0 FIADLP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OCc1cccs1 ZINC000067693873 1121791391 /nfs/dbraw/zinc/79/13/91/1121791391.db2.gz KVTBWTUKHUVPIE-RBUKOAKNSA-N 2 2 372.534 4.052 20 0 FIADLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)ccc1OCc1cccs1 ZINC000067693873 1121791397 /nfs/dbraw/zinc/79/13/97/1121791397.db2.gz KVTBWTUKHUVPIE-RBUKOAKNSA-N 2 2 372.534 4.052 20 0 FIADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000916838328 1121880586 /nfs/dbraw/zinc/88/05/86/1121880586.db2.gz XBJPGBYDFIAUEG-KRWDZBQOSA-N 2 2 374.960 4.105 20 0 FIADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000916838337 1121881201 /nfs/dbraw/zinc/88/12/01/1121881201.db2.gz XQZVHJLXNHABGA-MRXNPFEDSA-N 2 2 360.933 4.046 20 0 FIADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000916838329 1121881356 /nfs/dbraw/zinc/88/13/56/1121881356.db2.gz XBJPGBYDFIAUEG-QGZVFWFLSA-N 2 2 374.960 4.105 20 0 FIADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCCO2 ZINC000126539513 1121964078 /nfs/dbraw/zinc/96/40/78/1121964078.db2.gz OKTRFPLXPAIXQV-HXUWFJFHSA-N 2 2 353.510 4.389 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cc2ccccc2o1 ZINC000126746452 1121982642 /nfs/dbraw/zinc/98/26/42/1121982642.db2.gz XKSWOJKACAACLU-SFHVURJKSA-N 2 2 363.505 4.031 20 0 FIADLP CC(C)O[C@@H]1C[C@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)C1(C)C ZINC000765803767 1122055206 /nfs/dbraw/zinc/05/52/06/1122055206.db2.gz DEOBWXXJFNGXSV-LEWJYISDSA-N 2 2 359.558 4.221 20 0 FIADLP C[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cn1cc[nH+]c1 ZINC000067500710 1122167347 /nfs/dbraw/zinc/16/73/47/1122167347.db2.gz YKGKYRBKWKLWIA-LJQANCHMSA-N 2 2 371.488 4.162 20 0 FIADLP COc1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc2)cc1 ZINC000497384355 1122193600 /nfs/dbraw/zinc/19/36/00/1122193600.db2.gz KCXUQOQASXDLBS-DEOSSOPVSA-N 2 2 373.500 4.438 20 0 FIADLP C[C@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000129446160 1122603610 /nfs/dbraw/zinc/60/36/10/1122603610.db2.gz NEOHMHSXYGAUGF-WFASDCNBSA-N 2 2 364.371 4.126 20 0 FIADLP C[C@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000129446160 1122603612 /nfs/dbraw/zinc/60/36/12/1122603612.db2.gz NEOHMHSXYGAUGF-WFASDCNBSA-N 2 2 364.371 4.126 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2csc(Br)c2)C[C@H]1c1ccccc1 ZINC000556058570 1122628131 /nfs/dbraw/zinc/62/81/31/1122628131.db2.gz MESIKKMQYVFRHW-CVEARBPZSA-N 2 2 365.340 4.436 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2csc(Br)c2)C[C@H]1c1ccccc1 ZINC000556058570 1122628135 /nfs/dbraw/zinc/62/81/35/1122628135.db2.gz MESIKKMQYVFRHW-CVEARBPZSA-N 2 2 365.340 4.436 20 0 FIADLP Cc1[nH+]ccn1CC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000499053559 1123176752 /nfs/dbraw/zinc/17/67/52/1123176752.db2.gz IHHQPFVSNLQKCT-UHFFFAOYSA-N 2 2 368.308 4.180 20 0 FIADLP Cc1[nH+]ccn1CC[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000499055504 1123179577 /nfs/dbraw/zinc/17/95/77/1123179577.db2.gz NGLFRWDFXLRVAP-UHFFFAOYSA-N 2 2 354.267 4.004 20 0 FIADLP Cc1[nH+]ccn1CC[N@@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000499055504 1123179579 /nfs/dbraw/zinc/17/95/79/1123179579.db2.gz NGLFRWDFXLRVAP-UHFFFAOYSA-N 2 2 354.267 4.004 20 0 FIADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132146567 1123222855 /nfs/dbraw/zinc/22/28/55/1123222855.db2.gz GDTFFCJVGWNXMT-NRFANRHFSA-N 2 2 361.489 4.286 20 0 FIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(OC(F)F)c1 ZINC000132173909 1123226365 /nfs/dbraw/zinc/22/63/65/1123226365.db2.gz FWZDDCLNDDEDKP-INIZCTEOSA-N 2 2 371.431 4.426 20 0 FIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000132236746 1123233905 /nfs/dbraw/zinc/23/39/05/1123233905.db2.gz QCVHUHCABRFVBC-MOPGFXCFSA-N 2 2 363.505 4.264 20 0 FIADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CCCO2 ZINC000132320943 1123243134 /nfs/dbraw/zinc/24/31/34/1123243134.db2.gz OTKQARMWRAUUJJ-QFIPXVFZSA-N 2 2 366.505 4.163 20 0 FIADLP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CCCCNc1cccc[nH+]1)CCC2 ZINC000132842149 1123369058 /nfs/dbraw/zinc/36/90/58/1123369058.db2.gz AIJZDUGEBDSKMH-MRXNPFEDSA-N 2 2 364.415 4.355 20 0 FIADLP CCOc1ccc(-c2nc(C[N@H+](C)CCCn3cc[nH+]c3C)cs2)cc1 ZINC000136303299 1123875358 /nfs/dbraw/zinc/87/53/58/1123875358.db2.gz BWLWFRHOWPLNPJ-UHFFFAOYSA-N 2 2 370.522 4.236 20 0 FIADLP CCOc1ccc(-c2nc(C[N@@H+](C)CCCn3cc[nH+]c3C)cs2)cc1 ZINC000136303299 1123875364 /nfs/dbraw/zinc/87/53/64/1123875364.db2.gz BWLWFRHOWPLNPJ-UHFFFAOYSA-N 2 2 370.522 4.236 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245677427 1124186437 /nfs/dbraw/zinc/18/64/37/1124186437.db2.gz IGNLUJIJNRJWKI-ADHNFCLRSA-N 3 2 355.570 4.036 20 0 FIADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245677427 1124186438 /nfs/dbraw/zinc/18/64/38/1124186438.db2.gz IGNLUJIJNRJWKI-ADHNFCLRSA-N 3 2 355.570 4.036 20 0 FIADLP C[C@@H]1CCCC[NH+]1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245677427 1124186439 /nfs/dbraw/zinc/18/64/39/1124186439.db2.gz IGNLUJIJNRJWKI-ADHNFCLRSA-N 3 2 355.570 4.036 20 0 FIADLP C[C@@H]1CCCC[NH+]1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245677427 1124186441 /nfs/dbraw/zinc/18/64/41/1124186441.db2.gz IGNLUJIJNRJWKI-ADHNFCLRSA-N 3 2 355.570 4.036 20 0 FIADLP C[NH+](C)[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccs1 ZINC000245754501 1124241485 /nfs/dbraw/zinc/24/14/85/1124241485.db2.gz UPDBWZHKOGZTQE-WOZUAGRISA-N 2 2 369.578 4.136 20 0 FIADLP C[NH+](C)[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccs1 ZINC000245754501 1124241487 /nfs/dbraw/zinc/24/14/87/1124241487.db2.gz UPDBWZHKOGZTQE-WOZUAGRISA-N 2 2 369.578 4.136 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245806863 1124254804 /nfs/dbraw/zinc/25/48/04/1124254804.db2.gz YQJCZQLHKSMIGJ-IFXJQAMLSA-N 2 2 360.933 4.057 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245806863 1124254812 /nfs/dbraw/zinc/25/48/12/1124254812.db2.gz YQJCZQLHKSMIGJ-IFXJQAMLSA-N 2 2 360.933 4.057 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245806863 1124254817 /nfs/dbraw/zinc/25/48/17/1124254817.db2.gz YQJCZQLHKSMIGJ-IFXJQAMLSA-N 2 2 360.933 4.057 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245806863 1124254824 /nfs/dbraw/zinc/25/48/24/1124254824.db2.gz YQJCZQLHKSMIGJ-IFXJQAMLSA-N 2 2 360.933 4.057 20 0 FIADLP CO[C@@H](C)c1nc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cs1 ZINC000246084795 1124342501 /nfs/dbraw/zinc/34/25/01/1124342501.db2.gz UHMUOOZBNMAPDH-IRXDYDNUSA-N 2 2 365.587 4.327 20 0 FIADLP CO[C@@H](C)c1nc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cs1 ZINC000246084795 1124342508 /nfs/dbraw/zinc/34/25/08/1124342508.db2.gz UHMUOOZBNMAPDH-IRXDYDNUSA-N 2 2 365.587 4.327 20 0 FIADLP Clc1ccc2c(N[C@@H](C[NH+]3CCOCC3)c3ccccc3)cc[nH+]c2c1 ZINC000302811546 1124355928 /nfs/dbraw/zinc/35/59/28/1124355928.db2.gz WREUIRJZKRNGEK-NRFANRHFSA-N 2 2 367.880 4.374 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc(Br)ccc1O ZINC000181013689 1124506626 /nfs/dbraw/zinc/50/66/26/1124506626.db2.gz DKQIJCRIAPOTTM-ZDUSSCGKSA-N 2 2 372.266 4.191 20 0 FIADLP Clc1ccc(OCc2cccnc2)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000073649794 1124542831 /nfs/dbraw/zinc/54/28/31/1124542831.db2.gz BJPRJWHHDZBHHQ-UHFFFAOYSA-N 2 2 371.912 4.030 20 0 FIADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Oc1ccc(Cl)cc1 ZINC000246991666 1124580030 /nfs/dbraw/zinc/58/00/30/1124580030.db2.gz JJLHOIAKJSOZBD-CBGDNZLLSA-N 2 2 373.928 4.003 20 0 FIADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Oc1ccc(Cl)cc1 ZINC000246991666 1124580033 /nfs/dbraw/zinc/58/00/33/1124580033.db2.gz JJLHOIAKJSOZBD-CBGDNZLLSA-N 2 2 373.928 4.003 20 0 FIADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccc(Cl)cc1 ZINC000246991708 1124580087 /nfs/dbraw/zinc/58/00/87/1124580087.db2.gz JJLHOIAKJSOZBD-CSODHUTKSA-N 2 2 373.928 4.003 20 0 FIADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccc(Cl)cc1 ZINC000246991708 1124580091 /nfs/dbraw/zinc/58/00/91/1124580091.db2.gz JJLHOIAKJSOZBD-CSODHUTKSA-N 2 2 373.928 4.003 20 0 FIADLP CCCOc1ccc(Oc2ncccc2C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247069692 1124587350 /nfs/dbraw/zinc/58/73/50/1124587350.db2.gz ODYMEGHFLHRWSW-PKOBYXMFSA-N 2 2 369.509 4.235 20 0 FIADLP CCCOc1ccc(Oc2ncccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247069692 1124587359 /nfs/dbraw/zinc/58/73/59/1124587359.db2.gz ODYMEGHFLHRWSW-PKOBYXMFSA-N 2 2 369.509 4.235 20 0 FIADLP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H](C[NH+]4CCCC[C@@H]4C)C3)cnc21 ZINC000247115783 1124592819 /nfs/dbraw/zinc/59/28/19/1124592819.db2.gz YNPGLJAHBBXFRH-OALUTQOASA-N 2 2 369.557 4.099 20 0 FIADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H](C[NH+]4CCCC[C@@H]4C)C3)cnc21 ZINC000247115783 1124592826 /nfs/dbraw/zinc/59/28/26/1124592826.db2.gz YNPGLJAHBBXFRH-OALUTQOASA-N 2 2 369.557 4.099 20 0 FIADLP CC(C)n1ncc2cc(C[NH+]3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)cnc21 ZINC000247115783 1124592831 /nfs/dbraw/zinc/59/28/31/1124592831.db2.gz YNPGLJAHBBXFRH-OALUTQOASA-N 2 2 369.557 4.099 20 0 FIADLP CC(C)n1ncc2cc(C[NH+]3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)cnc21 ZINC000247115783 1124592836 /nfs/dbraw/zinc/59/28/36/1124592836.db2.gz YNPGLJAHBBXFRH-OALUTQOASA-N 2 2 369.557 4.099 20 0 FIADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247216098 1124598645 /nfs/dbraw/zinc/59/86/45/1124598645.db2.gz XFXOIDXZBUJYAL-FOIQADDNSA-N 2 2 367.468 4.276 20 0 FIADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247216098 1124598656 /nfs/dbraw/zinc/59/86/56/1124598656.db2.gz XFXOIDXZBUJYAL-FOIQADDNSA-N 2 2 367.468 4.276 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)CC[N@@H+]1C ZINC000248738195 1124808510 /nfs/dbraw/zinc/80/85/10/1124808510.db2.gz QKAGPNQKBAANET-XYPHTWIQSA-N 2 2 359.514 4.399 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)CC[N@H+]1C ZINC000248738195 1124808520 /nfs/dbraw/zinc/80/85/20/1124808520.db2.gz QKAGPNQKBAANET-XYPHTWIQSA-N 2 2 359.514 4.399 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000248838875 1124818216 /nfs/dbraw/zinc/81/82/16/1124818216.db2.gz KTDYPJGLXCPTPQ-MRDQGFSESA-N 2 2 367.518 4.111 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000248838875 1124818226 /nfs/dbraw/zinc/81/82/26/1124818226.db2.gz KTDYPJGLXCPTPQ-MRDQGFSESA-N 2 2 367.518 4.111 20 0 FIADLP CC(C)c1nc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cs1 ZINC000249033968 1124837178 /nfs/dbraw/zinc/83/71/78/1124837178.db2.gz SZLLWKLNWFMRTQ-DLBZAZTESA-N 2 2 373.566 4.338 20 0 FIADLP CC(C)c1nc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cs1 ZINC000249033968 1124837185 /nfs/dbraw/zinc/83/71/85/1124837185.db2.gz SZLLWKLNWFMRTQ-DLBZAZTESA-N 2 2 373.566 4.338 20 0 FIADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000090772375 1125019883 /nfs/dbraw/zinc/01/98/83/1125019883.db2.gz LWPUATIJGWBROO-OXJNMPFZSA-N 2 2 373.928 4.134 20 0 FIADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000090772375 1125019893 /nfs/dbraw/zinc/01/98/93/1125019893.db2.gz LWPUATIJGWBROO-OXJNMPFZSA-N 2 2 373.928 4.134 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1nc2ccccc2n1C ZINC000091341414 1125067180 /nfs/dbraw/zinc/06/71/80/1125067180.db2.gz ZXRILWFUEKRGQS-MSOLQXFVSA-N 2 2 362.521 4.450 20 0 FIADLP COC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccc(F)c(F)c1 ZINC000091413334 1125071673 /nfs/dbraw/zinc/07/16/73/1125071673.db2.gz UAUCLADPHJANCA-LHSJRXKWSA-N 2 2 371.431 4.497 20 0 FIADLP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000113323471 1125151852 /nfs/dbraw/zinc/15/18/52/1125151852.db2.gz ZZQHYGDKPJEUEQ-QWHCGFSZSA-N 2 2 365.251 4.311 20 0 FIADLP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000113323471 1125151860 /nfs/dbraw/zinc/15/18/60/1125151860.db2.gz ZZQHYGDKPJEUEQ-QWHCGFSZSA-N 2 2 365.251 4.311 20 0 FIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ncccc1C ZINC000093193318 1125279580 /nfs/dbraw/zinc/27/95/80/1125279580.db2.gz KONCFRPPGIKVRI-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ncccc1C ZINC000093193318 1125279583 /nfs/dbraw/zinc/27/95/83/1125279583.db2.gz KONCFRPPGIKVRI-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP CCCn1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000093318054 1125298164 /nfs/dbraw/zinc/29/81/64/1125298164.db2.gz QHPBZPLPDLXQFF-XMSQKQJNSA-N 2 2 368.569 4.395 20 0 FIADLP CCCn1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000093318054 1125298170 /nfs/dbraw/zinc/29/81/70/1125298170.db2.gz QHPBZPLPDLXQFF-XMSQKQJNSA-N 2 2 368.569 4.395 20 0 FIADLP CCCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000093318054 1125298177 /nfs/dbraw/zinc/29/81/77/1125298177.db2.gz QHPBZPLPDLXQFF-XMSQKQJNSA-N 2 2 368.569 4.395 20 0 FIADLP CCCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000093318054 1125298184 /nfs/dbraw/zinc/29/81/84/1125298184.db2.gz QHPBZPLPDLXQFF-XMSQKQJNSA-N 2 2 368.569 4.395 20 0 FIADLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CCO1 ZINC000275498262 527512306 /nfs/dbraw/zinc/51/23/06/527512306.db2.gz JMMBSWWRLUXLPH-XMSQKQJNSA-N 2 2 363.461 4.222 20 0 FIADLP CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000603966319 568191258 /nfs/dbraw/zinc/19/12/58/568191258.db2.gz ULPSITBYHPTCJY-INIZCTEOSA-N 2 2 373.884 4.130 20 0 FIADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]ccc4ccccc43)C[C@H]21 ZINC001165027650 721803090 /nfs/dbraw/zinc/80/30/90/721803090.db2.gz WWQQMKRULDMENN-UEVCKROQSA-N 2 2 372.516 4.367 20 0 FIADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]ccc4ccccc43)C[C@H]21 ZINC001165027650 721803091 /nfs/dbraw/zinc/80/30/91/721803091.db2.gz WWQQMKRULDMENN-UEVCKROQSA-N 2 2 372.516 4.367 20 0 FIADLP CCCOc1c(Cl)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644027 1125471109 /nfs/dbraw/zinc/47/11/09/1125471109.db2.gz CGCHBCOYGJUITQ-GDBMZVCRSA-N 2 2 354.922 4.052 20 0 FIADLP CCCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644027 1125471114 /nfs/dbraw/zinc/47/11/14/1125471114.db2.gz CGCHBCOYGJUITQ-GDBMZVCRSA-N 2 2 354.922 4.052 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000093644027 1125471118 /nfs/dbraw/zinc/47/11/18/1125471118.db2.gz CGCHBCOYGJUITQ-GDBMZVCRSA-N 2 2 354.922 4.052 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000093644027 1125471123 /nfs/dbraw/zinc/47/11/23/1125471123.db2.gz CGCHBCOYGJUITQ-GDBMZVCRSA-N 2 2 354.922 4.052 20 0 FIADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000093769910 1125519534 /nfs/dbraw/zinc/51/95/34/1125519534.db2.gz NUISFBXBJLJSOR-OAHLLOKOSA-N 2 2 355.507 4.330 20 0 FIADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000093769910 1125519540 /nfs/dbraw/zinc/51/95/40/1125519540.db2.gz NUISFBXBJLJSOR-OAHLLOKOSA-N 2 2 355.507 4.330 20 0 FIADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000093769910 1125519546 /nfs/dbraw/zinc/51/95/46/1125519546.db2.gz NUISFBXBJLJSOR-OAHLLOKOSA-N 2 2 355.507 4.330 20 0 FIADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000093769910 1125519551 /nfs/dbraw/zinc/51/95/51/1125519551.db2.gz NUISFBXBJLJSOR-OAHLLOKOSA-N 2 2 355.507 4.330 20 0 FIADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000153019015 1125718543 /nfs/dbraw/zinc/71/85/43/1125718543.db2.gz JBFSEVAWAVPXBV-AVRDEDQJSA-N 2 2 350.506 4.165 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(F)cc1Br ZINC000683224291 1080039528 /nfs/dbraw/zinc/03/95/28/1080039528.db2.gz HCCLZUMREZCBQT-UHFFFAOYSA-N 2 2 368.294 4.259 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(F)cc1Br ZINC000683224291 1080039539 /nfs/dbraw/zinc/03/95/39/1080039539.db2.gz HCCLZUMREZCBQT-UHFFFAOYSA-N 2 2 368.294 4.259 20 0 FIADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1F ZINC000683229306 1080060083 /nfs/dbraw/zinc/06/00/83/1080060083.db2.gz BHWABEPYMYMQRE-NQIIRXRSSA-N 2 2 356.485 4.076 20 0 FIADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1F ZINC000683229306 1080060096 /nfs/dbraw/zinc/06/00/96/1080060096.db2.gz BHWABEPYMYMQRE-NQIIRXRSSA-N 2 2 356.485 4.076 20 0 FIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+]2CCC[C@H](C)CC2)c1=S ZINC000748084267 1080202048 /nfs/dbraw/zinc/20/20/48/1080202048.db2.gz TUIKBENDHUJICQ-IRXDYDNUSA-N 2 2 367.607 4.306 20 0 FIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+]2CCC[C@H](C)CC2)c1=S ZINC000748084267 1080202056 /nfs/dbraw/zinc/20/20/56/1080202056.db2.gz TUIKBENDHUJICQ-IRXDYDNUSA-N 2 2 367.607 4.306 20 0 FIADLP c1ccc(CC[NH+]2CCC([NH2+]Cc3ccccc3OCC3CC3)CC2)cc1 ZINC000236722480 1080897379 /nfs/dbraw/zinc/89/73/79/1080897379.db2.gz PQVKCVKFCAWELV-UHFFFAOYSA-N 2 2 364.533 4.272 20 0 FIADLP Cc1csc([C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C2CC2)n1 ZINC000120200066 1080904618 /nfs/dbraw/zinc/90/46/18/1080904618.db2.gz OTQLTKJMXQWEQW-FQEVSTJZSA-N 2 2 373.541 4.338 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000655704983 1081126685 /nfs/dbraw/zinc/12/66/85/1081126685.db2.gz SHKUDEZDSHSECP-WIYYLYMNSA-N 2 2 366.505 4.383 20 0 FIADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655703399 1081127483 /nfs/dbraw/zinc/12/74/83/1081127483.db2.gz PIHFWVWFNQAKCM-DNVCBOLYSA-N 2 2 371.550 4.022 20 0 FIADLP Cc1c2ccccc2oc1[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000655710961 1081130437 /nfs/dbraw/zinc/13/04/37/1081130437.db2.gz FGEQUTIMHNRDMJ-WIYYLYMNSA-N 2 2 356.510 4.281 20 0 FIADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655721766 1081140526 /nfs/dbraw/zinc/14/05/26/1081140526.db2.gz BEHSEULSGJZFBY-LEWJYISDSA-N 2 2 370.562 4.183 20 0 FIADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2oc3ccccc3c2Br)C1 ZINC000655722109 1081140969 /nfs/dbraw/zinc/14/09/69/1081140969.db2.gz XIRAXKGNSIHYKJ-CYBMUJFWSA-N 2 2 351.288 4.015 20 0 FIADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2oc3ccccc3c2Br)C1 ZINC000655722109 1081140973 /nfs/dbraw/zinc/14/09/73/1081140973.db2.gz XIRAXKGNSIHYKJ-CYBMUJFWSA-N 2 2 351.288 4.015 20 0 FIADLP Fc1cccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc2)c1 ZINC000655722941 1081142033 /nfs/dbraw/zinc/14/20/33/1081142033.db2.gz JRUFVXVTONLZSH-DHIUTWEWSA-N 2 2 368.496 4.148 20 0 FIADLP Fc1ccc([C@H](CC(F)(F)F)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655735343 1081156602 /nfs/dbraw/zinc/15/66/02/1081156602.db2.gz HLRVLQJYXZCWGZ-ROUUACIJSA-N 2 2 374.422 4.052 20 0 FIADLP C[C@@H]1CCCC[C@H]1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001648830263 1081267782 /nfs/dbraw/zinc/26/77/82/1081267782.db2.gz NGAQJSWSWHNSGT-GGAORHGYSA-N 2 2 357.586 4.000 20 0 FIADLP CC(C)[C@H](C[NH2+][C@H](C)Cc1ccn(C(C)C)n1)[N@@H+]1CCc2ccccc2C1 ZINC000543995266 1081501803 /nfs/dbraw/zinc/50/18/03/1081501803.db2.gz AFOLZSDKLUHROT-XXBNENTESA-N 2 2 368.569 4.068 20 0 FIADLP CC(C)[C@H](C[NH2+][C@H](C)Cc1ccn(C(C)C)n1)[N@H+]1CCc2ccccc2C1 ZINC000543995266 1081501806 /nfs/dbraw/zinc/50/18/06/1081501806.db2.gz AFOLZSDKLUHROT-XXBNENTESA-N 2 2 368.569 4.068 20 0 FIADLP c1nc(C2CC2)sc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000580259386 1081786866 /nfs/dbraw/zinc/78/68/66/1081786866.db2.gz GECDWSQJOQXNBJ-NRFANRHFSA-N 2 2 353.535 4.119 20 0 FIADLP c1nc(C2CC2)sc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000580259386 1081786873 /nfs/dbraw/zinc/78/68/73/1081786873.db2.gz GECDWSQJOQXNBJ-NRFANRHFSA-N 2 2 353.535 4.119 20 0 FIADLP c1nc(C2CC2)sc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000580259386 1081786879 /nfs/dbraw/zinc/78/68/79/1081786879.db2.gz GECDWSQJOQXNBJ-NRFANRHFSA-N 2 2 353.535 4.119 20 0 FIADLP c1nc(C2CC2)sc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000580259386 1081786886 /nfs/dbraw/zinc/78/68/86/1081786886.db2.gz GECDWSQJOQXNBJ-NRFANRHFSA-N 2 2 353.535 4.119 20 0 FIADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129620955 1081857315 /nfs/dbraw/zinc/85/73/15/1081857315.db2.gz BXBOFWNLZCLYLS-KEYYUXOJSA-N 2 2 371.872 4.231 20 0 FIADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129620955 1081857321 /nfs/dbraw/zinc/85/73/21/1081857321.db2.gz BXBOFWNLZCLYLS-KEYYUXOJSA-N 2 2 371.872 4.231 20 0 FIADLP Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001167386991 1081909892 /nfs/dbraw/zinc/90/98/92/1081909892.db2.gz MTTZASCAFRANJI-DEOSSOPVSA-N 2 2 364.533 4.034 20 0 FIADLP Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001167386991 1081909893 /nfs/dbraw/zinc/90/98/93/1081909893.db2.gz MTTZASCAFRANJI-DEOSSOPVSA-N 2 2 364.533 4.034 20 0 FIADLP Brc1c2ccccc2oc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000656251676 1082016971 /nfs/dbraw/zinc/01/69/71/1082016971.db2.gz MGRIPVLCXDBRBQ-ZDUSSCGKSA-N 2 2 360.255 4.229 20 0 FIADLP Brc1c2ccccc2oc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000656251676 1082016979 /nfs/dbraw/zinc/01/69/79/1082016979.db2.gz MGRIPVLCXDBRBQ-ZDUSSCGKSA-N 2 2 360.255 4.229 20 0 FIADLP c1c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)noc1-c1ccccc1 ZINC000580641314 1082063250 /nfs/dbraw/zinc/06/32/50/1082063250.db2.gz NMUWPACUBAXMTL-FCHUYYIVSA-N 2 2 373.500 4.296 20 0 FIADLP c1c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)noc1-c1ccccc1 ZINC000580641314 1082063258 /nfs/dbraw/zinc/06/32/58/1082063258.db2.gz NMUWPACUBAXMTL-FCHUYYIVSA-N 2 2 373.500 4.296 20 0 FIADLP c1c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)noc1-c1ccccc1 ZINC000580641314 1082063266 /nfs/dbraw/zinc/06/32/66/1082063266.db2.gz NMUWPACUBAXMTL-FCHUYYIVSA-N 2 2 373.500 4.296 20 0 FIADLP c1c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)noc1-c1ccccc1 ZINC000580641314 1082063274 /nfs/dbraw/zinc/06/32/74/1082063274.db2.gz NMUWPACUBAXMTL-FCHUYYIVSA-N 2 2 373.500 4.296 20 0 FIADLP CC(C)(C)c1cnc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000684111678 1082225017 /nfs/dbraw/zinc/22/50/17/1082225017.db2.gz QAGMXILHDKLBOK-GOSISDBHSA-N 2 2 357.567 4.442 20 0 FIADLP CC(C)(C)c1cnc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000684111678 1082225020 /nfs/dbraw/zinc/22/50/20/1082225020.db2.gz QAGMXILHDKLBOK-GOSISDBHSA-N 2 2 357.567 4.442 20 0 FIADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000430554012 1082447793 /nfs/dbraw/zinc/44/77/93/1082447793.db2.gz UMRDRHSIPSNJIY-GXTWGEPZSA-N 2 2 369.456 4.388 20 0 FIADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000430554012 1082447795 /nfs/dbraw/zinc/44/77/95/1082447795.db2.gz UMRDRHSIPSNJIY-GXTWGEPZSA-N 2 2 369.456 4.388 20 0 FIADLP Cc1cc2c(s1)N(c1ccc(C[NH+](C)C)cn1)c1ccccc1NC2=[NH2+] ZINC001167460373 1082555762 /nfs/dbraw/zinc/55/57/62/1082555762.db2.gz MYJHLAKBMDJZSL-UHFFFAOYSA-N 2 2 363.490 4.333 20 0 FIADLP Fc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(C(F)F)cc2)cc1F ZINC000656788867 1082772262 /nfs/dbraw/zinc/77/22/62/1082772262.db2.gz HYQCVGNGBHNZCL-CRAIPNDOSA-N 2 2 352.375 4.138 20 0 FIADLP C[NH2+]C1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)CC1 ZINC000581726665 1082847637 /nfs/dbraw/zinc/84/76/37/1082847637.db2.gz XNPQSICOEMDCSZ-UHFFFAOYSA-N 2 2 374.532 4.091 20 0 FIADLP C[C@H]([NH2+][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1c[nH+]ccc1N ZINC000581878664 1082951701 /nfs/dbraw/zinc/95/17/01/1082951701.db2.gz XKZYVJFRALDDPS-SJCJKPOMSA-N 2 2 368.481 4.485 20 0 FIADLP CO[C@H](C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cs1 ZINC000471854310 1083121854 /nfs/dbraw/zinc/12/18/54/1083121854.db2.gz ZMBPHGWODGPNPC-YVWKXTFCSA-N 2 2 373.566 4.023 20 0 FIADLP CO[C@H](C)c1nc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cs1 ZINC000471854310 1083121862 /nfs/dbraw/zinc/12/18/62/1083121862.db2.gz ZMBPHGWODGPNPC-YVWKXTFCSA-N 2 2 373.566 4.023 20 0 FIADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CCOCC1)c1ccccc1 ZINC000510654483 1083222509 /nfs/dbraw/zinc/22/25/09/1083222509.db2.gz YGDCKZIGHNWKQC-CEWLAPEOSA-N 2 2 362.533 4.394 20 0 FIADLP COc1cc(OC)cc(Oc2ccc(C[NH+]3CCC([NH+](C)C)CC3)cc2)c1 ZINC000091669234 1083274717 /nfs/dbraw/zinc/27/47/17/1083274717.db2.gz LXHJOOUAANRHST-UHFFFAOYSA-N 2 2 370.493 4.022 20 0 FIADLP C[C@@H]1C[N@H+](Cc2cncc(C[NH+]3CCC(F)(F)[C@@H](C)C3)c2)CCC1(F)F ZINC000581984395 1083321552 /nfs/dbraw/zinc/32/15/52/1083321552.db2.gz BYAYLMZYAMBVPV-GASCZTMLSA-N 2 2 373.438 4.036 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2cncc(C[NH+]3CCC(F)(F)[C@@H](C)C3)c2)CCC1(F)F ZINC000581984395 1083321561 /nfs/dbraw/zinc/32/15/61/1083321561.db2.gz BYAYLMZYAMBVPV-GASCZTMLSA-N 2 2 373.438 4.036 20 0 FIADLP C[C@@H]1C[NH+](Cc2cncc(C[N@@H+]3CCC(F)(F)[C@@H](C)C3)c2)CCC1(F)F ZINC000581984395 1083321564 /nfs/dbraw/zinc/32/15/64/1083321564.db2.gz BYAYLMZYAMBVPV-GASCZTMLSA-N 2 2 373.438 4.036 20 0 FIADLP C[C@@H]1C[NH+](Cc2cncc(C[N@H+]3CCC(F)(F)[C@@H](C)C3)c2)CCC1(F)F ZINC000581984395 1083321570 /nfs/dbraw/zinc/32/15/70/1083321570.db2.gz BYAYLMZYAMBVPV-GASCZTMLSA-N 2 2 373.438 4.036 20 0 FIADLP C[C@@H](c1ccc2ccccc2c1)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000431085829 1083330930 /nfs/dbraw/zinc/33/09/30/1083330930.db2.gz RRUCQIMLQUVBTF-AWEZNQCLSA-N 2 2 350.466 4.142 20 0 FIADLP C[C@@H](c1ccc2ccccc2c1)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000431085829 1083330933 /nfs/dbraw/zinc/33/09/33/1083330933.db2.gz RRUCQIMLQUVBTF-AWEZNQCLSA-N 2 2 350.466 4.142 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000092588081 1083445000 /nfs/dbraw/zinc/44/50/00/1083445000.db2.gz IBFWLROGAFPBTH-QZTJIDSGSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000092588081 1083445011 /nfs/dbraw/zinc/44/50/11/1083445011.db2.gz IBFWLROGAFPBTH-QZTJIDSGSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000092588081 1083445015 /nfs/dbraw/zinc/44/50/15/1083445015.db2.gz IBFWLROGAFPBTH-QZTJIDSGSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000092588081 1083445019 /nfs/dbraw/zinc/44/50/19/1083445019.db2.gz IBFWLROGAFPBTH-QZTJIDSGSA-N 2 2 370.566 4.292 20 0 FIADLP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000510950291 1083527592 /nfs/dbraw/zinc/52/75/92/1083527592.db2.gz YXESGXZBEOUUDY-JLTOFOAXSA-N 2 2 351.425 4.358 20 0 FIADLP CC/C=C\CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510952009 1083529044 /nfs/dbraw/zinc/52/90/44/1083529044.db2.gz NGOGUMCPMKCUAZ-ARJAWSKDSA-N 2 2 352.276 4.097 20 0 FIADLP CC/C=C\CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510952009 1083529052 /nfs/dbraw/zinc/52/90/52/1083529052.db2.gz NGOGUMCPMKCUAZ-ARJAWSKDSA-N 2 2 352.276 4.097 20 0 FIADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000535808026 1083695611 /nfs/dbraw/zinc/69/56/11/1083695611.db2.gz MQSWCDIMHCFBOU-AVRDEDQJSA-N 2 2 350.506 4.297 20 0 FIADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000535808026 1083695615 /nfs/dbraw/zinc/69/56/15/1083695615.db2.gz MQSWCDIMHCFBOU-AVRDEDQJSA-N 2 2 350.506 4.297 20 0 FIADLP COc1ccc2ccccc2c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000535808026 1083695619 /nfs/dbraw/zinc/69/56/19/1083695619.db2.gz MQSWCDIMHCFBOU-AVRDEDQJSA-N 2 2 350.506 4.297 20 0 FIADLP COc1ccc2ccccc2c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000535808026 1083695623 /nfs/dbraw/zinc/69/56/23/1083695623.db2.gz MQSWCDIMHCFBOU-AVRDEDQJSA-N 2 2 350.506 4.297 20 0 FIADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000535838251 1083794382 /nfs/dbraw/zinc/79/43/82/1083794382.db2.gz KVMZVWRNFGZRMZ-GMKZXUHWSA-N 2 2 364.533 4.409 20 0 FIADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000535838251 1083794389 /nfs/dbraw/zinc/79/43/89/1083794389.db2.gz KVMZVWRNFGZRMZ-GMKZXUHWSA-N 2 2 364.533 4.409 20 0 FIADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1ccccc1-c1ccnn1C)c1ccccc1 ZINC000511023628 1084228901 /nfs/dbraw/zinc/22/89/01/1084228901.db2.gz AWCDBEBWSMJORN-SFHVURJKSA-N 2 2 362.521 4.306 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC001167512833 1084375862 /nfs/dbraw/zinc/37/58/62/1084375862.db2.gz QPLAIOGNKWOVQW-DNVCBOLYSA-N 2 2 365.359 4.490 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC001167512833 1084375874 /nfs/dbraw/zinc/37/58/74/1084375874.db2.gz QPLAIOGNKWOVQW-DNVCBOLYSA-N 2 2 365.359 4.490 20 0 FIADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1(C)C ZINC000414070175 1084424498 /nfs/dbraw/zinc/42/44/98/1084424498.db2.gz SEWQDNGZDCSHOZ-MOPGFXCFSA-N 2 2 355.526 4.046 20 0 FIADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1(C)C ZINC000414070180 1084425371 /nfs/dbraw/zinc/42/53/71/1084425371.db2.gz SEWQDNGZDCSHOZ-RBUKOAKNSA-N 2 2 355.526 4.046 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(C)c1 ZINC000414152381 1084704314 /nfs/dbraw/zinc/70/43/14/1084704314.db2.gz QHHJYDRKOJBYQL-OOHWJJMZSA-N 2 2 370.459 4.460 20 0 FIADLP Brc1ccsc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000043674662 1084849837 /nfs/dbraw/zinc/84/98/37/1084849837.db2.gz PRCKKVLTFUURCY-UHFFFAOYSA-N 2 2 365.340 4.265 20 0 FIADLP CC(C)(C)c1ccncc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414235746 1084883294 /nfs/dbraw/zinc/88/32/94/1084883294.db2.gz UULNKHPJPAHMFN-UHFFFAOYSA-N 2 2 369.528 4.315 20 0 FIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(C)o2)cc1 ZINC000582387961 1084933956 /nfs/dbraw/zinc/93/39/56/1084933956.db2.gz SWDVSZLRSZZGEV-UHFFFAOYSA-N 2 2 353.466 4.276 20 0 FIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(C)o2)cc1 ZINC000582387961 1084933960 /nfs/dbraw/zinc/93/39/60/1084933960.db2.gz SWDVSZLRSZZGEV-UHFFFAOYSA-N 2 2 353.466 4.276 20 0 FIADLP COCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccco1 ZINC000582486966 1085062976 /nfs/dbraw/zinc/06/29/76/1085062976.db2.gz UOVFVNVFTKNFAY-UXHICEINSA-N 2 2 354.494 4.144 20 0 FIADLP COCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccco1 ZINC000582486966 1085062984 /nfs/dbraw/zinc/06/29/84/1085062984.db2.gz UOVFVNVFTKNFAY-UXHICEINSA-N 2 2 354.494 4.144 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OCC2CC2)C[C@@H]1C ZINC001167589978 1085247563 /nfs/dbraw/zinc/24/75/63/1085247563.db2.gz LVEISXIMZWIUQU-HNAYVOBHSA-N 2 2 350.934 4.433 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OCC2CC2)C[C@@H]1C ZINC001167589978 1085247574 /nfs/dbraw/zinc/24/75/74/1085247574.db2.gz LVEISXIMZWIUQU-HNAYVOBHSA-N 2 2 350.934 4.433 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OCC2CC2)C[C@@H]1C ZINC001167589978 1085247586 /nfs/dbraw/zinc/24/75/86/1085247586.db2.gz LVEISXIMZWIUQU-HNAYVOBHSA-N 2 2 350.934 4.433 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OCC2CC2)C[C@@H]1C ZINC001167589978 1085247598 /nfs/dbraw/zinc/24/75/98/1085247598.db2.gz LVEISXIMZWIUQU-HNAYVOBHSA-N 2 2 350.934 4.433 20 0 FIADLP CCCCCOc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000097393497 1085407321 /nfs/dbraw/zinc/40/73/21/1085407321.db2.gz LDLFJGIGQXLQRR-UHFFFAOYSA-N 2 2 353.510 4.409 20 0 FIADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000657526697 1085411390 /nfs/dbraw/zinc/41/13/90/1085411390.db2.gz LNCYJJRVXJSWIH-IBGZPJMESA-N 2 2 367.541 4.023 20 0 FIADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000657526697 1085411399 /nfs/dbraw/zinc/41/13/99/1085411399.db2.gz LNCYJJRVXJSWIH-IBGZPJMESA-N 2 2 367.541 4.023 20 0 FIADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000472255091 1085665044 /nfs/dbraw/zinc/66/50/44/1085665044.db2.gz FVDBGUXQBQFDKV-LJQANCHMSA-N 2 2 365.587 4.124 20 0 FIADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000472255091 1085665047 /nfs/dbraw/zinc/66/50/47/1085665047.db2.gz FVDBGUXQBQFDKV-LJQANCHMSA-N 2 2 365.587 4.124 20 0 FIADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2cc(F)ccc2O1 ZINC000651949004 1085706082 /nfs/dbraw/zinc/70/60/82/1085706082.db2.gz AOEDTFSAXUBUPC-LJQANCHMSA-N 2 2 351.425 4.403 20 0 FIADLP CC1(C)C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2cc(F)ccc2O1 ZINC000651949429 1085707147 /nfs/dbraw/zinc/70/71/47/1085707147.db2.gz LDSPWNDIBISSKT-SFHVURJKSA-N 2 2 355.457 4.082 20 0 FIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 ZINC000582944700 1085947252 /nfs/dbraw/zinc/94/72/52/1085947252.db2.gz AQZDOLCZSSXIGF-DFQSSKMNSA-N 2 2 354.542 4.165 20 0 FIADLP C[C@H](c1ccc(Oc2ccccc2)cc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662146815 1086206271 /nfs/dbraw/zinc/20/62/71/1086206271.db2.gz BEPZAPXMUMBUTR-WIYYLYMNSA-N 2 2 366.505 4.071 20 0 FIADLP C[C@H](c1ccc(Oc2ccccc2)cc1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662146815 1086206278 /nfs/dbraw/zinc/20/62/78/1086206278.db2.gz BEPZAPXMUMBUTR-WIYYLYMNSA-N 2 2 366.505 4.071 20 0 FIADLP CC(C)Oc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000236784315 1086393651 /nfs/dbraw/zinc/39/36/51/1086393651.db2.gz BDHBPKVAFUDOAV-UHFFFAOYSA-N 2 2 367.537 4.298 20 0 FIADLP c1cn2c(n1)[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CCc1ccccc1-2 ZINC000663351857 1086452526 /nfs/dbraw/zinc/45/25/26/1086452526.db2.gz OTZAZTZYRZDODF-NRFANRHFSA-N 2 2 364.537 4.246 20 0 FIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@@H+]2CCC[C@H]2C2CC2)c1=S ZINC000728562369 1086549800 /nfs/dbraw/zinc/54/98/00/1086549800.db2.gz MXVFJBSMEPSSRA-SJORKVTESA-N 2 2 365.591 4.059 20 0 FIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@H+]2CCC[C@H]2C2CC2)c1=S ZINC000728562369 1086549808 /nfs/dbraw/zinc/54/98/08/1086549808.db2.gz MXVFJBSMEPSSRA-SJORKVTESA-N 2 2 365.591 4.059 20 0 FIADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000162887268 1086565983 /nfs/dbraw/zinc/56/59/83/1086565983.db2.gz UCOGUWIPQVDPPV-HNNXBMFYSA-N 2 2 367.522 4.451 20 0 FIADLP Cc1[nH+]ccn1CC[N@@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000473204833 1086607926 /nfs/dbraw/zinc/60/79/26/1086607926.db2.gz UNHJRSCFPMFHRL-INIZCTEOSA-N 2 2 355.429 4.000 20 0 FIADLP Cc1[nH+]ccn1CC[N@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000473204833 1086607929 /nfs/dbraw/zinc/60/79/29/1086607929.db2.gz UNHJRSCFPMFHRL-INIZCTEOSA-N 2 2 355.429 4.000 20 0 FIADLP c1cn(-c2ccc(-c3noc([C@H]4CC[C@H](c5ccccc5)C[NH2+]4)n3)cc2)c[nH+]1 ZINC001211577610 1086617466 /nfs/dbraw/zinc/61/74/66/1086617466.db2.gz VYEXCTMBZAXGPF-AZUAARDMSA-N 2 2 371.444 4.131 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cc2n(n1)CCCC2 ZINC000647289690 1086647646 /nfs/dbraw/zinc/64/76/46/1086647646.db2.gz DGZASVCLEXEZPN-YRNRMSPPSA-N 2 2 358.555 4.015 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cc2n(n1)CCCC2 ZINC000647289690 1086647652 /nfs/dbraw/zinc/64/76/52/1086647652.db2.gz DGZASVCLEXEZPN-YRNRMSPPSA-N 2 2 358.555 4.015 20 0 FIADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000236824989 1086703923 /nfs/dbraw/zinc/70/39/23/1086703923.db2.gz ROTJLDCBLQYHKM-ZDUSSCGKSA-N 2 2 367.971 4.379 20 0 FIADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000236824989 1086703935 /nfs/dbraw/zinc/70/39/35/1086703935.db2.gz ROTJLDCBLQYHKM-ZDUSSCGKSA-N 2 2 367.971 4.379 20 0 FIADLP Brc1cccc(C2CC([NH2+]CCCNc3cccc[nH+]3)C2)c1 ZINC000432407229 1086727894 /nfs/dbraw/zinc/72/78/94/1086727894.db2.gz LIEUIZBXDLVTFW-UHFFFAOYSA-N 2 2 360.299 4.182 20 0 FIADLP CC(C)C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccncc1 ZINC000647296929 1086756313 /nfs/dbraw/zinc/75/63/13/1086756313.db2.gz DPRGSYAKOMBFPL-OAQYLSRUSA-N 2 2 367.541 4.206 20 0 FIADLP CO[C@@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000583740792 1086941617 /nfs/dbraw/zinc/94/16/17/1086941617.db2.gz TXEMDWPDHBRLLD-PXNSSMCTSA-N 2 2 373.928 4.440 20 0 FIADLP CO[C@@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000583740792 1086941618 /nfs/dbraw/zinc/94/16/18/1086941618.db2.gz TXEMDWPDHBRLLD-PXNSSMCTSA-N 2 2 373.928 4.440 20 0 FIADLP CO[C@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000583740791 1086941705 /nfs/dbraw/zinc/94/17/05/1086941705.db2.gz TXEMDWPDHBRLLD-FXAWDEMLSA-N 2 2 373.928 4.440 20 0 FIADLP CO[C@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000583740791 1086941710 /nfs/dbraw/zinc/94/17/10/1086941710.db2.gz TXEMDWPDHBRLLD-FXAWDEMLSA-N 2 2 373.928 4.440 20 0 FIADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCn3cc[nH+]c3)s2)cc1 ZINC000151146672 1086966622 /nfs/dbraw/zinc/96/66/22/1086966622.db2.gz OXMPONITPMXHMA-AWEZNQCLSA-N 2 2 356.495 4.065 20 0 FIADLP COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000151664504 1087197666 /nfs/dbraw/zinc/19/76/66/1087197666.db2.gz GJPOWJDCPMFZKB-HZPDHXFCSA-N 2 2 351.450 4.301 20 0 FIADLP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000657833136 1087204709 /nfs/dbraw/zinc/20/47/09/1087204709.db2.gz FHHDESJDKZXTQT-QGZVFWFLSA-N 2 2 365.443 4.392 20 0 FIADLP C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000151685280 1087205074 /nfs/dbraw/zinc/20/50/74/1087205074.db2.gz DRSRFOJNNJXAKP-IAGOWNOFSA-N 2 2 363.461 4.445 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151694733 1087210393 /nfs/dbraw/zinc/21/03/93/1087210393.db2.gz QYFOPNKIOMKVLU-MSOLQXFVSA-N 2 2 374.488 4.411 20 0 FIADLP CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000584284931 1087247001 /nfs/dbraw/zinc/24/70/01/1087247001.db2.gz SZMNTAQJUNESKK-IBGZPJMESA-N 2 2 368.521 4.157 20 0 FIADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1cc2ccncc2s1 ZINC000657861513 1087414299 /nfs/dbraw/zinc/41/42/99/1087414299.db2.gz IOAPEABXYUEJBR-DZGCQCFKSA-N 2 2 354.523 4.456 20 0 FIADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092072639 1087438160 /nfs/dbraw/zinc/43/81/60/1087438160.db2.gz YSGKCGWCPBKCIV-KRWDZBQOSA-N 2 2 363.509 4.273 20 0 FIADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092072639 1087438162 /nfs/dbraw/zinc/43/81/62/1087438162.db2.gz YSGKCGWCPBKCIV-KRWDZBQOSA-N 2 2 363.509 4.273 20 0 FIADLP Brc1ccccc1C[NH+]1CCC(n2c[nH+]c3c2CCCC3)CC1 ZINC000685431926 1087566321 /nfs/dbraw/zinc/56/63/21/1087566321.db2.gz SQQRFOGFHPRYKA-UHFFFAOYSA-N 2 2 374.326 4.362 20 0 FIADLP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000657978317 1087687825 /nfs/dbraw/zinc/68/78/25/1087687825.db2.gz BOEJXIJRIBKAIY-AAEUAGOBSA-N 2 2 357.807 4.091 20 0 FIADLP [NH3+]Cc1nn(-c2ccc3[nH+]c(-c4ccc(Cl)cc4)cn3c2)c2ccccc12 ZINC001167698285 1087929537 /nfs/dbraw/zinc/92/95/37/1087929537.db2.gz RZNQVSRQSCHUBY-UHFFFAOYSA-N 2 2 373.847 4.452 20 0 FIADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000514090259 1088736892 /nfs/dbraw/zinc/73/68/92/1088736892.db2.gz UDSQDQKQTCVMHH-KRWDZBQOSA-N 2 2 369.459 4.363 20 0 FIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)cc1 ZINC000414851732 1088988745 /nfs/dbraw/zinc/98/87/45/1088988745.db2.gz UUMXYMPTIAQQCH-LJQANCHMSA-N 2 2 354.523 4.062 20 0 FIADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4nc5ccccc5s4)o3)C2)C1 ZINC000430121662 1089363479 /nfs/dbraw/zinc/36/34/79/1089363479.db2.gz GVNXZWGFAVDDQB-HXUWFJFHSA-N 2 2 353.491 4.084 20 0 FIADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4nc5ccccc5s4)o3)C2)C1 ZINC000430121662 1089363500 /nfs/dbraw/zinc/36/35/00/1089363500.db2.gz GVNXZWGFAVDDQB-HXUWFJFHSA-N 2 2 353.491 4.084 20 0 FIADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nc5ccccc5s4)o3)C2)C1 ZINC000430121662 1089363520 /nfs/dbraw/zinc/36/35/20/1089363520.db2.gz GVNXZWGFAVDDQB-HXUWFJFHSA-N 2 2 353.491 4.084 20 0 FIADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4nc5ccccc5s4)o3)C2)C1 ZINC000430121662 1089363537 /nfs/dbraw/zinc/36/35/37/1089363537.db2.gz GVNXZWGFAVDDQB-HXUWFJFHSA-N 2 2 353.491 4.084 20 0 FIADLP Cc1ncsc1C[N@@H+](Cc1csc2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC000435442143 1089666918 /nfs/dbraw/zinc/66/69/18/1089666918.db2.gz GXOYFIRIHONBLN-OAHLLOKOSA-N 2 2 357.548 4.278 20 0 FIADLP Cc1ncsc1C[N@H+](Cc1csc2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC000435442143 1089666923 /nfs/dbraw/zinc/66/69/23/1089666923.db2.gz GXOYFIRIHONBLN-OAHLLOKOSA-N 2 2 357.548 4.278 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C[C@H]1CCCO1)c1ccc(F)cc1)CCC2 ZINC000377817085 1089838784 /nfs/dbraw/zinc/83/87/84/1089838784.db2.gz PBBIKPDXIDXLEO-DFQSSKMNSA-N 2 2 357.473 4.108 20 0 FIADLP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)s2)cc1 ZINC000182087658 1090040590 /nfs/dbraw/zinc/04/05/90/1090040590.db2.gz TWDBAWUFSQMGPD-KRWDZBQOSA-N 2 2 366.534 4.307 20 0 FIADLP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)s2)cc1 ZINC000182087658 1090040603 /nfs/dbraw/zinc/04/06/03/1090040603.db2.gz TWDBAWUFSQMGPD-KRWDZBQOSA-N 2 2 366.534 4.307 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000182092664 1090042657 /nfs/dbraw/zinc/04/26/57/1090042657.db2.gz XLXSAZGKZJFUGO-CQSZACIVSA-N 2 2 358.536 4.060 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000182092664 1090042667 /nfs/dbraw/zinc/04/26/67/1090042667.db2.gz XLXSAZGKZJFUGO-CQSZACIVSA-N 2 2 358.536 4.060 20 0 FIADLP COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC000659955368 1090313685 /nfs/dbraw/zinc/31/36/85/1090313685.db2.gz RMJUPRCDDGLDPE-WIYYLYMNSA-N 2 2 370.537 4.056 20 0 FIADLP COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC000659955368 1090313691 /nfs/dbraw/zinc/31/36/91/1090313691.db2.gz RMJUPRCDDGLDPE-WIYYLYMNSA-N 2 2 370.537 4.056 20 0 FIADLP COc1ccccc1-c1ccc([C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000659955368 1090313698 /nfs/dbraw/zinc/31/36/98/1090313698.db2.gz RMJUPRCDDGLDPE-WIYYLYMNSA-N 2 2 370.537 4.056 20 0 FIADLP COc1ccccc1-c1ccc([C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000659955368 1090313706 /nfs/dbraw/zinc/31/37/06/1090313706.db2.gz RMJUPRCDDGLDPE-WIYYLYMNSA-N 2 2 370.537 4.056 20 0 FIADLP c1cc(Sc2ccccn2)oc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000511550771 1090377626 /nfs/dbraw/zinc/37/76/26/1090377626.db2.gz BBNXRNQXQJWQOP-UHFFFAOYSA-N 2 2 357.523 4.322 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1C[NH+]1CCCCC1 ZINC000183165809 1090395620 /nfs/dbraw/zinc/39/56/20/1090395620.db2.gz NSUPYOJCSWHGFB-IBGZPJMESA-N 3 2 373.585 4.205 20 0 FIADLP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C ZINC000312268561 1090467021 /nfs/dbraw/zinc/46/70/21/1090467021.db2.gz IDNKCCWJQVEJEQ-FDDCHVKYSA-N 2 2 362.521 4.136 20 0 FIADLP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C ZINC000312268561 1090467027 /nfs/dbraw/zinc/46/70/27/1090467027.db2.gz IDNKCCWJQVEJEQ-FDDCHVKYSA-N 2 2 362.521 4.136 20 0 FIADLP C[C@H](c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1)C(F)(F)F ZINC000660474369 1091592528 /nfs/dbraw/zinc/59/25/28/1091592528.db2.gz IDDUSTUFLFTNHK-VQIMIIECSA-N 2 2 370.459 4.039 20 0 FIADLP C[C@H](c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1)C(F)(F)F ZINC000660474369 1091592537 /nfs/dbraw/zinc/59/25/37/1091592537.db2.gz IDDUSTUFLFTNHK-VQIMIIECSA-N 2 2 370.459 4.039 20 0 FIADLP Nc1cccc2c1cc[nH+]c2N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000663753444 1091889059 /nfs/dbraw/zinc/88/90/59/1091889059.db2.gz GSBCKSVZNPTLRP-UHFFFAOYSA-N 2 2 372.516 4.310 20 0 FIADLP Nc1cccc2c1cc[nH+]c2N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000663753444 1091889063 /nfs/dbraw/zinc/88/90/63/1091889063.db2.gz GSBCKSVZNPTLRP-UHFFFAOYSA-N 2 2 372.516 4.310 20 0 FIADLP CCCc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000512351055 1092116517 /nfs/dbraw/zinc/11/65/17/1092116517.db2.gz YGIZGOUNCDQPHR-UHFFFAOYSA-N 2 2 351.538 4.173 20 0 FIADLP CCCc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000512351055 1092116523 /nfs/dbraw/zinc/11/65/23/1092116523.db2.gz YGIZGOUNCDQPHR-UHFFFAOYSA-N 2 2 351.538 4.173 20 0 FIADLP CC[C@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000512369361 1092173488 /nfs/dbraw/zinc/17/34/88/1092173488.db2.gz BBKUMESXYLRKNK-HXUWFJFHSA-N 2 2 351.538 4.214 20 0 FIADLP CC[C@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000512369361 1092173493 /nfs/dbraw/zinc/17/34/93/1092173493.db2.gz BBKUMESXYLRKNK-HXUWFJFHSA-N 2 2 351.538 4.214 20 0 FIADLP c1c[nH+]c(C2CC[NH+](Cc3ccc(-n4cnc5ccccc54)cc3)CC2)[nH]1 ZINC000512379777 1092192932 /nfs/dbraw/zinc/19/29/32/1092192932.db2.gz OTHHIJOCLFMNNV-UHFFFAOYSA-N 2 2 357.461 4.128 20 0 FIADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000512432286 1092314279 /nfs/dbraw/zinc/31/42/79/1092314279.db2.gz OQKJLXQNHOVINE-UHFFFAOYSA-N 2 2 350.506 4.469 20 0 FIADLP CC[NH+](CC)CCCC1CC[NH+](Cc2noc(-c3ccccc3C)n2)CC1 ZINC000520873301 1092319698 /nfs/dbraw/zinc/31/96/98/1092319698.db2.gz NQZHSTUGJGUDFO-UHFFFAOYSA-N 2 2 370.541 4.379 20 0 FIADLP CC(C)(C)c1ccc(-c2ccc(C[NH2+]CCC[NH+]3CCC(O)CC3)o2)cc1 ZINC000236709187 1092414834 /nfs/dbraw/zinc/41/48/34/1092414834.db2.gz XVIWBSTXVBKCGD-UHFFFAOYSA-N 2 2 370.537 4.181 20 0 FIADLP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000521122478 1092500937 /nfs/dbraw/zinc/50/09/37/1092500937.db2.gz QVVOXPYYIWAIJK-IEBWSBKVSA-N 2 2 353.510 4.223 20 0 FIADLP COc1ccc(Oc2ccc(C[NH+]3CCC([NH2+]C(C)C)CC3)cc2)cc1 ZINC000544348286 1092684390 /nfs/dbraw/zinc/68/43/90/1092684390.db2.gz FPWQYMMVONEDQJ-UHFFFAOYSA-N 2 2 354.494 4.450 20 0 FIADLP CC[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000236920769 1092744808 /nfs/dbraw/zinc/74/48/08/1092744808.db2.gz RLSKXEOKSXJARH-UHFFFAOYSA-N 2 2 363.299 4.283 20 0 FIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)c(C)c1 ZINC000442822790 1092778832 /nfs/dbraw/zinc/77/88/32/1092778832.db2.gz XSWQTJGLBUWJFX-UUOWRZLLSA-N 2 2 370.500 4.480 20 0 FIADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000442876479 1092832459 /nfs/dbraw/zinc/83/24/59/1092832459.db2.gz REUSBCPRVRQILU-WOJBJXKFSA-N 2 2 358.574 4.082 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccc4[nH]ccc4c3)C2)CC1 ZINC000521899104 1092970556 /nfs/dbraw/zinc/97/05/56/1092970556.db2.gz JYUXIVFVCVMIFF-UHFFFAOYSA-N 2 2 351.416 4.063 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc1O ZINC000521944564 1092991597 /nfs/dbraw/zinc/99/15/97/1092991597.db2.gz DZEWJMYUAISTMC-KRWDZBQOSA-N 2 2 354.494 4.024 20 0 FIADLP COc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000152223263 1093200507 /nfs/dbraw/zinc/20/05/07/1093200507.db2.gz BURKSLMAJPGSNX-INIZCTEOSA-N 2 2 351.450 4.049 20 0 FIADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000663979765 1093217614 /nfs/dbraw/zinc/21/76/14/1093217614.db2.gz AMDFMLCFSQNNFR-UHFFFAOYSA-N 2 2 360.461 4.111 20 0 FIADLP C[C@@H]1CC([NH2+][C@@H](CO)c2ccc(Cl)cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168023850 1093368422 /nfs/dbraw/zinc/36/84/22/1093368422.db2.gz YIXZBYDNGHRJQH-YVHKJVDXSA-N 2 2 372.940 4.405 20 0 FIADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)n2)cc1F ZINC000247537635 1093384088 /nfs/dbraw/zinc/38/40/88/1093384088.db2.gz JUUOIPUNNAHKHV-VKJFTORMSA-N 2 2 369.444 4.025 20 0 FIADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)n2)cc1F ZINC000247537635 1093384096 /nfs/dbraw/zinc/38/40/96/1093384096.db2.gz JUUOIPUNNAHKHV-VKJFTORMSA-N 2 2 369.444 4.025 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000191503867 1093422886 /nfs/dbraw/zinc/42/28/86/1093422886.db2.gz MDSFTXMKCBVHHC-UHFFFAOYSA-N 2 2 373.888 4.061 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000191503867 1093422891 /nfs/dbraw/zinc/42/28/91/1093422891.db2.gz MDSFTXMKCBVHHC-UHFFFAOYSA-N 2 2 373.888 4.061 20 0 FIADLP Fc1ccc([C@H]([NH2+]CCCCNc2cccc[nH+]2)c2cccnc2)cc1 ZINC000544359964 1093466250 /nfs/dbraw/zinc/46/62/50/1093466250.db2.gz RAGIVQLFKQSSER-NRFANRHFSA-N 2 2 350.441 4.187 20 0 FIADLP CCCc1nc(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)o1 ZINC000576465731 1093877497 /nfs/dbraw/zinc/87/74/97/1093877497.db2.gz KQUDCNAYSAIXKT-IBGZPJMESA-N 2 2 353.510 4.222 20 0 FIADLP CCCc1nc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)o1 ZINC000576465731 1093877505 /nfs/dbraw/zinc/87/75/05/1093877505.db2.gz KQUDCNAYSAIXKT-IBGZPJMESA-N 2 2 353.510 4.222 20 0 FIADLP c1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3cccc(-c4ccncc4)c3)C1)CCCC2 ZINC000433758685 1094082135 /nfs/dbraw/zinc/08/21/35/1094082135.db2.gz NRHQZKMWMQKNHU-OAQYLSRUSA-N 2 2 358.489 4.271 20 0 FIADLP c1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3cccc(-c4ccncc4)c3)C1)CCCC2 ZINC000433758685 1094082141 /nfs/dbraw/zinc/08/21/41/1094082141.db2.gz NRHQZKMWMQKNHU-OAQYLSRUSA-N 2 2 358.489 4.271 20 0 FIADLP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000513488018 1094167100 /nfs/dbraw/zinc/16/71/00/1094167100.db2.gz NQCMKJQQMVBESW-OFNKIYASSA-N 3 2 374.532 4.263 20 0 FIADLP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[N@H+]1Cc1ccccc1 ZINC000513488018 1094167105 /nfs/dbraw/zinc/16/71/05/1094167105.db2.gz NQCMKJQQMVBESW-OFNKIYASSA-N 3 2 374.532 4.263 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)cc1F ZINC000513539566 1094210486 /nfs/dbraw/zinc/21/04/86/1094210486.db2.gz RJNRZDLFKDRERQ-GOSISDBHSA-N 2 2 357.379 4.375 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc([C@@H]3C[C@H]3C)o2)[C@@H]1c1cnn(C)c1 ZINC000434018600 1094240754 /nfs/dbraw/zinc/24/07/54/1094240754.db2.gz PYZAELMMTJFSEV-IMLKGASGSA-N 2 2 370.541 4.042 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc([C@@H]3C[C@H]3C)o2)[C@@H]1c1cnn(C)c1 ZINC000434018600 1094240758 /nfs/dbraw/zinc/24/07/58/1094240758.db2.gz PYZAELMMTJFSEV-IMLKGASGSA-N 2 2 370.541 4.042 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc([C@@H]3C[C@H]3C)o2)[C@@H]1c1cnn(C)c1 ZINC000434018600 1094240759 /nfs/dbraw/zinc/24/07/59/1094240759.db2.gz PYZAELMMTJFSEV-IMLKGASGSA-N 2 2 370.541 4.042 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc([C@@H]3C[C@H]3C)o2)[C@@H]1c1cnn(C)c1 ZINC000434018600 1094240762 /nfs/dbraw/zinc/24/07/62/1094240762.db2.gz PYZAELMMTJFSEV-IMLKGASGSA-N 2 2 370.541 4.042 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000474797027 1094611426 /nfs/dbraw/zinc/61/14/26/1094611426.db2.gz PYDZTBWFYYQSNJ-CVEARBPZSA-N 2 2 352.950 4.311 20 0 FIADLP c1cc(C[N@H+](Cc2nc(C3CC3)cs2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000420312638 1094875404 /nfs/dbraw/zinc/87/54/04/1094875404.db2.gz ONUXODVUBYFDPU-QGZVFWFLSA-N 2 2 359.564 4.226 20 0 FIADLP c1cc(C[N@@H+](Cc2nc(C3CC3)cs2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000420312638 1094875424 /nfs/dbraw/zinc/87/54/24/1094875424.db2.gz ONUXODVUBYFDPU-QGZVFWFLSA-N 2 2 359.564 4.226 20 0 FIADLP CSc1ccccc1C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420316448 1094879320 /nfs/dbraw/zinc/87/93/20/1094879320.db2.gz SSHKLQGYIZASLJ-QGZVFWFLSA-N 2 2 359.564 4.009 20 0 FIADLP CSc1ccccc1C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420316448 1094879333 /nfs/dbraw/zinc/87/93/33/1094879333.db2.gz SSHKLQGYIZASLJ-QGZVFWFLSA-N 2 2 359.564 4.009 20 0 FIADLP CC(C)(C)c1cc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)no1 ZINC000420319573 1094882074 /nfs/dbraw/zinc/88/20/74/1094882074.db2.gz XTMQAHMPUQRVLX-KRWDZBQOSA-N 2 2 359.539 4.178 20 0 FIADLP CC(C)(C)c1cc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)no1 ZINC000420319573 1094882087 /nfs/dbraw/zinc/88/20/87/1094882087.db2.gz XTMQAHMPUQRVLX-KRWDZBQOSA-N 2 2 359.539 4.178 20 0 FIADLP c1ccc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CCC2)cc1 ZINC000420942469 1095205916 /nfs/dbraw/zinc/20/59/16/1095205916.db2.gz VONYPOYBCWNSSY-HSZRJFAPSA-N 2 2 350.506 4.150 20 0 FIADLP FC(F)C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000420990926 1095228433 /nfs/dbraw/zinc/22/84/33/1095228433.db2.gz HBWNNSLSGONHGV-FQEVSTJZSA-N 2 2 360.448 4.005 20 0 FIADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000502292471 1095314815 /nfs/dbraw/zinc/31/48/15/1095314815.db2.gz WTJBNZHSDUYDNJ-FPOVZHCZSA-N 2 2 364.537 4.280 20 0 FIADLP c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000502325331 1095352495 /nfs/dbraw/zinc/35/24/95/1095352495.db2.gz IZAKONLRHMJEBR-HNNXBMFYSA-N 2 2 367.522 4.051 20 0 FIADLP c1cc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000502325331 1095352510 /nfs/dbraw/zinc/35/25/10/1095352510.db2.gz IZAKONLRHMJEBR-HNNXBMFYSA-N 2 2 367.522 4.051 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCCCOc3ccccc3)C2)n2c1CCCC2 ZINC000502315107 1095365398 /nfs/dbraw/zinc/36/53/98/1095365398.db2.gz WQNKPEXMJMQRQX-LJQANCHMSA-N 2 2 353.510 4.258 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@H+](CCCCOc3ccccc3)C2)n2c1CCCC2 ZINC000502315107 1095365404 /nfs/dbraw/zinc/36/54/04/1095365404.db2.gz WQNKPEXMJMQRQX-LJQANCHMSA-N 2 2 353.510 4.258 20 0 FIADLP Clc1cc2c(c(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c1)OCC2 ZINC000502315953 1095366006 /nfs/dbraw/zinc/36/60/06/1095366006.db2.gz XRUKMTCQHLNFGB-INIZCTEOSA-N 2 2 371.912 4.187 20 0 FIADLP Clc1cc2c(c(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c1)OCC2 ZINC000502315953 1095366022 /nfs/dbraw/zinc/36/60/22/1095366022.db2.gz XRUKMTCQHLNFGB-INIZCTEOSA-N 2 2 371.912 4.187 20 0 FIADLP CC1(C)Cc2cc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)ccc2O1 ZINC000502345624 1095381989 /nfs/dbraw/zinc/38/19/89/1095381989.db2.gz LHCYWKYWNKTSMU-SFHVURJKSA-N 2 2 365.521 4.313 20 0 FIADLP CC1(C)Cc2cc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)ccc2O1 ZINC000502345624 1095381997 /nfs/dbraw/zinc/38/19/97/1095381997.db2.gz LHCYWKYWNKTSMU-SFHVURJKSA-N 2 2 365.521 4.313 20 0 FIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421353930 1095546331 /nfs/dbraw/zinc/54/63/31/1095546331.db2.gz GOSPNQGPZFKMEP-UHFFFAOYSA-N 2 2 363.509 4.384 20 0 FIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421353930 1095546348 /nfs/dbraw/zinc/54/63/48/1095546348.db2.gz GOSPNQGPZFKMEP-UHFFFAOYSA-N 2 2 363.509 4.384 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC[N@@H+]1C ZINC000421371458 1095570353 /nfs/dbraw/zinc/57/03/53/1095570353.db2.gz XVQQWCITHDEMNA-FXAWDEMLSA-N 2 2 352.526 4.238 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC[N@H+]1C ZINC000421371458 1095570372 /nfs/dbraw/zinc/57/03/72/1095570372.db2.gz XVQQWCITHDEMNA-FXAWDEMLSA-N 2 2 352.526 4.238 20 0 FIADLP C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000639478081 1095677179 /nfs/dbraw/zinc/67/71/79/1095677179.db2.gz KMKSSEKOWUTRLR-UZLBHIALSA-N 2 2 373.460 4.484 20 0 FIADLP C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000639478081 1095677185 /nfs/dbraw/zinc/67/71/85/1095677185.db2.gz KMKSSEKOWUTRLR-UZLBHIALSA-N 2 2 373.460 4.484 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cnn(C2CCCC2)c1 ZINC000502699756 1095725976 /nfs/dbraw/zinc/72/59/76/1095725976.db2.gz SNAAYPBIFBFPEV-HNNXBMFYSA-N 2 2 353.445 4.174 20 0 FIADLP CC(=O)Nc1cccc([C@H](C)[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)c1 ZINC000395635993 1095819725 /nfs/dbraw/zinc/81/97/25/1095819725.db2.gz HIZGZQAEZMMNIV-SFHVURJKSA-N 2 2 365.521 4.350 20 0 FIADLP CC(=O)Nc1cccc([C@H](C)[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)c1 ZINC000395635993 1095819748 /nfs/dbraw/zinc/81/97/48/1095819748.db2.gz HIZGZQAEZMMNIV-SFHVURJKSA-N 2 2 365.521 4.350 20 0 FIADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000421819532 1095933636 /nfs/dbraw/zinc/93/36/36/1095933636.db2.gz HPFHBLQNLBHUBQ-OAHLLOKOSA-N 2 2 355.869 4.444 20 0 FIADLP COc1ccc([C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C2CC2)c(F)c1 ZINC000421818563 1095953899 /nfs/dbraw/zinc/95/38/99/1095953899.db2.gz BLVXWXMKVKODCR-JOCHJYFZSA-N 2 2 365.452 4.320 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000272649077 1096198612 /nfs/dbraw/zinc/19/86/12/1096198612.db2.gz DTHQXIIFGANLSO-HKUYNNGSSA-N 2 2 370.459 4.161 20 0 FIADLP COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1C ZINC000273240916 1096242758 /nfs/dbraw/zinc/24/27/58/1096242758.db2.gz YQQVFYSXEBDADW-INIZCTEOSA-N 2 2 350.466 4.052 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)n2c1CCCC2 ZINC000503409311 1096388240 /nfs/dbraw/zinc/38/82/40/1096388240.db2.gz TZSSZDYJFLVIBI-ICSRJNTNSA-N 2 2 357.542 4.281 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)n2c1CCCC2 ZINC000503409311 1096388248 /nfs/dbraw/zinc/38/82/48/1096388248.db2.gz TZSSZDYJFLVIBI-ICSRJNTNSA-N 2 2 357.542 4.281 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C/C(C)=C/c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000503559843 1096474300 /nfs/dbraw/zinc/47/43/00/1096474300.db2.gz NKPYSSBSMPSYNM-HHMCTSDTSA-N 2 2 366.553 4.228 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C/C(C)=C/c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000503559843 1096474307 /nfs/dbraw/zinc/47/43/07/1096474307.db2.gz NKPYSSBSMPSYNM-HHMCTSDTSA-N 2 2 366.553 4.228 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C/C(C)=C/c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000503559843 1096474312 /nfs/dbraw/zinc/47/43/12/1096474312.db2.gz NKPYSSBSMPSYNM-HHMCTSDTSA-N 2 2 366.553 4.228 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C/C(C)=C/c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000503559843 1096474319 /nfs/dbraw/zinc/47/43/19/1096474319.db2.gz NKPYSSBSMPSYNM-HHMCTSDTSA-N 2 2 366.553 4.228 20 0 FIADLP CCCOc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(OC(F)F)c1 ZINC000422891186 1096514931 /nfs/dbraw/zinc/51/49/31/1096514931.db2.gz UQBDZJVTUREDAG-ZWKOTPCHSA-N 2 2 362.420 4.311 20 0 FIADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000422957366 1096539138 /nfs/dbraw/zinc/53/91/38/1096539138.db2.gz SXQHFBBHCDVYDW-GFCCVEGCSA-N 2 2 350.293 4.495 20 0 FIADLP CC(C)[N@@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000423043649 1096558821 /nfs/dbraw/zinc/55/88/21/1096558821.db2.gz PKVOJNLYRYQHCA-KJJMTIBFSA-N 2 2 371.475 4.223 20 0 FIADLP CC(C)[N@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000423043649 1096558831 /nfs/dbraw/zinc/55/88/31/1096558831.db2.gz PKVOJNLYRYQHCA-KJJMTIBFSA-N 2 2 371.475 4.223 20 0 FIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)c2ccccc21 ZINC000423117128 1096577767 /nfs/dbraw/zinc/57/77/67/1096577767.db2.gz TXAIBLDKVCXSEN-BRWVUGGUSA-N 2 2 359.267 4.007 20 0 FIADLP COc1ccc([C@H]([NH2+][C@H]2C[C@H](c3cccc(OC)c3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423154822 1096589754 /nfs/dbraw/zinc/58/97/54/1096589754.db2.gz KAKUVZBZSOUFFD-ZZTDLJEGSA-N 2 2 366.505 4.033 20 0 FIADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1csc(-c2ccccc2F)n1 ZINC000423187317 1096610023 /nfs/dbraw/zinc/61/00/23/1096610023.db2.gz MJHKGBZMJMDMGS-HNNXBMFYSA-N 2 2 370.497 4.175 20 0 FIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000423505644 1096701120 /nfs/dbraw/zinc/70/11/20/1096701120.db2.gz OPSSLONOJPBQLI-IIBYNOLFSA-N 2 2 368.525 4.130 20 0 FIADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc2ccccc2c1OC(F)F ZINC000515530181 1098668542 /nfs/dbraw/zinc/66/85/42/1098668542.db2.gz VZALYEDERYUZGE-JSGCOSHPSA-N 2 2 357.404 4.372 20 0 FIADLP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000436056239 1098681818 /nfs/dbraw/zinc/68/18/18/1098681818.db2.gz SHVRXDGYWQIURJ-KGLIPLIRSA-N 2 2 367.921 4.417 20 0 FIADLP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000436056239 1098681823 /nfs/dbraw/zinc/68/18/23/1098681823.db2.gz SHVRXDGYWQIURJ-KGLIPLIRSA-N 2 2 367.921 4.417 20 0 FIADLP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000436056238 1098682522 /nfs/dbraw/zinc/68/25/22/1098682522.db2.gz SHVRXDGYWQIURJ-KBPBESRZSA-N 2 2 367.921 4.417 20 0 FIADLP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000436056238 1098682536 /nfs/dbraw/zinc/68/25/36/1098682536.db2.gz SHVRXDGYWQIURJ-KBPBESRZSA-N 2 2 367.921 4.417 20 0 FIADLP CC[NH+](CC)Cc1ccccc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001211994316 1099159017 /nfs/dbraw/zinc/15/90/17/1099159017.db2.gz SNCFOWPRDZRWAW-UHFFFAOYSA-N 2 2 353.510 4.104 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c(C)[nH+]1 ZINC000455461267 1099232630 /nfs/dbraw/zinc/23/26/30/1099232630.db2.gz BMCUGCVQMQQEGG-UHFFFAOYSA-N 2 2 366.509 4.135 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c(C)[nH+]1 ZINC000455461267 1099232643 /nfs/dbraw/zinc/23/26/43/1099232643.db2.gz BMCUGCVQMQQEGG-UHFFFAOYSA-N 2 2 366.509 4.135 20 0 FIADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000261951933 1099680044 /nfs/dbraw/zinc/68/00/44/1099680044.db2.gz GBVGENAPZRIBPR-QRWLVFNGSA-N 2 2 371.912 4.294 20 0 FIADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000261951933 1099680049 /nfs/dbraw/zinc/68/00/49/1099680049.db2.gz GBVGENAPZRIBPR-QRWLVFNGSA-N 2 2 371.912 4.294 20 0 FIADLP Clc1cnc2oc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cc2c1 ZINC000648586527 1099737336 /nfs/dbraw/zinc/73/73/36/1099737336.db2.gz XEMMSNFAXGUVQG-UHFFFAOYSA-N 2 2 358.873 4.370 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000237479234 1099916633 /nfs/dbraw/zinc/91/66/33/1099916633.db2.gz JGRFLQCGXBFEPU-QGZVFWFLSA-N 2 2 356.485 4.192 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000162624648 1099920493 /nfs/dbraw/zinc/92/04/93/1099920493.db2.gz QESUSVWSTDKSFW-CYFREDJKSA-N 2 2 359.517 4.278 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000162624648 1099920500 /nfs/dbraw/zinc/92/05/00/1099920500.db2.gz QESUSVWSTDKSFW-CYFREDJKSA-N 2 2 359.517 4.278 20 0 FIADLP C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722826 1099943561 /nfs/dbraw/zinc/94/35/61/1099943561.db2.gz USSRHAMHFFVMLT-QUCCMNQESA-N 2 2 350.510 4.004 20 0 FIADLP C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722826 1099943564 /nfs/dbraw/zinc/94/35/64/1099943564.db2.gz USSRHAMHFFVMLT-QUCCMNQESA-N 2 2 350.510 4.004 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437699492 1100110316 /nfs/dbraw/zinc/11/03/16/1100110316.db2.gz IMCRGXRJHLZLSO-SJORKVTESA-N 2 2 358.555 4.225 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437699492 1100110325 /nfs/dbraw/zinc/11/03/25/1100110325.db2.gz IMCRGXRJHLZLSO-SJORKVTESA-N 2 2 358.555 4.225 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437699492 1100110337 /nfs/dbraw/zinc/11/03/37/1100110337.db2.gz IMCRGXRJHLZLSO-SJORKVTESA-N 2 2 358.555 4.225 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437699492 1100110347 /nfs/dbraw/zinc/11/03/47/1100110347.db2.gz IMCRGXRJHLZLSO-SJORKVTESA-N 2 2 358.555 4.225 20 0 FIADLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(OC(F)F)cc1C ZINC000536661129 1100131864 /nfs/dbraw/zinc/13/18/64/1100131864.db2.gz JOOWVWFCVIREGS-GOSISDBHSA-N 2 2 352.469 4.355 20 0 FIADLP Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(OC(F)F)cc1C ZINC000536661129 1100131872 /nfs/dbraw/zinc/13/18/72/1100131872.db2.gz JOOWVWFCVIREGS-GOSISDBHSA-N 2 2 352.469 4.355 20 0 FIADLP Cc1cccc(Oc2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)ccn2)c1C ZINC000459422754 1100154259 /nfs/dbraw/zinc/15/42/59/1100154259.db2.gz JBQFWKOHKWVHOQ-UHFFFAOYSA-N 2 2 351.494 4.207 20 0 FIADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000536698435 1100202896 /nfs/dbraw/zinc/20/28/96/1100202896.db2.gz ZHCXQLUBEJTDBN-FQEVSTJZSA-N 2 2 368.569 4.003 20 0 FIADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000536698435 1100202903 /nfs/dbraw/zinc/20/29/03/1100202903.db2.gz ZHCXQLUBEJTDBN-FQEVSTJZSA-N 2 2 368.569 4.003 20 0 FIADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000536698435 1100202912 /nfs/dbraw/zinc/20/29/12/1100202912.db2.gz ZHCXQLUBEJTDBN-FQEVSTJZSA-N 2 2 368.569 4.003 20 0 FIADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000536698435 1100202921 /nfs/dbraw/zinc/20/29/21/1100202921.db2.gz ZHCXQLUBEJTDBN-FQEVSTJZSA-N 2 2 368.569 4.003 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccccc1Br ZINC000191486009 1100245265 /nfs/dbraw/zinc/24/52/65/1100245265.db2.gz RGDKQIQZCGODEC-UHFFFAOYSA-N 2 2 350.304 4.120 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1Br ZINC000191486009 1100245281 /nfs/dbraw/zinc/24/52/81/1100245281.db2.gz RGDKQIQZCGODEC-UHFFFAOYSA-N 2 2 350.304 4.120 20 0 FIADLP CCOc1cc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)ccc1O ZINC000459548519 1100294409 /nfs/dbraw/zinc/29/44/09/1100294409.db2.gz AUAKNLXUXMHDDZ-SIKLNZKXSA-N 2 2 363.461 4.006 20 0 FIADLP Clc1ccc(Cl)c(-c2csc(C[NH2+][C@@H]3CCC[NH2+]CC3)n2)c1 ZINC000666856398 1100299683 /nfs/dbraw/zinc/29/96/83/1100299683.db2.gz GOJZHRAEAVYKJJ-GFCCVEGCSA-N 2 2 356.322 4.349 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000536834949 1100345930 /nfs/dbraw/zinc/34/59/30/1100345930.db2.gz YUAWAHMAUFSGAA-UYAOXDASSA-N 3 2 354.542 4.199 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000536834949 1100345942 /nfs/dbraw/zinc/34/59/42/1100345942.db2.gz YUAWAHMAUFSGAA-UYAOXDASSA-N 3 2 354.542 4.199 20 0 FIADLP Clc1ccc2c(c1Cl)OC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000536875724 1100396032 /nfs/dbraw/zinc/39/60/32/1100396032.db2.gz JBYAJLKWMOKZGE-HNNXBMFYSA-N 2 2 364.276 4.081 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@@H](c4ccccc4)C3)[nH+]c2)CC1 ZINC000438188360 1100501142 /nfs/dbraw/zinc/50/11/42/1100501142.db2.gz KDGXIHBJUNHSAP-WOJBJXKFSA-N 2 2 364.537 4.360 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CC[C@@H](c4ccccc4)C3)[nH+]c2)CC1 ZINC000438188355 1100501361 /nfs/dbraw/zinc/50/13/61/1100501361.db2.gz KDGXIHBJUNHSAP-UXHICEINSA-N 2 2 364.537 4.360 20 0 FIADLP Clc1cccc([C@@H](Cc2cccnc2)[NH2+]C[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000426027724 1100689103 /nfs/dbraw/zinc/68/91/03/1100689103.db2.gz CBWJHQXUBLOZMN-AZUAARDMSA-N 2 2 366.896 4.383 20 0 FIADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414940908 1100858168 /nfs/dbraw/zinc/85/81/68/1100858168.db2.gz LAZQGQDNFXMZDT-MWTRTKDXSA-N 2 2 358.489 4.327 20 0 FIADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414948150 1100899811 /nfs/dbraw/zinc/89/98/11/1100899811.db2.gz XTYORKVGYCBRFH-HTAPYJJXSA-N 2 2 361.489 4.155 20 0 FIADLP CC1(C)[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)[C@@H]1c1ccccc1 ZINC000459721470 1101345074 /nfs/dbraw/zinc/34/50/74/1101345074.db2.gz WCSLCGFBDLPWAJ-ROUUACIJSA-N 2 2 354.460 4.433 20 0 FIADLP Fc1ccc(C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CCOCC2)cc1 ZINC000426375115 1101411204 /nfs/dbraw/zinc/41/12/04/1101411204.db2.gz ZPAXICNCFKQHEJ-UHFFFAOYSA-N 2 2 371.481 4.254 20 0 FIADLP Fc1ccc(C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CCOCC2)cc1 ZINC000426375115 1101411211 /nfs/dbraw/zinc/41/12/11/1101411211.db2.gz ZPAXICNCFKQHEJ-UHFFFAOYSA-N 2 2 371.481 4.254 20 0 FIADLP Clc1ccc(C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccn2)cc1 ZINC000537096332 1101445031 /nfs/dbraw/zinc/44/50/31/1101445031.db2.gz PVDLHHVFMVOEIY-QFIPXVFZSA-N 2 2 369.940 4.483 20 0 FIADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc1O ZINC000426398295 1101496362 /nfs/dbraw/zinc/49/63/62/1101496362.db2.gz XASFUYQYTSZVIR-GHTZIAJQSA-N 2 2 368.521 4.149 20 0 FIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000518767576 1101526344 /nfs/dbraw/zinc/52/63/44/1101526344.db2.gz JBEGDPJZKVHUCK-INIZCTEOSA-N 2 2 355.869 4.294 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666112541 1101598705 /nfs/dbraw/zinc/59/87/05/1101598705.db2.gz UBYZXNBZHVMNTD-OXQOHEQNSA-N 2 2 369.940 4.408 20 0 FIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537317935 1101649142 /nfs/dbraw/zinc/64/91/42/1101649142.db2.gz JILYMFZGPHSKCA-QFBILLFUSA-N 2 2 363.427 4.273 20 0 FIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537317935 1101649151 /nfs/dbraw/zinc/64/91/51/1101649151.db2.gz JILYMFZGPHSKCA-QFBILLFUSA-N 2 2 363.427 4.273 20 0 FIADLP c1cn(-c2ccc(C[N@H+]3CC=C(c4c[nH]c5ncccc45)CC3)cc2)c[nH+]1 ZINC000506663206 1101716704 /nfs/dbraw/zinc/71/67/04/1101716704.db2.gz QHOBLYYQYCHRCH-UHFFFAOYSA-N 2 2 355.445 4.038 20 0 FIADLP c1cn(-c2ccc(C[N@@H+]3CC=C(c4c[nH]c5ncccc45)CC3)cc2)c[nH+]1 ZINC000506663206 1101716709 /nfs/dbraw/zinc/71/67/09/1101716709.db2.gz QHOBLYYQYCHRCH-UHFFFAOYSA-N 2 2 355.445 4.038 20 0 FIADLP CC[C@@](C)(O)C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000439771223 1101767350 /nfs/dbraw/zinc/76/73/50/1101767350.db2.gz ZPFVYPZFWNEYAZ-HXUWFJFHSA-N 2 2 355.507 4.097 20 0 FIADLP CC[C@@](C)(O)C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000439771223 1101767358 /nfs/dbraw/zinc/76/73/58/1101767358.db2.gz ZPFVYPZFWNEYAZ-HXUWFJFHSA-N 2 2 355.507 4.097 20 0 FIADLP Cn1c[nH+]cc1CC[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000298164023 1101843825 /nfs/dbraw/zinc/84/38/25/1101843825.db2.gz STDKJWUIMWZICX-UHFFFAOYSA-N 2 2 374.410 4.079 20 0 FIADLP Cn1c[nH+]cc1CC[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000298164023 1101843844 /nfs/dbraw/zinc/84/38/44/1101843844.db2.gz STDKJWUIMWZICX-UHFFFAOYSA-N 2 2 374.410 4.079 20 0 FIADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000124655402 1102275590 /nfs/dbraw/zinc/27/55/90/1102275590.db2.gz NTKPWCDLPFYIAK-HNNXBMFYSA-N 2 2 374.326 4.034 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000090667059 1102305085 /nfs/dbraw/zinc/30/50/85/1102305085.db2.gz MYANDXMSZQSXOI-OXJNMPFZSA-N 2 2 353.535 4.434 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000090667061 1102305286 /nfs/dbraw/zinc/30/52/86/1102305286.db2.gz MYANDXMSZQSXOI-JXFKEZNVSA-N 2 2 353.535 4.434 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000090667062 1102305675 /nfs/dbraw/zinc/30/56/75/1102305675.db2.gz MYANDXMSZQSXOI-UZLBHIALSA-N 2 2 353.535 4.434 20 0 FIADLP c1cn(-c2ccccc2-c2noc([C@@H]3CCC[NH2+][C@H]3c3ccccc3)n2)c[nH+]1 ZINC001211849387 1102312826 /nfs/dbraw/zinc/31/28/26/1102312826.db2.gz SESFXDSBMXMHEC-QUCCMNQESA-N 2 2 371.444 4.131 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCS2 ZINC000532448901 1102337871 /nfs/dbraw/zinc/33/78/71/1102337871.db2.gz NZGAEJBWXJIOGQ-OAHLLOKOSA-N 2 2 366.328 4.253 20 0 FIADLP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000532477092 1102417562 /nfs/dbraw/zinc/41/75/62/1102417562.db2.gz VTELYTUUEGWYIV-OAHLLOKOSA-N 2 2 354.281 4.474 20 0 FIADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000303774631 1102561588 /nfs/dbraw/zinc/56/15/88/1102561588.db2.gz RHNIRLLFGFTKTD-YLJYHZDGSA-N 2 2 356.485 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ZINC000664839068 1102742275 /nfs/dbraw/zinc/74/22/75/1102742275.db2.gz XFJSPMSDOXIIFL-JXFKEZNVSA-N 2 2 370.566 4.222 20 0 FIADLP C[C@@H](c1csnn1)[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664839068 1102742287 /nfs/dbraw/zinc/74/22/87/1102742287.db2.gz XFJSPMSDOXIIFL-JXFKEZNVSA-N 2 2 370.566 4.222 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC2CC2)C[C@H]1c1ccccc1 ZINC000551051008 1102864912 /nfs/dbraw/zinc/86/49/12/1102864912.db2.gz MFANXCOBLBXERG-YADHBBJMSA-N 2 2 350.506 4.401 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC2CC2)C[C@H]1c1ccccc1 ZINC000551051008 1102864929 /nfs/dbraw/zinc/86/49/29/1102864929.db2.gz MFANXCOBLBXERG-YADHBBJMSA-N 2 2 350.506 4.401 20 0 FIADLP C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000112345576 1102915027 /nfs/dbraw/zinc/91/50/27/1102915027.db2.gz LPZGGAPSJFJYTQ-AWEZNQCLSA-N 2 2 362.315 4.198 20 0 FIADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(Cl)nc1 ZINC000179132421 1102949142 /nfs/dbraw/zinc/94/91/42/1102949142.db2.gz KSYRVPYVYSLONI-OAHLLOKOSA-N 2 2 358.917 4.121 20 0 FIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cncs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000136169424 1102981902 /nfs/dbraw/zinc/98/19/02/1102981902.db2.gz VZYQBRIXLIIKFZ-YOEHRIQHSA-N 2 2 369.456 4.335 20 0 FIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cncs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000136169424 1102981906 /nfs/dbraw/zinc/98/19/06/1102981906.db2.gz VZYQBRIXLIIKFZ-YOEHRIQHSA-N 2 2 369.456 4.335 20 0 FIADLP C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000551263128 1103021061 /nfs/dbraw/zinc/02/10/61/1103021061.db2.gz MVGSFAICORZPDW-AWEZNQCLSA-N 2 2 360.383 4.179 20 0 FIADLP CC[N@H+](Cc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532733595 1103141501 /nfs/dbraw/zinc/14/15/01/1103141501.db2.gz SORVVRKYNJEQPZ-UHFFFAOYSA-N 2 2 352.526 4.399 20 0 FIADLP CC[N@@H+](Cc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532733595 1103141521 /nfs/dbraw/zinc/14/15/21/1103141521.db2.gz SORVVRKYNJEQPZ-UHFFFAOYSA-N 2 2 352.526 4.399 20 0 FIADLP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000551540956 1103320656 /nfs/dbraw/zinc/32/06/56/1103320656.db2.gz IFFUVCRRBCPNIE-FCHUYYIVSA-N 2 2 361.489 4.267 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC000507448076 1103396390 /nfs/dbraw/zinc/39/63/90/1103396390.db2.gz YTFNTBRRWKLHJR-UHFFFAOYSA-N 2 2 369.475 4.183 20 0 FIADLP Fc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccc(Cl)cc2)cc1 ZINC000519615914 1103626839 /nfs/dbraw/zinc/62/68/39/1103626839.db2.gz SZAGQXBGFCXSDT-FXAWDEMLSA-N 2 2 355.844 4.439 20 0 FIADLP COC(=O)c1coc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000519787717 1103872560 /nfs/dbraw/zinc/87/25/60/1103872560.db2.gz CXVQTGGHIQGYMU-IEBWSBKVSA-N 2 2 370.493 4.019 20 0 FIADLP COC(=O)c1coc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000519787717 1103872568 /nfs/dbraw/zinc/87/25/68/1103872568.db2.gz CXVQTGGHIQGYMU-IEBWSBKVSA-N 2 2 370.493 4.019 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000537763523 1103920903 /nfs/dbraw/zinc/92/09/03/1103920903.db2.gz KMWNGHONKAJAPZ-PGRDOPGGSA-N 2 2 367.512 4.044 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000537763523 1103920912 /nfs/dbraw/zinc/92/09/12/1103920912.db2.gz KMWNGHONKAJAPZ-PGRDOPGGSA-N 2 2 367.512 4.044 20 0 FIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cncc(C)c1 ZINC000189952935 1104862258 /nfs/dbraw/zinc/86/22/58/1104862258.db2.gz IXHDEEYOCQYEBF-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cncc(C)c1 ZINC000189952935 1104862264 /nfs/dbraw/zinc/86/22/64/1104862264.db2.gz IXHDEEYOCQYEBF-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP COc1ccc(OC)c(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168005047 1105064631 /nfs/dbraw/zinc/06/46/31/1105064631.db2.gz FEVKKSJKBWYGBI-ROUUACIJSA-N 2 2 368.521 4.235 20 0 FIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427843748 1105293055 /nfs/dbraw/zinc/29/30/55/1105293055.db2.gz MYFRWTHNVPDMIX-WMLDXEAASA-N 2 2 352.507 4.289 20 0 FIADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(OCCC)c1 ZINC000427852782 1105296024 /nfs/dbraw/zinc/29/60/24/1105296024.db2.gz MYVLPHRQWVCAFR-IAGOWNOFSA-N 2 2 357.498 4.126 20 0 FIADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc2ccccc2c1OC(F)F ZINC000427869520 1105305088 /nfs/dbraw/zinc/30/50/88/1105305088.db2.gz SOTXXTKLPLGRKD-ZFWWWQNUSA-N 2 2 357.404 4.303 20 0 FIADLP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CCn4cc[nH+]c4C2)CCC3)cc1 ZINC000427899690 1105307636 /nfs/dbraw/zinc/30/76/36/1105307636.db2.gz XBRWIWSXOFZRPB-DLBZAZTESA-N 2 2 364.518 4.297 20 0 FIADLP COC(=O)c1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168010916 1105342939 /nfs/dbraw/zinc/34/29/39/1105342939.db2.gz LHBIJFDSVRWPMU-RMFSNUHRSA-N 2 2 366.505 4.004 20 0 FIADLP COC(=O)c1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168010916 1105342944 /nfs/dbraw/zinc/34/29/44/1105342944.db2.gz LHBIJFDSVRWPMU-RMFSNUHRSA-N 2 2 366.505 4.004 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000475351729 1106742082 /nfs/dbraw/zinc/74/20/82/1106742082.db2.gz AVTIMELVHMTOBU-JYPHPWERSA-N 2 2 352.444 4.185 20 0 FIADLP Fc1cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccc1Cl ZINC000475347117 1106746831 /nfs/dbraw/zinc/74/68/31/1106746831.db2.gz JSDGZCOMRCPQCJ-UHFFFAOYSA-N 2 2 364.814 4.374 20 0 FIADLP CC(C)c1nnc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000451062604 1106913138 /nfs/dbraw/zinc/91/31/38/1106913138.db2.gz DRBQUUSRARLMHA-UHFFFAOYSA-N 2 2 370.566 4.150 20 0 FIADLP CC(C)c1nnc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000451062604 1106913140 /nfs/dbraw/zinc/91/31/40/1106913140.db2.gz DRBQUUSRARLMHA-UHFFFAOYSA-N 2 2 370.566 4.150 20 0 FIADLP CC1(C)C[C@@H]([NH2+]CCCCn2cc[nH+]c2)c2cc(Br)ccc21 ZINC000530321685 1106964627 /nfs/dbraw/zinc/96/46/27/1106964627.db2.gz IERARYQHJJJEBW-QGZVFWFLSA-N 2 2 362.315 4.438 20 0 FIADLP Cc1nc(C[NH+]2CCC(CNc3cc[nH+]c4ccsc43)CC2)oc1C ZINC000301363741 1107004483 /nfs/dbraw/zinc/00/44/83/1107004483.db2.gz PFBOKQISFNWKKH-UHFFFAOYSA-N 2 2 356.495 4.225 20 0 FIADLP Cc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)c2cc(F)ccc2[nH+]1 ZINC000301666833 1107103746 /nfs/dbraw/zinc/10/37/46/1107103746.db2.gz MCNAPMYQYRBFBS-UHFFFAOYSA-N 2 2 365.452 4.127 20 0 FIADLP FC(F)(F)c1ccc2c(N[C@@H]3CCN(c4cccc[nH+]4)C3)cc[nH+]c2c1 ZINC000301766426 1107143372 /nfs/dbraw/zinc/14/33/72/1107143372.db2.gz HKZVICGEZVFXCQ-CQSZACIVSA-N 2 2 358.367 4.339 20 0 FIADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1cnc(-c3ccsc3)s1)C2 ZINC000531001734 1107449257 /nfs/dbraw/zinc/44/92/57/1107449257.db2.gz SJUQDOXVAIAZDA-CQSZACIVSA-N 2 2 372.563 4.470 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1)CCC2 ZINC000531731984 1108101512 /nfs/dbraw/zinc/10/15/12/1108101512.db2.gz LLKXKBQZJOJGGJ-LPHOPBHVSA-N 2 2 368.525 4.199 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C)CCC2 ZINC000531733117 1108103517 /nfs/dbraw/zinc/10/35/17/1108103517.db2.gz LABYILYDZXOXJC-GOEBONIOSA-N 2 2 374.916 4.038 20 0 FIADLP Clc1ccccc1C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000453205877 1108276395 /nfs/dbraw/zinc/27/63/95/1108276395.db2.gz TXUNXMNLIDVGLG-FUHWJXTLSA-N 2 2 357.910 4.486 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000453222721 1108295016 /nfs/dbraw/zinc/29/50/16/1108295016.db2.gz ANSUHQHMVOZXEN-XGRCMKMKSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000453222721 1108295033 /nfs/dbraw/zinc/29/50/33/1108295033.db2.gz ANSUHQHMVOZXEN-XGRCMKMKSA-N 2 2 353.485 4.098 20 0 FIADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000453235415 1108308733 /nfs/dbraw/zinc/30/87/33/1108308733.db2.gz LMJRJCDPBNWLLL-JKSUJKDBSA-N 2 2 369.900 4.075 20 0 FIADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000453235413 1108309318 /nfs/dbraw/zinc/30/93/18/1108309318.db2.gz LMJRJCDPBNWLLL-HZPDHXFCSA-N 2 2 369.900 4.075 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000453250746 1108323136 /nfs/dbraw/zinc/32/31/36/1108323136.db2.gz YXNSIOYEABEDOD-RXYZOABWSA-N 2 2 371.475 4.237 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000453250746 1108323151 /nfs/dbraw/zinc/32/31/51/1108323151.db2.gz YXNSIOYEABEDOD-RXYZOABWSA-N 2 2 371.475 4.237 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000453250736 1108323180 /nfs/dbraw/zinc/32/31/80/1108323180.db2.gz YXNSIOYEABEDOD-ARBPTSGCSA-N 2 2 371.475 4.237 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000453250736 1108323192 /nfs/dbraw/zinc/32/31/92/1108323192.db2.gz YXNSIOYEABEDOD-ARBPTSGCSA-N 2 2 371.475 4.237 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)c1ccccc1 ZINC000453327846 1108384318 /nfs/dbraw/zinc/38/43/18/1108384318.db2.gz OYQDDTDQKUNLIY-QHCPKHFHSA-N 2 2 365.521 4.350 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](CCC(C)C)C3CC3)CC2)cc1 ZINC000453330329 1108387206 /nfs/dbraw/zinc/38/72/06/1108387206.db2.gz SHZJHMZLFXFGBF-HSZRJFAPSA-N 2 2 371.569 4.414 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC[C@@H]3C(C)C)CC2)cc1 ZINC000453333302 1108424584 /nfs/dbraw/zinc/42/45/84/1108424584.db2.gz VSHFXECJEOQHMP-PKTZIBPZSA-N 2 2 371.569 4.414 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1sccc1Br)CCC2 ZINC000531988243 1108470841 /nfs/dbraw/zinc/47/08/41/1108470841.db2.gz QGAQIHGHWUROIM-RYUDHWBXSA-N 2 2 354.317 4.244 20 0 FIADLP Cc1cc(Br)c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)s1 ZINC000453562973 1108601614 /nfs/dbraw/zinc/60/16/14/1108601614.db2.gz CQUXUBNGJFQODH-UHFFFAOYSA-N 2 2 357.361 4.316 20 0 FIADLP Cc1cc(Br)c(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)s1 ZINC000453577167 1108639228 /nfs/dbraw/zinc/63/92/28/1108639228.db2.gz WVKOVZNONXFITD-UHFFFAOYSA-N 2 2 371.319 4.310 20 0 FIADLP CCCCOc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1OCC ZINC000525182825 1109293674 /nfs/dbraw/zinc/29/36/74/1109293674.db2.gz LSOUFTSQWFGUQY-IBGZPJMESA-N 2 2 371.525 4.436 20 0 FIADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000525267410 1109325107 /nfs/dbraw/zinc/32/51/07/1109325107.db2.gz NUKXIIGCCXJROT-RDJZCZTQSA-N 2 2 370.368 4.155 20 0 FIADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000525267410 1109325111 /nfs/dbraw/zinc/32/51/11/1109325111.db2.gz NUKXIIGCCXJROT-RDJZCZTQSA-N 2 2 370.368 4.155 20 0 FIADLP CC(C)[C@H](COCc1ccccc1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000446745916 1109327141 /nfs/dbraw/zinc/32/71/41/1109327141.db2.gz VIUOHUBLKUFMMQ-QHCPKHFHSA-N 2 2 363.505 4.262 20 0 FIADLP c1csc([C@@H]2CCC[NH+]2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000429704931 1109449829 /nfs/dbraw/zinc/44/98/29/1109449829.db2.gz BXHFQUSCRBXNGD-UXHICEINSA-N 2 2 356.535 4.176 20 0 FIADLP c1csc([C@@H]2CCC[NH+]2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000429704931 1109449832 /nfs/dbraw/zinc/44/98/32/1109449832.db2.gz BXHFQUSCRBXNGD-UXHICEINSA-N 2 2 356.535 4.176 20 0 FIADLP c1csc([C@@H]2CCC[N@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000429704931 1109449837 /nfs/dbraw/zinc/44/98/37/1109449837.db2.gz BXHFQUSCRBXNGD-UXHICEINSA-N 2 2 356.535 4.176 20 0 FIADLP c1csc([C@@H]2CCC[N@@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000429704931 1109449840 /nfs/dbraw/zinc/44/98/40/1109449840.db2.gz BXHFQUSCRBXNGD-UXHICEINSA-N 2 2 356.535 4.176 20 0 FIADLP CSc1ccc(OCC[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000429708762 1109450772 /nfs/dbraw/zinc/45/07/72/1109450772.db2.gz NTRVBDQRSXZRAS-UHFFFAOYSA-N 2 2 358.507 4.034 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000429725541 1109607255 /nfs/dbraw/zinc/60/72/55/1109607255.db2.gz SMNKOYLYHRPPCW-UHFFFAOYSA-N 2 2 350.384 4.452 20 0 FIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)[C@@H](C)C1 ZINC000448021234 1109694893 /nfs/dbraw/zinc/69/48/93/1109694893.db2.gz HKYOVPLMNINBJH-UWJYYQICSA-N 2 2 374.500 4.312 20 0 FIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)[C@@H](C)C1 ZINC000448021234 1109694896 /nfs/dbraw/zinc/69/48/96/1109694896.db2.gz HKYOVPLMNINBJH-UWJYYQICSA-N 2 2 374.500 4.312 20 0 FIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccnc(C)c1 ZINC000527538036 1109778406 /nfs/dbraw/zinc/77/84/06/1109778406.db2.gz HFQTVXFHJLMPLV-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccnc(C)c1 ZINC000527538036 1109778411 /nfs/dbraw/zinc/77/84/11/1109778411.db2.gz HFQTVXFHJLMPLV-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527898899 1109853910 /nfs/dbraw/zinc/85/39/10/1109853910.db2.gz WWOMRTVWVFANDG-TZIWHRDSSA-N 2 2 374.532 4.260 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527898899 1109853916 /nfs/dbraw/zinc/85/39/16/1109853916.db2.gz WWOMRTVWVFANDG-TZIWHRDSSA-N 2 2 374.532 4.260 20 0 FIADLP Fc1cccc(F)c1-c1ncc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000449028611 1109959368 /nfs/dbraw/zinc/95/93/68/1109959368.db2.gz LYCVGKLPUXBSLO-CQSZACIVSA-N 2 2 363.477 4.006 20 0 FIADLP Fc1cccc(F)c1-c1ncc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000449028611 1109959371 /nfs/dbraw/zinc/95/93/71/1109959371.db2.gz LYCVGKLPUXBSLO-CQSZACIVSA-N 2 2 363.477 4.006 20 0 FIADLP Fc1cccc(F)c1-c1ncc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000449028610 1109959596 /nfs/dbraw/zinc/95/95/96/1109959596.db2.gz LYCVGKLPUXBSLO-AWEZNQCLSA-N 2 2 363.477 4.006 20 0 FIADLP Fc1cccc(F)c1-c1ncc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000449028610 1109959599 /nfs/dbraw/zinc/95/95/99/1109959599.db2.gz LYCVGKLPUXBSLO-AWEZNQCLSA-N 2 2 363.477 4.006 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(CCc3ccccc3)s2)C[C@H]1C ZINC000449029995 1109960200 /nfs/dbraw/zinc/96/02/00/1109960200.db2.gz QGNMZMUOJHHIKG-IEBWSBKVSA-N 2 2 357.567 4.233 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(CCc3ccccc3)s2)C[C@H]1C ZINC000449029995 1109960201 /nfs/dbraw/zinc/96/02/01/1109960201.db2.gz QGNMZMUOJHHIKG-IEBWSBKVSA-N 2 2 357.567 4.233 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(CCc3ccccc3)s2)C[C@H]1C ZINC000449029995 1109960205 /nfs/dbraw/zinc/96/02/05/1109960205.db2.gz QGNMZMUOJHHIKG-IEBWSBKVSA-N 2 2 357.567 4.233 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(CCc3ccccc3)s2)C[C@H]1C ZINC000449029995 1109960206 /nfs/dbraw/zinc/96/02/06/1109960206.db2.gz QGNMZMUOJHHIKG-IEBWSBKVSA-N 2 2 357.567 4.233 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449031983 1109960231 /nfs/dbraw/zinc/96/02/31/1109960231.db2.gz WFEXVJYUXTUFKN-AWEZNQCLSA-N 2 2 365.493 4.252 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449031983 1109960233 /nfs/dbraw/zinc/96/02/33/1109960233.db2.gz WFEXVJYUXTUFKN-AWEZNQCLSA-N 2 2 365.493 4.252 20 0 FIADLP Cc1ccc2sc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)nc2c1 ZINC000528438708 1109993893 /nfs/dbraw/zinc/99/38/93/1109993893.db2.gz AMMCXYBDMXMXMP-UHFFFAOYSA-N 2 2 354.523 4.494 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)c1c(C)noc1C ZINC000449217387 1109999271 /nfs/dbraw/zinc/99/92/71/1109999271.db2.gz YVOSTITVVDSQAN-IIBYNOLFSA-N 2 2 355.526 4.428 20 0 FIADLP COCC[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1ccco1 ZINC000449229888 1110003056 /nfs/dbraw/zinc/00/30/56/1110003056.db2.gz FTXWZGUJXFTFOP-RXVVDRJESA-N 2 2 356.510 4.042 20 0 FIADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)n2)CC1 ZINC000449402836 1110058165 /nfs/dbraw/zinc/05/81/65/1110058165.db2.gz SXAVVSBVBIEDSO-WMLDXEAASA-N 2 2 355.448 4.233 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)CC3CCCC3)CC2)cc1 ZINC000449525216 1110099379 /nfs/dbraw/zinc/09/93/79/1110099379.db2.gz QTLIUWMGLWHLOF-QGZVFWFLSA-N 2 2 357.542 4.168 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C)[C@H](C)C3)CC2)cc1 ZINC000449526679 1110099564 /nfs/dbraw/zinc/09/95/64/1110099564.db2.gz XIJOZXZAFUUPLQ-DRSNIGMVSA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000449527134 1110099836 /nfs/dbraw/zinc/09/98/36/1110099836.db2.gz ZSOPYHAMUJHZEL-DRSNIGMVSA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H](C)[C@@H](C)C3)CC2)cc1 ZINC000449526682 1110100187 /nfs/dbraw/zinc/10/01/87/1110100187.db2.gz XIJOZXZAFUUPLQ-PNLZDCPESA-N 2 2 357.542 4.024 20 0 FIADLP CCOc1cccc2cc([C@@H](C)[NH2+]CCc3cn4c([nH+]3)CCCC4)oc21 ZINC000538398911 1111115257 /nfs/dbraw/zinc/11/52/57/1111115257.db2.gz UIWMDCAWNZUOBN-OAHLLOKOSA-N 2 2 353.466 4.258 20 0 FIADLP COc1ccc(Cl)cc1[C@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000538558365 1111193577 /nfs/dbraw/zinc/19/35/77/1111193577.db2.gz AIJHFYVIMIEFBJ-YOEHRIQHSA-N 2 2 374.916 4.057 20 0 FIADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cnc2ccsc2c1 ZINC000538559687 1111193965 /nfs/dbraw/zinc/19/39/65/1111193965.db2.gz IYTKJCCEWFQTBU-PBHICJAKSA-N 2 2 367.522 4.005 20 0 FIADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cc2c(s1)CCC2 ZINC000538589236 1111211278 /nfs/dbraw/zinc/21/12/78/1111211278.db2.gz GRDSPDTZHKUJEO-OAHLLOKOSA-N 2 2 370.566 4.335 20 0 FIADLP COCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000539068312 1111417309 /nfs/dbraw/zinc/41/73/09/1111417309.db2.gz PIYMZHIBOSGGBY-NRFANRHFSA-N 2 2 358.913 4.130 20 0 FIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnccc2C)cc1 ZINC000539220083 1111480254 /nfs/dbraw/zinc/48/02/54/1111480254.db2.gz ZLOIPGSYFYANNX-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnccc2C)cc1 ZINC000539220083 1111480258 /nfs/dbraw/zinc/48/02/58/1111480258.db2.gz ZLOIPGSYFYANNX-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1ncc[nH]1 ZINC000552046350 1111556813 /nfs/dbraw/zinc/55/68/13/1111556813.db2.gz FOHNEJOTKUFRIO-QGZVFWFLSA-N 2 2 357.461 4.172 20 0 FIADLP Fc1cccnc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552056508 1111560014 /nfs/dbraw/zinc/56/00/14/1111560014.db2.gz GCRFVSUNHJBTGW-IRFCIJBXSA-N 2 2 353.485 4.001 20 0 FIADLP Fc1cccnc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552056508 1111560018 /nfs/dbraw/zinc/56/00/18/1111560018.db2.gz GCRFVSUNHJBTGW-IRFCIJBXSA-N 2 2 353.485 4.001 20 0 FIADLP Brc1ccsc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000552903411 1111849323 /nfs/dbraw/zinc/84/93/23/1111849323.db2.gz RGQMLWQQGRDSMW-UHFFFAOYSA-N 2 2 357.361 4.397 20 0 FIADLP Fc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc1Br ZINC000553238762 1111930710 /nfs/dbraw/zinc/93/07/10/1111930710.db2.gz WESRGICYBYGXGH-UHFFFAOYSA-N 2 2 374.257 4.123 20 0 FIADLP CN(c1cc[nH+]c2c(Br)cccc12)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000553294272 1111942483 /nfs/dbraw/zinc/94/24/83/1111942483.db2.gz IWXYQQTUVPPLBI-PBWFPOADSA-N 2 2 360.299 4.059 20 0 FIADLP CN(c1cc[nH+]c2c(Br)cccc12)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000553294272 1111942486 /nfs/dbraw/zinc/94/24/86/1111942486.db2.gz IWXYQQTUVPPLBI-PBWFPOADSA-N 2 2 360.299 4.059 20 0 FIADLP COc1ccc(C[N@H+](CCCn2cc[nH+]c2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000553315318 1111946971 /nfs/dbraw/zinc/94/69/71/1111946971.db2.gz YXNYBTJGACIDQT-UYAOXDASSA-N 2 2 371.525 4.371 20 0 FIADLP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000553315318 1111946972 /nfs/dbraw/zinc/94/69/72/1111946972.db2.gz YXNYBTJGACIDQT-UYAOXDASSA-N 2 2 371.525 4.371 20 0 FIADLP Clc1ccc2c(c1)[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CC2 ZINC000479244373 1111973096 /nfs/dbraw/zinc/97/30/96/1111973096.db2.gz BCYOXZYWACCAKQ-HXUWFJFHSA-N 2 2 351.881 4.404 20 0 FIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(Br)s1 ZINC000162848803 1111981462 /nfs/dbraw/zinc/98/14/62/1111981462.db2.gz WQNDKFGFBNMLSC-GFCCVEGCSA-N 2 2 354.317 4.449 20 0 FIADLP CCO[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C12CCCC2 ZINC000479484454 1112040683 /nfs/dbraw/zinc/04/06/83/1112040683.db2.gz QZVZUBIMFLTODF-OPQOLIRYSA-N 2 2 374.491 4.119 20 0 FIADLP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CCC2 ZINC000479528646 1112053515 /nfs/dbraw/zinc/05/35/15/1112053515.db2.gz QCAWJALHVCMEAU-JMLCCBQJSA-N 2 2 353.432 4.084 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000479537268 1112061601 /nfs/dbraw/zinc/06/16/01/1112061601.db2.gz GUWLQQVNUPXZTQ-LVOPCWDJSA-N 2 2 369.940 4.481 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000479537268 1112061606 /nfs/dbraw/zinc/06/16/06/1112061606.db2.gz GUWLQQVNUPXZTQ-LVOPCWDJSA-N 2 2 369.940 4.481 20 0 FIADLP Cc1cc2[nH]c(C[NH2+]CCc3[nH+]ccn3Cc3ccccc3)cc2c(C)c1 ZINC000479558241 1112071612 /nfs/dbraw/zinc/07/16/12/1112071612.db2.gz NCKWSGUQJXVQCH-UHFFFAOYSA-N 2 2 358.489 4.362 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+](C)Cc1ccccc1 ZINC000480148053 1112302209 /nfs/dbraw/zinc/30/22/09/1112302209.db2.gz PQIWXWQFOQNZJG-XUZZJYLKSA-N 3 2 365.565 4.009 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+](C)Cc1ccccc1 ZINC000480148053 1112302213 /nfs/dbraw/zinc/30/22/13/1112302213.db2.gz PQIWXWQFOQNZJG-XUZZJYLKSA-N 3 2 365.565 4.009 20 0 FIADLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000480148053 1112302218 /nfs/dbraw/zinc/30/22/18/1112302218.db2.gz PQIWXWQFOQNZJG-XUZZJYLKSA-N 3 2 365.565 4.009 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+](C)Cc1ccccc1 ZINC000480148055 1112302587 /nfs/dbraw/zinc/30/25/87/1112302587.db2.gz PQIWXWQFOQNZJG-ZJSXRUAMSA-N 3 2 365.565 4.009 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+](C)Cc1ccccc1 ZINC000480148055 1112302596 /nfs/dbraw/zinc/30/25/96/1112302596.db2.gz PQIWXWQFOQNZJG-ZJSXRUAMSA-N 3 2 365.565 4.009 20 0 FIADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000480148055 1112302602 /nfs/dbraw/zinc/30/26/02/1112302602.db2.gz PQIWXWQFOQNZJG-ZJSXRUAMSA-N 3 2 365.565 4.009 20 0 FIADLP Cc1nn(C)c2sc([C@H](C)[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)cc12 ZINC000554346971 1112309033 /nfs/dbraw/zinc/30/90/33/1112309033.db2.gz LSEAVEQYSLQQPT-HNNXBMFYSA-N 2 2 365.506 4.039 20 0 FIADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480523518 1112456803 /nfs/dbraw/zinc/45/68/03/1112456803.db2.gz IFRVVADNNTUKMM-QFIPXVFZSA-N 2 2 365.496 4.470 20 0 FIADLP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480610036 1112500587 /nfs/dbraw/zinc/50/05/87/1112500587.db2.gz NFSXGSVCKLNXTF-VAMGGRTRSA-N 3 2 354.542 4.281 20 0 FIADLP c1c(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)[nH]nc1-c1ccccc1 ZINC000554873173 1112539567 /nfs/dbraw/zinc/53/95/67/1112539567.db2.gz TXLFNPNVBCRKEH-DEOSSOPVSA-N 2 2 372.516 4.175 20 0 FIADLP c1c(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)[nH]nc1-c1ccccc1 ZINC000554873173 1112539569 /nfs/dbraw/zinc/53/95/69/1112539569.db2.gz TXLFNPNVBCRKEH-DEOSSOPVSA-N 2 2 372.516 4.175 20 0 FIADLP c1c(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH]nc1-c1ccccc1 ZINC000554873173 1112539571 /nfs/dbraw/zinc/53/95/71/1112539571.db2.gz TXLFNPNVBCRKEH-DEOSSOPVSA-N 2 2 372.516 4.175 20 0 FIADLP c1c(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[nH]nc1-c1ccccc1 ZINC000554873173 1112539574 /nfs/dbraw/zinc/53/95/74/1112539574.db2.gz TXLFNPNVBCRKEH-DEOSSOPVSA-N 2 2 372.516 4.175 20 0 FIADLP FC(F)(F)c1cccnc1[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001168364316 1112591175 /nfs/dbraw/zinc/59/11/75/1112591175.db2.gz BFVONYHHFJZGQB-QGZVFWFLSA-N 2 2 353.432 4.016 20 0 FIADLP COc1ccc(-c2ccncc2)cc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000481980254 1113147076 /nfs/dbraw/zinc/14/70/76/1113147076.db2.gz KLNLBJINGVOVSN-NRFANRHFSA-N 2 2 353.510 4.063 20 0 FIADLP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000481980254 1113147078 /nfs/dbraw/zinc/14/70/78/1113147078.db2.gz KLNLBJINGVOVSN-NRFANRHFSA-N 2 2 353.510 4.063 20 0 FIADLP COc1ccc(-c2ccncc2)cc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000481980254 1113147080 /nfs/dbraw/zinc/14/70/80/1113147080.db2.gz KLNLBJINGVOVSN-NRFANRHFSA-N 2 2 353.510 4.063 20 0 FIADLP COc1ccc(-c2ccncc2)cc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000481980254 1113147081 /nfs/dbraw/zinc/14/70/81/1113147081.db2.gz KLNLBJINGVOVSN-NRFANRHFSA-N 2 2 353.510 4.063 20 0 FIADLP CC1(C)CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cc(Br)ccc21 ZINC000482001138 1113148335 /nfs/dbraw/zinc/14/83/35/1113148335.db2.gz LZHXLLUIWFBOKI-YOEHRIQHSA-N 2 2 374.326 4.363 20 0 FIADLP Brc1ccc2c(c1)CC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000482258108 1113208271 /nfs/dbraw/zinc/20/82/71/1113208271.db2.gz FHUIGTBATLQPMS-QGZVFWFLSA-N 2 2 360.299 4.313 20 0 FIADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2Br)C1 ZINC000482364583 1113233003 /nfs/dbraw/zinc/23/30/03/1113233003.db2.gz YVFONDWUSDEQSE-KBPBESRZSA-N 2 2 357.311 4.359 20 0 FIADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2Br)C1 ZINC000482364583 1113233006 /nfs/dbraw/zinc/23/30/06/1113233006.db2.gz YVFONDWUSDEQSE-KBPBESRZSA-N 2 2 357.311 4.359 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000482895582 1113393972 /nfs/dbraw/zinc/39/39/72/1113393972.db2.gz YKEVLPFYVWOUTL-NZQKXSOJSA-N 2 2 373.585 4.401 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000482895582 1113393973 /nfs/dbraw/zinc/39/39/73/1113393973.db2.gz YKEVLPFYVWOUTL-NZQKXSOJSA-N 2 2 373.585 4.401 20 0 FIADLP C[NH+]1CCC([N@H+](Cc2cc3ccncc3s2)Cc2ccccc2)CC1 ZINC000668171186 1113403033 /nfs/dbraw/zinc/40/30/33/1113403033.db2.gz GQLNZMFUKTWAQG-UHFFFAOYSA-N 2 2 351.519 4.393 20 0 FIADLP C[NH+]1CCC([N@@H+](Cc2cc3ccncc3s2)Cc2ccccc2)CC1 ZINC000668171186 1113403038 /nfs/dbraw/zinc/40/30/38/1113403038.db2.gz GQLNZMFUKTWAQG-UHFFFAOYSA-N 2 2 351.519 4.393 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000482963766 1113410527 /nfs/dbraw/zinc/41/05/27/1113410527.db2.gz QDQBYDUCWCEVIZ-AWEZNQCLSA-N 2 2 371.282 4.189 20 0 FIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000483130337 1113449170 /nfs/dbraw/zinc/44/91/70/1113449170.db2.gz NSLWNNISZUWJTM-DOXZYTNZSA-N 2 2 356.913 4.267 20 0 FIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000483130337 1113449176 /nfs/dbraw/zinc/44/91/76/1113449176.db2.gz NSLWNNISZUWJTM-DOXZYTNZSA-N 2 2 356.913 4.267 20 0 FIADLP COc1cc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)ccc1SC ZINC000483144252 1113453197 /nfs/dbraw/zinc/45/31/97/1113453197.db2.gz BNRVGDGJRAZCDM-HNNXBMFYSA-N 2 2 353.491 4.454 20 0 FIADLP CCN(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000483266519 1113476394 /nfs/dbraw/zinc/47/63/94/1113476394.db2.gz ASBNESYZLLLVKZ-SIKLNZKXSA-N 2 2 366.553 4.023 20 0 FIADLP CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000483266519 1113476397 /nfs/dbraw/zinc/47/63/97/1113476397.db2.gz ASBNESYZLLLVKZ-SIKLNZKXSA-N 2 2 366.553 4.023 20 0 FIADLP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000483266519 1113476399 /nfs/dbraw/zinc/47/63/99/1113476399.db2.gz ASBNESYZLLLVKZ-SIKLNZKXSA-N 2 2 366.553 4.023 20 0 FIADLP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000483266519 1113476403 /nfs/dbraw/zinc/47/64/03/1113476403.db2.gz ASBNESYZLLLVKZ-SIKLNZKXSA-N 2 2 366.553 4.023 20 0 FIADLP C[C@H]([NH2+]Cc1csc(-c2ccco2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486514875 1113585408 /nfs/dbraw/zinc/58/54/08/1113585408.db2.gz FKAZJYGKBUNHNM-FUHWJXTLSA-N 2 2 367.518 4.403 20 0 FIADLP C[C@H]([NH2+]Cc1csc(-c2ccco2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486514875 1113585412 /nfs/dbraw/zinc/58/54/12/1113585412.db2.gz FKAZJYGKBUNHNM-FUHWJXTLSA-N 2 2 367.518 4.403 20 0 FIADLP CC[N@H+](C[C@@H]1CCO[C@@H](C)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000490355343 1114277852 /nfs/dbraw/zinc/27/78/52/1114277852.db2.gz PRQXBKGSPHODMT-RBUKOAKNSA-N 2 2 374.573 4.014 20 0 FIADLP CC[N@@H+](C[C@@H]1CCO[C@@H](C)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000490355343 1114277857 /nfs/dbraw/zinc/27/78/57/1114277857.db2.gz PRQXBKGSPHODMT-RBUKOAKNSA-N 2 2 374.573 4.014 20 0 FIADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490958170 1114358352 /nfs/dbraw/zinc/35/83/52/1114358352.db2.gz GZJMUHGTPJXPJX-VCBZYWHSSA-N 2 2 370.368 4.012 20 0 FIADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490958170 1114358357 /nfs/dbraw/zinc/35/83/57/1114358357.db2.gz GZJMUHGTPJXPJX-VCBZYWHSSA-N 2 2 370.368 4.012 20 0 FIADLP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490958167 1114358522 /nfs/dbraw/zinc/35/85/22/1114358522.db2.gz GZJMUHGTPJXPJX-CLCXKQKWSA-N 2 2 370.368 4.012 20 0 FIADLP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490958167 1114358524 /nfs/dbraw/zinc/35/85/24/1114358524.db2.gz GZJMUHGTPJXPJX-CLCXKQKWSA-N 2 2 370.368 4.012 20 0 FIADLP COC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000572319217 1114628795 /nfs/dbraw/zinc/62/87/95/1114628795.db2.gz LLEVMIINYOZGLB-FQEVSTJZSA-N 2 2 350.934 4.414 20 0 FIADLP COC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000572319218 1114628978 /nfs/dbraw/zinc/62/89/78/1114628978.db2.gz LLEVMIINYOZGLB-HXUWFJFHSA-N 2 2 350.934 4.414 20 0 FIADLP CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000593691444 1115343095 /nfs/dbraw/zinc/34/30/95/1115343095.db2.gz PUZIJOCWSUYTGK-RTWAWAEBSA-N 2 2 370.537 4.021 20 0 FIADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1OCCC ZINC000575031701 1115530490 /nfs/dbraw/zinc/53/04/90/1115530490.db2.gz UVNUHHOHPJHDMK-DOTOQJQBSA-N 2 2 357.498 4.195 20 0 FIADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000669615385 1115667754 /nfs/dbraw/zinc/66/77/54/1115667754.db2.gz RCIJBMGVZGOTTJ-LEWJYISDSA-N 2 2 361.489 4.380 20 0 FIADLP CC(C)[NH2+][C@H]1CCCN(c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000669650879 1115719402 /nfs/dbraw/zinc/71/94/02/1115719402.db2.gz PKTHQIDDFMMOTA-LBPRGKRZSA-N 2 2 366.278 4.103 20 0 FIADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168415659 1115826434 /nfs/dbraw/zinc/82/64/34/1115826434.db2.gz RIFRSTMBCCVGKQ-QHCPKHFHSA-N 2 2 370.487 4.385 20 0 FIADLP C[C@@H](C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)Cn1cc[nH+]c1 ZINC000062254424 1115908023 /nfs/dbraw/zinc/90/80/23/1115908023.db2.gz PWJVQFVZBIODGU-AWEZNQCLSA-N 2 2 352.463 4.179 20 0 FIADLP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000062254646 1115908045 /nfs/dbraw/zinc/90/80/45/1115908045.db2.gz ZRSCLHKBALLBOI-HXUWFJFHSA-N 2 2 362.521 4.336 20 0 FIADLP C[C@H]([NH2+]C1(C[NH2+]Cc2ccc3c(c2)OCCO3)CCCC1)c1ccccc1 ZINC000606914711 1115983060 /nfs/dbraw/zinc/98/30/60/1115983060.db2.gz VXWMVXFVQRWUQQ-SFHVURJKSA-N 2 2 366.505 4.211 20 0 FIADLP Cc1cc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc(C2CC2)[nH+]1 ZINC000534244611 1116175546 /nfs/dbraw/zinc/17/55/46/1116175546.db2.gz ISRYSXVGSMUTTP-UHFFFAOYSA-N 2 2 362.521 4.155 20 0 FIADLP Cc1cc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc(C2CC2)[nH+]1 ZINC000534244611 1116175548 /nfs/dbraw/zinc/17/55/48/1116175548.db2.gz ISRYSXVGSMUTTP-UHFFFAOYSA-N 2 2 362.521 4.155 20 0 FIADLP FC(F)(F)COc1ccccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535577074 1116329336 /nfs/dbraw/zinc/32/93/36/1116329336.db2.gz ZVHAPKLTJOOTMA-UHFFFAOYSA-N 2 2 365.399 4.099 20 0 FIADLP CC[N@@H+](Cc1cn(C)nc1C(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539406613 1116332301 /nfs/dbraw/zinc/33/23/01/1116332301.db2.gz BSTZPPBTAKEPEJ-HXUWFJFHSA-N 2 2 368.569 4.062 20 0 FIADLP CC[N@H+](Cc1cn(C)nc1C(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539406613 1116332303 /nfs/dbraw/zinc/33/23/03/1116332303.db2.gz BSTZPPBTAKEPEJ-HXUWFJFHSA-N 2 2 368.569 4.062 20 0 FIADLP CC[NH+](Cc1cn(C)nc1C(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539406613 1116332306 /nfs/dbraw/zinc/33/23/06/1116332306.db2.gz BSTZPPBTAKEPEJ-HXUWFJFHSA-N 2 2 368.569 4.062 20 0 FIADLP CC[NH+](Cc1cn(C)nc1C(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539406613 1116332309 /nfs/dbraw/zinc/33/23/09/1116332309.db2.gz BSTZPPBTAKEPEJ-HXUWFJFHSA-N 2 2 368.569 4.062 20 0 FIADLP COc1ccc(C2([NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)CC2)cc1 ZINC000539624019 1116355649 /nfs/dbraw/zinc/35/56/49/1116355649.db2.gz BEWDQAQAUPFYOM-UHFFFAOYSA-N 2 2 368.496 4.120 20 0 FIADLP COc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1Cl ZINC000539658067 1116360480 /nfs/dbraw/zinc/36/04/80/1116360480.db2.gz MVRJNYLBPTUDAI-WMLDXEAASA-N 2 2 374.916 4.057 20 0 FIADLP CCO[C@@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1(CC)CC ZINC000539690308 1116365917 /nfs/dbraw/zinc/36/59/17/1116365917.db2.gz WYRURGBCKLBYEP-WOJBJXKFSA-N 2 2 374.573 4.008 20 0 FIADLP C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1cccc(OCC[NH+](C)C)c1 ZINC000539740417 1116373968 /nfs/dbraw/zinc/37/39/68/1116373968.db2.gz MZJFOSJCWZQIIJ-GOSISDBHSA-N 2 2 368.525 4.185 20 0 FIADLP CC(C)(C)n1cc(C[NH2+]CC[NH+]2CCCC2)c(-c2ccccc2Cl)n1 ZINC000539789018 1116380755 /nfs/dbraw/zinc/38/07/55/1116380755.db2.gz PHRPPGHGADEEOX-UHFFFAOYSA-N 2 2 360.933 4.144 20 0 FIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000462793706 1117776436 /nfs/dbraw/zinc/77/64/36/1117776436.db2.gz WBHRVWAWTUPVAH-ZDUSSCGKSA-N 2 2 373.324 4.062 20 0 FIADLP CC(C)[NH+](CCC[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C)C(C)C ZINC000540315276 1117980429 /nfs/dbraw/zinc/98/04/29/1117980429.db2.gz FWSGCWPPZGTTNS-OAHLLOKOSA-N 2 2 350.938 4.386 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1F ZINC000463139999 1117987340 /nfs/dbraw/zinc/98/73/40/1117987340.db2.gz FQKXDPJBHOKPNC-OAHLLOKOSA-N 2 2 362.439 4.462 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000463211565 1118024148 /nfs/dbraw/zinc/02/41/48/1118024148.db2.gz HCPAEGYYVSCMFJ-VSKRKVRLSA-N 2 2 353.510 4.086 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000463211565 1118024152 /nfs/dbraw/zinc/02/41/52/1118024152.db2.gz HCPAEGYYVSCMFJ-VSKRKVRLSA-N 2 2 353.510 4.086 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463279883 1118067736 /nfs/dbraw/zinc/06/77/36/1118067736.db2.gz KIIMKFKCLGHTJJ-CDIGIKMISA-N 2 2 363.549 4.075 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463279883 1118067741 /nfs/dbraw/zinc/06/77/41/1118067741.db2.gz KIIMKFKCLGHTJJ-CDIGIKMISA-N 2 2 363.549 4.075 20 0 FIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCSc4ccc(F)cc43)[nH+]c2)C1 ZINC000540755988 1118224373 /nfs/dbraw/zinc/22/43/73/1118224373.db2.gz AFXFIBFDZPNJOJ-SJLPKXTDSA-N 2 2 372.513 4.010 20 0 FIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCSc4ccc(F)cc43)[nH+]c2)C1 ZINC000540755985 1118224407 /nfs/dbraw/zinc/22/44/07/1118224407.db2.gz AFXFIBFDZPNJOJ-FUHWJXTLSA-N 2 2 372.513 4.010 20 0 FIADLP CC(C)C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccs1 ZINC000540756194 1118224589 /nfs/dbraw/zinc/22/45/89/1118224589.db2.gz FFZCBOIWMLCKHR-MSOLQXFVSA-N 2 2 358.555 4.483 20 0 FIADLP CC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc(F)ccc1F ZINC000540758454 1118225602 /nfs/dbraw/zinc/22/56/02/1118225602.db2.gz JIAPCOOMGSSEQX-VQIMIIECSA-N 2 2 360.452 4.063 20 0 FIADLP CCc1ccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000540787355 1118246732 /nfs/dbraw/zinc/24/67/32/1118246732.db2.gz CUBODHKEDZOFOK-QGZVFWFLSA-N 2 2 352.526 4.348 20 0 FIADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(C)cc1 ZINC000540787990 1118247362 /nfs/dbraw/zinc/24/73/62/1118247362.db2.gz RFUPRAHQDGUWPD-NRFANRHFSA-N 2 2 352.526 4.484 20 0 FIADLP Clc1cnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000540868403 1118286192 /nfs/dbraw/zinc/28/61/92/1118286192.db2.gz SCSQCRRTVGIKER-UHFFFAOYSA-N 2 2 356.341 4.476 20 0 FIADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000541202120 1118421178 /nfs/dbraw/zinc/42/11/78/1118421178.db2.gz FLINGOZPBNDSTM-LJQANCHMSA-N 2 2 368.525 4.019 20 0 FIADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000464056460 1118427520 /nfs/dbraw/zinc/42/75/20/1118427520.db2.gz ZTHUHEOPYOTURX-ZDUSSCGKSA-N 2 2 359.739 4.313 20 0 FIADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000464056460 1118427523 /nfs/dbraw/zinc/42/75/23/1118427523.db2.gz ZTHUHEOPYOTURX-ZDUSSCGKSA-N 2 2 359.739 4.313 20 0 FIADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000491829943 1118984229 /nfs/dbraw/zinc/98/42/29/1118984229.db2.gz BJCAPKCWFHOZKY-INIZCTEOSA-N 2 2 361.917 4.315 20 0 FIADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000491829943 1118984230 /nfs/dbraw/zinc/98/42/30/1118984230.db2.gz BJCAPKCWFHOZKY-INIZCTEOSA-N 2 2 361.917 4.315 20 0 FIADLP Cc1cc(C)c(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(C)c1 ZINC000177256902 1119320010 /nfs/dbraw/zinc/32/00/10/1119320010.db2.gz JLDJPOWVIWWLEG-UHFFFAOYSA-N 2 2 351.538 4.146 20 0 FIADLP Cc1cc(C)c(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(C)c1 ZINC000177256902 1119320012 /nfs/dbraw/zinc/32/00/12/1119320012.db2.gz JLDJPOWVIWWLEG-UHFFFAOYSA-N 2 2 351.538 4.146 20 0 FIADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000178520733 1119395789 /nfs/dbraw/zinc/39/57/89/1119395789.db2.gz TWTDTUSDWGAVBL-KRWDZBQOSA-N 2 2 372.484 4.115 20 0 FIADLP CC(C)Oc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1Cl ZINC000493310304 1119443298 /nfs/dbraw/zinc/44/32/98/1119443298.db2.gz JSKSEUHYXUSCPF-UHFFFAOYSA-N 2 2 361.917 4.315 20 0 FIADLP COc1ccc2nc(C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)sc2c1 ZINC000187490638 1119786080 /nfs/dbraw/zinc/78/60/80/1119786080.db2.gz VUFGVMJCNXCAKG-HUUCEWRRSA-N 2 2 359.539 4.048 20 0 FIADLP COc1ccc2nc(C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)sc2c1 ZINC000187490638 1119786083 /nfs/dbraw/zinc/78/60/83/1119786083.db2.gz VUFGVMJCNXCAKG-HUUCEWRRSA-N 2 2 359.539 4.048 20 0 FIADLP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000189268347 1119881963 /nfs/dbraw/zinc/88/19/63/1119881963.db2.gz DUVNWCQPVNHFAY-WMZHIEFXSA-N 2 2 367.537 4.179 20 0 FIADLP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000189268347 1119881968 /nfs/dbraw/zinc/88/19/68/1119881968.db2.gz DUVNWCQPVNHFAY-WMZHIEFXSA-N 2 2 367.537 4.179 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1csc(Cl)c1 ZINC000191129254 1119961841 /nfs/dbraw/zinc/96/18/41/1119961841.db2.gz MYPRESXIYGGUDP-AWEZNQCLSA-N 2 2 350.915 4.085 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nccn2-c2ccccc2)cc1 ZINC000191304438 1119970255 /nfs/dbraw/zinc/97/02/55/1119970255.db2.gz LQYFIGRFWWJTHT-KRWDZBQOSA-N 2 2 357.461 4.217 20 0 FIADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CCS2 ZINC000191493660 1119979670 /nfs/dbraw/zinc/97/96/70/1119979670.db2.gz MDEWLJQSDAVPKY-HXUWFJFHSA-N 2 2 365.502 4.267 20 0 FIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccc2c(c1)OCCO2 ZINC000192152958 1120031342 /nfs/dbraw/zinc/03/13/42/1120031342.db2.gz AUJYMYMMXBQCOG-HXUWFJFHSA-N 2 2 363.461 4.193 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000192157046 1120032292 /nfs/dbraw/zinc/03/22/92/1120032292.db2.gz VAYOHVNVYRGXJC-SFHVURJKSA-N 2 2 357.461 4.217 20 0 FIADLP C[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000192542795 1120066953 /nfs/dbraw/zinc/06/69/53/1120066953.db2.gz XYBQQVPHHVOUTH-FDDCHVKYSA-N 2 2 361.489 4.113 20 0 FIADLP COc1cccc(C[NH+]2CCC([NH2+][C@H](C)Cc3cccc(F)c3)CC2)c1 ZINC001168470005 1120255384 /nfs/dbraw/zinc/25/53/84/1120255384.db2.gz WDDLZRYOSITXFG-QGZVFWFLSA-N 2 2 356.485 4.020 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000494993114 1120421484 /nfs/dbraw/zinc/42/14/84/1120421484.db2.gz BBCKQEBWXPGUCS-ZHALLVOQSA-N 2 2 351.485 4.097 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000494993114 1120421489 /nfs/dbraw/zinc/42/14/89/1120421489.db2.gz BBCKQEBWXPGUCS-ZHALLVOQSA-N 2 2 351.485 4.097 20 0 FIADLP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000495058837 1120451754 /nfs/dbraw/zinc/45/17/54/1120451754.db2.gz KUECCTDSYPDRCM-XMSQKQJNSA-N 2 2 365.452 4.269 20 0 FIADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000495058834 1120451957 /nfs/dbraw/zinc/45/19/57/1120451957.db2.gz KUECCTDSYPDRCM-AVRDEDQJSA-N 2 2 365.452 4.269 20 0 FIADLP Cc1ccc2cc([C@H](C)[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)oc2c1 ZINC000495257997 1120586250 /nfs/dbraw/zinc/58/62/50/1120586250.db2.gz ZDYMMKYBJGYRJH-SFHVURJKSA-N 2 2 364.489 4.424 20 0 FIADLP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OCc1cccs1 ZINC000237418017 1120977358 /nfs/dbraw/zinc/97/73/58/1120977358.db2.gz KVTBWTUKHUVPIE-OALUTQOASA-N 2 2 372.534 4.052 20 0 FIADLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OCc1cccs1 ZINC000237418017 1120977359 /nfs/dbraw/zinc/97/73/59/1120977359.db2.gz KVTBWTUKHUVPIE-OALUTQOASA-N 2 2 372.534 4.052 20 0 FIADLP Cn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000443951643 1120998536 /nfs/dbraw/zinc/99/85/36/1120998536.db2.gz YOKCDZVOTXKVQE-CYBMUJFWSA-N 2 2 371.282 4.115 20 0 FIADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC001168496902 1121003080 /nfs/dbraw/zinc/00/30/80/1121003080.db2.gz KCMCOSVUVWCFGQ-REWPJTCUSA-N 2 2 370.512 4.140 20 0 FIADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC001168496902 1121003085 /nfs/dbraw/zinc/00/30/85/1121003085.db2.gz KCMCOSVUVWCFGQ-REWPJTCUSA-N 2 2 370.512 4.140 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-c2ccc(F)cc2)s1 ZINC000765791503 1121995807 /nfs/dbraw/zinc/99/58/07/1121995807.db2.gz LJYDVMAJGOCGHQ-WBAXXEDZSA-N 2 2 360.498 4.068 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-c2ccc(F)cc2)s1 ZINC000765791503 1121995809 /nfs/dbraw/zinc/99/58/09/1121995809.db2.gz LJYDVMAJGOCGHQ-WBAXXEDZSA-N 2 2 360.498 4.068 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000765791462 1121996146 /nfs/dbraw/zinc/99/61/46/1121996146.db2.gz KGITUSRIGFZFKI-HQRMLTQVSA-N 2 2 370.468 4.132 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000765791462 1121996153 /nfs/dbraw/zinc/99/61/53/1121996153.db2.gz KGITUSRIGFZFKI-HQRMLTQVSA-N 2 2 370.468 4.132 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-c2ccccc2F)s1 ZINC000765792183 1121997984 /nfs/dbraw/zinc/99/79/84/1121997984.db2.gz PMATWTRQXKZETK-HRCADAONSA-N 2 2 360.498 4.068 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-c2ccccc2F)s1 ZINC000765792183 1121997985 /nfs/dbraw/zinc/99/79/85/1121997985.db2.gz PMATWTRQXKZETK-HRCADAONSA-N 2 2 360.498 4.068 20 0 FIADLP CCOc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1OCC ZINC000497391517 1122204897 /nfs/dbraw/zinc/20/48/97/1122204897.db2.gz QLAGHZOSYNMUOW-KRWDZBQOSA-N 2 2 369.509 4.199 20 0 FIADLP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000089724745 1122246405 /nfs/dbraw/zinc/24/64/05/1122246405.db2.gz RCRMNWUIRKUUQU-UTKZUKDTSA-N 2 2 360.461 4.404 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444790608 1122618938 /nfs/dbraw/zinc/61/89/38/1122618938.db2.gz IYHILEZVVDHISD-OKZBNKHCSA-N 2 2 368.525 4.140 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444790608 1122618940 /nfs/dbraw/zinc/61/89/40/1122618940.db2.gz IYHILEZVVDHISD-OKZBNKHCSA-N 2 2 368.525 4.140 20 0 FIADLP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444796139 1122622774 /nfs/dbraw/zinc/62/27/74/1122622774.db2.gz VUFZALSWUYORIU-DZGCQCFKSA-N 2 2 371.872 4.064 20 0 FIADLP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444796139 1122622778 /nfs/dbraw/zinc/62/27/78/1122622778.db2.gz VUFZALSWUYORIU-DZGCQCFKSA-N 2 2 371.872 4.064 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)s2)C[C@H]1c1ccccc1 ZINC000556057390 1122628260 /nfs/dbraw/zinc/62/82/60/1122628260.db2.gz CBLCPJILSVMHMQ-ZBFHGGJFSA-N 2 2 365.340 4.436 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)s2)C[C@H]1c1ccccc1 ZINC000556057390 1122628262 /nfs/dbraw/zinc/62/82/62/1122628262.db2.gz CBLCPJILSVMHMQ-ZBFHGGJFSA-N 2 2 365.340 4.436 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556168068 1122707999 /nfs/dbraw/zinc/70/79/99/1122707999.db2.gz DFROQXQWOBPERQ-JTHBVZDNSA-N 2 2 360.505 4.106 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556168068 1122708001 /nfs/dbraw/zinc/70/80/01/1122708001.db2.gz DFROQXQWOBPERQ-JTHBVZDNSA-N 2 2 360.505 4.106 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000556217766 1122736089 /nfs/dbraw/zinc/73/60/89/1122736089.db2.gz OILOOCJVAPQIRZ-UZLBHIALSA-N 2 2 359.464 4.194 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000556217766 1122736092 /nfs/dbraw/zinc/73/60/92/1122736092.db2.gz OILOOCJVAPQIRZ-UZLBHIALSA-N 2 2 359.464 4.194 20 0 FIADLP Cc1nc(C[N@H+](C)CCCn2cc[nH+]c2C)oc1-c1ccc(Cl)cc1 ZINC000130861363 1122941589 /nfs/dbraw/zinc/94/15/89/1122941589.db2.gz HDMRCGDOFGINFP-UHFFFAOYSA-N 2 2 358.873 4.330 20 0 FIADLP Cc1nc(C[N@@H+](C)CCCn2cc[nH+]c2C)oc1-c1ccc(Cl)cc1 ZINC000130861363 1122941591 /nfs/dbraw/zinc/94/15/91/1122941591.db2.gz HDMRCGDOFGINFP-UHFFFAOYSA-N 2 2 358.873 4.330 20 0 FIADLP COc1cc(OC)c([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1Cl ZINC000131224241 1123006015 /nfs/dbraw/zinc/00/60/15/1123006015.db2.gz UZOYFAXZNOKMKT-CQSZACIVSA-N 2 2 354.922 4.128 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)no3)C2)CC1 ZINC000498861742 1123049372 /nfs/dbraw/zinc/04/93/72/1123049372.db2.gz UKUFZFYACFDJBQ-LJQANCHMSA-N 2 2 353.510 4.286 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)CC1 ZINC000498861742 1123049378 /nfs/dbraw/zinc/04/93/78/1123049378.db2.gz UKUFZFYACFDJBQ-LJQANCHMSA-N 2 2 353.510 4.286 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)CC1 ZINC000498878415 1123058606 /nfs/dbraw/zinc/05/86/06/1123058606.db2.gz ACWDSYULEQHUPY-SFHVURJKSA-N 2 2 371.500 4.425 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)CC1 ZINC000498878415 1123058611 /nfs/dbraw/zinc/05/86/11/1123058611.db2.gz ACWDSYULEQHUPY-SFHVURJKSA-N 2 2 371.500 4.425 20 0 FIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000132236352 1123233601 /nfs/dbraw/zinc/23/36/01/1123233601.db2.gz QCVHUHCABRFVBC-RTBURBONSA-N 2 2 363.505 4.264 20 0 FIADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132272666 1123238046 /nfs/dbraw/zinc/23/80/46/1123238046.db2.gz QHUDUBROXZIERX-HXUWFJFHSA-N 2 2 351.881 4.404 20 0 FIADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nc2c1 ZINC000499250165 1123358309 /nfs/dbraw/zinc/35/83/09/1123358309.db2.gz LRCCADVDPCCSNV-OWZKRDHZSA-N 2 2 360.505 4.157 20 0 FIADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc2c1 ZINC000499250165 1123358313 /nfs/dbraw/zinc/35/83/13/1123358313.db2.gz LRCCADVDPCCSNV-OWZKRDHZSA-N 2 2 360.505 4.157 20 0 FIADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)C)C1 ZINC000920181416 1123398067 /nfs/dbraw/zinc/39/80/67/1123398067.db2.gz XBTNBSCCOOZPTR-QGZVFWFLSA-N 2 2 374.960 4.471 20 0 FIADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)C)C1 ZINC000920181416 1123398074 /nfs/dbraw/zinc/39/80/74/1123398074.db2.gz XBTNBSCCOOZPTR-QGZVFWFLSA-N 2 2 374.960 4.471 20 0 FIADLP Fc1cc(C[NH2+]CC2CCC(C(F)(F)F)CC2)ccc1-n1cc[nH+]c1 ZINC000237695680 1123650465 /nfs/dbraw/zinc/65/04/65/1123650465.db2.gz SLELZUWHLYMABD-UHFFFAOYSA-N 2 2 355.379 4.470 20 0 FIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134882369 1123687347 /nfs/dbraw/zinc/68/73/47/1123687347.db2.gz BYVPCXQRYIBINT-YVWKXTFCSA-N 2 2 351.494 4.351 20 0 FIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134882369 1123687350 /nfs/dbraw/zinc/68/73/50/1123687350.db2.gz BYVPCXQRYIBINT-YVWKXTFCSA-N 2 2 351.494 4.351 20 0 FIADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134882369 1123687352 /nfs/dbraw/zinc/68/73/52/1123687352.db2.gz BYVPCXQRYIBINT-YVWKXTFCSA-N 2 2 351.494 4.351 20 0 FIADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134882369 1123687355 /nfs/dbraw/zinc/68/73/55/1123687355.db2.gz BYVPCXQRYIBINT-YVWKXTFCSA-N 2 2 351.494 4.351 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000134922820 1123694147 /nfs/dbraw/zinc/69/41/47/1123694147.db2.gz VPUQLVAIUKLICK-ILZDJORESA-N 2 2 366.509 4.055 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000134922820 1123694154 /nfs/dbraw/zinc/69/41/54/1123694154.db2.gz VPUQLVAIUKLICK-ILZDJORESA-N 2 2 366.509 4.055 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000134922820 1123694160 /nfs/dbraw/zinc/69/41/60/1123694160.db2.gz VPUQLVAIUKLICK-ILZDJORESA-N 2 2 366.509 4.055 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000134922820 1123694162 /nfs/dbraw/zinc/69/41/62/1123694162.db2.gz VPUQLVAIUKLICK-ILZDJORESA-N 2 2 366.509 4.055 20 0 FIADLP COc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)c2ccc(Cl)cc2)cc1C ZINC000179992449 1124184039 /nfs/dbraw/zinc/18/40/39/1124184039.db2.gz DBBPXMDDCPQIGU-HXUWFJFHSA-N 2 2 355.869 4.233 20 0 FIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245706254 1124211186 /nfs/dbraw/zinc/21/11/86/1124211186.db2.gz FDQZYYPDBVUZPC-HNAYVOBHSA-N 2 2 374.960 4.116 20 0 FIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245706254 1124211192 /nfs/dbraw/zinc/21/11/92/1124211192.db2.gz FDQZYYPDBVUZPC-HNAYVOBHSA-N 2 2 374.960 4.116 20 0 FIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245706254 1124211197 /nfs/dbraw/zinc/21/11/97/1124211197.db2.gz FDQZYYPDBVUZPC-HNAYVOBHSA-N 2 2 374.960 4.116 20 0 FIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245706254 1124211203 /nfs/dbraw/zinc/21/12/03/1124211203.db2.gz FDQZYYPDBVUZPC-HNAYVOBHSA-N 2 2 374.960 4.116 20 0 FIADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CC[NH+](C4CCCC4)CC2)C3)cc1 ZINC000245706075 1124211409 /nfs/dbraw/zinc/21/14/09/1124211409.db2.gz MKZGEVNTEUQMQT-VILGAWFOSA-N 3 2 367.581 4.179 20 0 FIADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CC[NH+](C4CCCC4)CC2)C3)cc1 ZINC000245706075 1124211416 /nfs/dbraw/zinc/21/14/16/1124211416.db2.gz MKZGEVNTEUQMQT-VILGAWFOSA-N 3 2 367.581 4.179 20 0 FIADLP C[NH+](C)[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccs1 ZINC000245754485 1124241193 /nfs/dbraw/zinc/24/11/93/1124241193.db2.gz UPDBWZHKOGZTQE-MXEMCNAFSA-N 2 2 369.578 4.136 20 0 FIADLP C[NH+](C)[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccs1 ZINC000245754485 1124241198 /nfs/dbraw/zinc/24/11/98/1124241198.db2.gz UPDBWZHKOGZTQE-MXEMCNAFSA-N 2 2 369.578 4.136 20 0 FIADLP COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]CCCn2cc[nH+]c2)c1 ZINC001168644509 1124245202 /nfs/dbraw/zinc/24/52/02/1124245202.db2.gz MEQRHABEWSXWIT-QHCPKHFHSA-N 2 2 363.505 4.472 20 0 FIADLP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000246947845 1124575430 /nfs/dbraw/zinc/57/54/30/1124575430.db2.gz HYRODUKMWDTPKL-OIBXWCBGSA-N 2 2 351.538 4.321 20 0 FIADLP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000246947845 1124575432 /nfs/dbraw/zinc/57/54/32/1124575432.db2.gz HYRODUKMWDTPKL-OIBXWCBGSA-N 2 2 351.538 4.321 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000246975392 1124577725 /nfs/dbraw/zinc/57/77/25/1124577725.db2.gz VPUQLVAIUKLICK-HQRMLTQVSA-N 2 2 366.509 4.055 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000246975392 1124577732 /nfs/dbraw/zinc/57/77/32/1124577732.db2.gz VPUQLVAIUKLICK-HQRMLTQVSA-N 2 2 366.509 4.055 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000246975392 1124577737 /nfs/dbraw/zinc/57/77/37/1124577737.db2.gz VPUQLVAIUKLICK-HQRMLTQVSA-N 2 2 366.509 4.055 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000246975392 1124577740 /nfs/dbraw/zinc/57/77/40/1124577740.db2.gz VPUQLVAIUKLICK-HQRMLTQVSA-N 2 2 366.509 4.055 20 0 FIADLP CCc1nc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cs1 ZINC000248418780 1124766572 /nfs/dbraw/zinc/76/65/72/1124766572.db2.gz TYKADKWXPVENPK-JCHJZTRSSA-N 2 2 355.551 4.267 20 0 FIADLP CCc1nc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cs1 ZINC000248418780 1124766579 /nfs/dbraw/zinc/76/65/79/1124766579.db2.gz TYKADKWXPVENPK-JCHJZTRSSA-N 2 2 355.551 4.267 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000089541499 1124914301 /nfs/dbraw/zinc/91/43/01/1124914301.db2.gz BLDCIHWZIMDNDX-UWJYYQICSA-N 2 2 357.929 4.168 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000089541499 1124914306 /nfs/dbraw/zinc/91/43/06/1124914306.db2.gz BLDCIHWZIMDNDX-UWJYYQICSA-N 2 2 357.929 4.168 20 0 FIADLP CC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Oc1cccc(C)c1 ZINC000090218729 1124989436 /nfs/dbraw/zinc/98/94/36/1124989436.db2.gz JCLRPWQLBDOHAL-WPYKKVEZSA-N 2 2 367.537 4.048 20 0 FIADLP CC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Oc1cccc(C)c1 ZINC000090218729 1124989442 /nfs/dbraw/zinc/98/94/42/1124989442.db2.gz JCLRPWQLBDOHAL-WPYKKVEZSA-N 2 2 367.537 4.048 20 0 FIADLP Cc1ccccc1[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000091287868 1125063526 /nfs/dbraw/zinc/06/35/26/1125063526.db2.gz RGWFSDYNTHMUEB-QHCPKHFHSA-N 2 2 350.506 4.068 20 0 FIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1nc2ccc(Cl)cc2n1C ZINC000091318749 1125066086 /nfs/dbraw/zinc/06/60/86/1125066086.db2.gz FIMRDYGLTZPQRF-AWEZNQCLSA-N 2 2 357.889 4.165 20 0 FIADLP c1ccc(C([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc2)cc1 ZINC000679342725 1125069757 /nfs/dbraw/zinc/06/97/57/1125069757.db2.gz QMCSQMMTQDDMNH-QFIPXVFZSA-N 2 2 350.506 4.009 20 0 FIADLP COC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000091413684 1125071501 /nfs/dbraw/zinc/07/15/01/1125071501.db2.gz KWJVWLQZQQSJHZ-JLTOFOAXSA-N 2 2 357.404 4.189 20 0 FIADLP CC[N@@H+](Cc1cnc(C(C)C)s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564614 1125440610 /nfs/dbraw/zinc/44/06/10/1125440610.db2.gz BVTQZWXVROHNJN-UHFFFAOYSA-N 2 2 358.555 4.400 20 0 FIADLP CC[N@H+](Cc1cnc(C(C)C)s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564614 1125440614 /nfs/dbraw/zinc/44/06/14/1125440614.db2.gz BVTQZWXVROHNJN-UHFFFAOYSA-N 2 2 358.555 4.400 20 0 FIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1Br ZINC000097393501 132305872 /nfs/dbraw/zinc/30/58/72/132305872.db2.gz LVSHBNQTSNTRQR-CQSZACIVSA-N 2 2 360.299 4.164 20 0 FIADLP c1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3OC3CCCC3)CC2)nc1 ZINC000067213187 568071799 /nfs/dbraw/zinc/07/17/99/568071799.db2.gz YHQAWTRCKMLBKU-UHFFFAOYSA-N 2 2 365.521 4.157 20 0 FIADLP Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000604219461 568230326 /nfs/dbraw/zinc/23/03/26/568230326.db2.gz ICVDYIMJNVATAC-QZTJIDSGSA-N 2 2 367.493 4.175 20 0 FIADLP Cc1cc(NCc2ccccc2C[NH+]2CCCCCC2)nc(C2CC2)[nH+]1 ZINC000604756731 568365025 /nfs/dbraw/zinc/36/50/25/568365025.db2.gz SVMGJNKYZHETMS-UHFFFAOYSA-N 2 2 350.510 4.072 20 0 FIADLP Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000604881742 568383829 /nfs/dbraw/zinc/38/38/29/568383829.db2.gz VKHDMXBMRXZIHQ-KBPBESRZSA-N 2 2 365.399 4.481 20 0 FIADLP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000604881742 568383830 /nfs/dbraw/zinc/38/38/30/568383830.db2.gz VKHDMXBMRXZIHQ-KBPBESRZSA-N 2 2 365.399 4.481 20 0 FIADLP Cc1cc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000606156466 568676426 /nfs/dbraw/zinc/67/64/26/568676426.db2.gz RRHWLOYFLCLDJP-PXNSSMCTSA-N 2 2 350.510 4.152 20 0 FIADLP Cc1cc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000606156466 568676429 /nfs/dbraw/zinc/67/64/29/568676429.db2.gz RRHWLOYFLCLDJP-PXNSSMCTSA-N 2 2 350.510 4.152 20 0 FIADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4ccccc4c[nH+]3)C[C@H]21 ZINC001165025794 721805123 /nfs/dbraw/zinc/80/51/23/721805123.db2.gz OVEXJOKCDUVSTH-MDNUFGMLSA-N 2 2 372.516 4.367 20 0 FIADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4ccccc4c[nH+]3)C[C@H]21 ZINC001165025794 721805124 /nfs/dbraw/zinc/80/51/24/721805124.db2.gz OVEXJOKCDUVSTH-MDNUFGMLSA-N 2 2 372.516 4.367 20 0 FIADLP c1ccc2cc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)[nH+]cc2c1 ZINC001164954623 722014587 /nfs/dbraw/zinc/01/45/87/722014587.db2.gz NFMONDIDUSFFBH-UHFFFAOYSA-N 2 2 358.489 4.122 20 0 FIADLP c1ccc2cc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)[nH+]cc2c1 ZINC001164954623 722014590 /nfs/dbraw/zinc/01/45/90/722014590.db2.gz NFMONDIDUSFFBH-UHFFFAOYSA-N 2 2 358.489 4.122 20 0 FIADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000093769915 1125519709 /nfs/dbraw/zinc/51/97/09/1125519709.db2.gz DCCPOLYEBWWNNM-NRFANRHFSA-N 2 2 368.521 4.048 20 0 FIADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000093769915 1125519715 /nfs/dbraw/zinc/51/97/15/1125519715.db2.gz DCCPOLYEBWWNNM-NRFANRHFSA-N 2 2 368.521 4.048 20 0 FIADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000093769915 1125519721 /nfs/dbraw/zinc/51/97/21/1125519721.db2.gz DCCPOLYEBWWNNM-NRFANRHFSA-N 2 2 368.521 4.048 20 0 FIADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000093769915 1125519725 /nfs/dbraw/zinc/51/97/25/1125519725.db2.gz DCCPOLYEBWWNNM-NRFANRHFSA-N 2 2 368.521 4.048 20 0 FIADLP c1cn(CCCC2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)c[nH+]1 ZINC000543061864 1125580618 /nfs/dbraw/zinc/58/06/18/1125580618.db2.gz NAJJCBCARCUIFV-UHFFFAOYSA-N 2 2 350.466 4.231 20 0 FIADLP C[C@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2cccc(Br)c21 ZINC000152800335 1125654682 /nfs/dbraw/zinc/65/46/82/1125654682.db2.gz LSZOGSWBXIFTIW-GUYCJALGSA-N 2 2 374.326 4.363 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000153303958 1125772735 /nfs/dbraw/zinc/77/27/35/1125772735.db2.gz XCYUAMDNTREWNL-UIAACRFSSA-N 2 2 371.525 4.258 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000153303958 1125772742 /nfs/dbraw/zinc/77/27/42/1125772742.db2.gz XCYUAMDNTREWNL-UIAACRFSSA-N 2 2 371.525 4.258 20 0 FIADLP Cn1cccc1C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000119058365 1080778211 /nfs/dbraw/zinc/77/82/11/1080778211.db2.gz NBDRPKIBHDBYJK-UHFFFAOYSA-N 2 2 356.473 4.227 20 0 FIADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1nc(-c2ccccc2)no1 ZINC000121128681 1080929142 /nfs/dbraw/zinc/92/91/42/1080929142.db2.gz GKVYOXIQEYZLKD-KRWDZBQOSA-N 2 2 364.493 4.429 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000655678744 1081113137 /nfs/dbraw/zinc/11/31/37/1081113137.db2.gz CEJOCFGWDHHXQV-JPYJTQIMSA-N 2 2 350.506 4.258 20 0 FIADLP Cc1ccc(C)c([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000655703967 1081125514 /nfs/dbraw/zinc/12/55/14/1081125514.db2.gz OKFOETYFLWDFDX-LADGPHEKSA-N 2 2 364.533 4.236 20 0 FIADLP Clc1cccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000655703850 1081125547 /nfs/dbraw/zinc/12/55/47/1081125547.db2.gz WOTKILZHUVGMTI-FGZHOGPDSA-N 2 2 370.924 4.272 20 0 FIADLP CC(C)CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655705052 1081126767 /nfs/dbraw/zinc/12/67/67/1081126767.db2.gz UXEJCMAPHOZBPJ-RXVVDRJESA-N 2 2 360.542 4.015 20 0 FIADLP c1ccc(Sc2ccccc2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655712823 1081131000 /nfs/dbraw/zinc/13/10/00/1081131000.db2.gz VUMURBXIPZQCAV-FQEVSTJZSA-N 2 2 368.546 4.181 20 0 FIADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1F ZINC000655752177 1081170223 /nfs/dbraw/zinc/17/02/23/1081170223.db2.gz VJESBFKPVXKBCF-APWZRJJASA-N 2 2 354.897 4.019 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Cl)ccc1Cl ZINC000655755966 1081177039 /nfs/dbraw/zinc/17/70/39/1081177039.db2.gz JUXIFKXEJXLNKI-BBRMVZONSA-N 2 2 357.325 4.287 20 0 FIADLP [NH3+]Cc1cnc2c(ccn2-c2ccc3[nH+]c(-c4ccc(Cl)cc4)cn3c2)c1 ZINC001167313760 1081316689 /nfs/dbraw/zinc/31/66/89/1081316689.db2.gz MZPWVCVIRJFPGY-UHFFFAOYSA-N 2 2 373.847 4.452 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2OC2CCCC2)C[C@@H]1c1ccccc1 ZINC000580055514 1081559786 /nfs/dbraw/zinc/55/97/86/1081559786.db2.gz VPPNREWNSVKHHK-RBBKRZOGSA-N 2 2 365.521 4.328 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2OC2CCCC2)C[C@@H]1c1ccccc1 ZINC000580055514 1081559791 /nfs/dbraw/zinc/55/97/91/1081559791.db2.gz VPPNREWNSVKHHK-RBBKRZOGSA-N 2 2 365.521 4.328 20 0 FIADLP c1cn(-c2csc(C[NH2+][C@@H]3c4ccccc4CC34CCOCC4)c2)c[nH+]1 ZINC000580132247 1081629448 /nfs/dbraw/zinc/62/94/48/1081629448.db2.gz VWZHGJQRFPHZOW-HXUWFJFHSA-N 2 2 365.502 4.118 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)cs2)C[C@@H]1c1ccccc1 ZINC000580174938 1081732408 /nfs/dbraw/zinc/73/24/08/1081732408.db2.gz WYSXDTOWVFCAGJ-NVXWUHKLSA-N 2 2 365.340 4.436 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)cs2)C[C@@H]1c1ccccc1 ZINC000580174938 1081732413 /nfs/dbraw/zinc/73/24/13/1081732413.db2.gz WYSXDTOWVFCAGJ-NVXWUHKLSA-N 2 2 365.340 4.436 20 0 FIADLP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(OC2CCCC2)c1 ZINC000581542607 1082652194 /nfs/dbraw/zinc/65/21/94/1082652194.db2.gz TUCSKVBYQZXGCY-SFTDATJTSA-N 2 2 352.478 4.251 20 0 FIADLP CN(C)[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000647167609 1082704990 /nfs/dbraw/zinc/70/49/90/1082704990.db2.gz MFKWNLMDOZINFY-UXHICEINSA-N 2 2 369.578 4.138 20 0 FIADLP CN(C)[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000647167609 1082704994 /nfs/dbraw/zinc/70/49/94/1082704994.db2.gz MFKWNLMDOZINFY-UXHICEINSA-N 2 2 369.578 4.138 20 0 FIADLP C[NH+](C)[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000647167609 1082704997 /nfs/dbraw/zinc/70/49/97/1082704997.db2.gz MFKWNLMDOZINFY-UXHICEINSA-N 2 2 369.578 4.138 20 0 FIADLP C[NH+](C)[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000647167609 1082705001 /nfs/dbraw/zinc/70/50/01/1082705001.db2.gz MFKWNLMDOZINFY-UXHICEINSA-N 2 2 369.578 4.138 20 0 FIADLP Fc1ccc(/C=C\C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000684412028 1082859957 /nfs/dbraw/zinc/85/99/57/1082859957.db2.gz GLDSKDUTPFVHSJ-UPHRSURJSA-N 2 2 356.407 4.234 20 0 FIADLP COc1ccccc1/C=C\C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000684412469 1082861097 /nfs/dbraw/zinc/86/10/97/1082861097.db2.gz LURCKWKNINXZIA-XQRVVYSFSA-N 2 2 368.443 4.103 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCc3ccc(Br)cc31)CCC2 ZINC000510720743 1083260790 /nfs/dbraw/zinc/26/07/90/1083260790.db2.gz LTXCPFSWAOPDGR-YOEHRIQHSA-N 2 2 360.299 4.109 20 0 FIADLP C[C@H](CCc1c(F)cccc1F)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000510756971 1083294699 /nfs/dbraw/zinc/29/46/99/1083294699.db2.gz UEVXSHXEMKNXGW-QGZVFWFLSA-N 2 2 369.459 4.363 20 0 FIADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658293080 1083395818 /nfs/dbraw/zinc/39/58/18/1083395818.db2.gz CSVWAXVCMAOHDA-FUHWJXTLSA-N 2 2 368.974 4.054 20 0 FIADLP Clc1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)cc1Cl ZINC000658296145 1083396999 /nfs/dbraw/zinc/39/69/99/1083396999.db2.gz XSQAQRYVLPKPIO-APWZRJJASA-N 2 2 369.336 4.287 20 0 FIADLP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000658294856 1083397326 /nfs/dbraw/zinc/39/73/26/1083397326.db2.gz JWRYMVQIQDISMR-PWHSHALESA-N 2 2 358.570 4.220 20 0 FIADLP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000510960178 1083538626 /nfs/dbraw/zinc/53/86/26/1083538626.db2.gz QNLJBAALVOQLQO-GHTZIAJQSA-N 2 2 354.542 4.415 20 0 FIADLP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000510960178 1083538629 /nfs/dbraw/zinc/53/86/29/1083538629.db2.gz QNLJBAALVOQLQO-GHTZIAJQSA-N 2 2 354.542 4.415 20 0 FIADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000535808029 1083695886 /nfs/dbraw/zinc/69/58/86/1083695886.db2.gz MQSWCDIMHCFBOU-XMSQKQJNSA-N 2 2 350.506 4.297 20 0 FIADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000535808029 1083695892 /nfs/dbraw/zinc/69/58/92/1083695892.db2.gz MQSWCDIMHCFBOU-XMSQKQJNSA-N 2 2 350.506 4.297 20 0 FIADLP COc1ccc2ccccc2c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000535808029 1083695898 /nfs/dbraw/zinc/69/58/98/1083695898.db2.gz MQSWCDIMHCFBOU-XMSQKQJNSA-N 2 2 350.506 4.297 20 0 FIADLP COc1ccc2ccccc2c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000535808029 1083695903 /nfs/dbraw/zinc/69/59/03/1083695903.db2.gz MQSWCDIMHCFBOU-XMSQKQJNSA-N 2 2 350.506 4.297 20 0 FIADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000653178410 1084264587 /nfs/dbraw/zinc/26/45/87/1084264587.db2.gz XALOGXPNKZQLQX-FQEVSTJZSA-N 2 2 366.509 4.041 20 0 FIADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000653178410 1084264594 /nfs/dbraw/zinc/26/45/94/1084264594.db2.gz XALOGXPNKZQLQX-FQEVSTJZSA-N 2 2 366.509 4.041 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000892104698 1084299484 /nfs/dbraw/zinc/29/94/84/1084299484.db2.gz DPNJHZGKJYVWFZ-UONOGXRCSA-N 2 2 353.532 4.010 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000892104698 1084299489 /nfs/dbraw/zinc/29/94/89/1084299489.db2.gz DPNJHZGKJYVWFZ-UONOGXRCSA-N 2 2 353.532 4.010 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000892104698 1084299496 /nfs/dbraw/zinc/29/94/96/1084299496.db2.gz DPNJHZGKJYVWFZ-UONOGXRCSA-N 2 2 353.532 4.010 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000892104698 1084299503 /nfs/dbraw/zinc/29/95/03/1084299503.db2.gz DPNJHZGKJYVWFZ-UONOGXRCSA-N 2 2 353.532 4.010 20 0 FIADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)c[nH+]1 ZINC000431323508 1084350198 /nfs/dbraw/zinc/35/01/98/1084350198.db2.gz NILVQCSVCGGSJA-NRFANRHFSA-N 2 2 359.473 4.365 20 0 FIADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc(C)c1OC(F)F ZINC001203156420 1084491591 /nfs/dbraw/zinc/49/15/91/1084491591.db2.gz YCTWGVNVOHALLN-SFHVURJKSA-N 2 2 352.469 4.401 20 0 FIADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc(C)c1OC(F)F ZINC001203156420 1084491602 /nfs/dbraw/zinc/49/16/02/1084491602.db2.gz YCTWGVNVOHALLN-SFHVURJKSA-N 2 2 352.469 4.401 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCOc3cc4c(cc31)CCC4)CCC2 ZINC000431337483 1084513713 /nfs/dbraw/zinc/51/37/13/1084513713.db2.gz NMFSSJSKWCSAFL-UYAOXDASSA-N 2 2 351.494 4.061 20 0 FIADLP Cc1ccc2cc(C[NH2+]C3CC[NH+](Cc4ccc(F)cc4)CC3)[nH]c2c1 ZINC000657318683 1084533360 /nfs/dbraw/zinc/53/33/60/1084533360.db2.gz MPXBWBXGZSWBRP-UHFFFAOYSA-N 2 2 351.469 4.370 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3cc4ccncc4s3)C2)CC1 ZINC000657453459 1085106252 /nfs/dbraw/zinc/10/62/52/1085106252.db2.gz ZGOKXSBTMRWGCG-UHFFFAOYSA-N 2 2 369.456 4.191 20 0 FIADLP Brc1cccc2c(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)csc21 ZINC000563438970 1085400067 /nfs/dbraw/zinc/40/00/67/1085400067.db2.gz DGWHSBFUZQJVEM-LLVKDONJSA-N 2 2 362.296 4.034 20 0 FIADLP C[N@@H+](Cc1cc(-c2ccccc2)no1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110115 1085554743 /nfs/dbraw/zinc/55/47/43/1085554743.db2.gz PLIQOAHCZZHQAX-FQEVSTJZSA-N 2 2 361.489 4.296 20 0 FIADLP C[N@H+](Cc1cc(-c2ccccc2)no1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110115 1085554746 /nfs/dbraw/zinc/55/47/46/1085554746.db2.gz PLIQOAHCZZHQAX-FQEVSTJZSA-N 2 2 361.489 4.296 20 0 FIADLP C[NH+](Cc1cc(-c2ccccc2)no1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110115 1085554749 /nfs/dbraw/zinc/55/47/49/1085554749.db2.gz PLIQOAHCZZHQAX-FQEVSTJZSA-N 2 2 361.489 4.296 20 0 FIADLP C[NH+](Cc1cc(-c2ccccc2)no1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110115 1085554751 /nfs/dbraw/zinc/55/47/51/1085554751.db2.gz PLIQOAHCZZHQAX-FQEVSTJZSA-N 2 2 361.489 4.296 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(OC)c1 ZINC000657613771 1085700081 /nfs/dbraw/zinc/70/00/81/1085700081.db2.gz YTYVYSKZVFRWLR-HARLFGEKSA-N 2 2 368.521 4.025 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(OC)c1 ZINC000657613771 1085700089 /nfs/dbraw/zinc/70/00/89/1085700089.db2.gz YTYVYSKZVFRWLR-HARLFGEKSA-N 2 2 368.521 4.025 20 0 FIADLP CCn1nc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c2ccccc21 ZINC000473141013 1085784239 /nfs/dbraw/zinc/78/42/39/1085784239.db2.gz NJOWDUDHIUYWLQ-FQEVSTJZSA-N 2 2 362.521 4.010 20 0 FIADLP CCn1nc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c2ccccc21 ZINC000473141013 1085784248 /nfs/dbraw/zinc/78/42/48/1085784248.db2.gz NJOWDUDHIUYWLQ-FQEVSTJZSA-N 2 2 362.521 4.010 20 0 FIADLP CCn1nc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000473141013 1085784259 /nfs/dbraw/zinc/78/42/59/1085784259.db2.gz NJOWDUDHIUYWLQ-FQEVSTJZSA-N 2 2 362.521 4.010 20 0 FIADLP CCn1nc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000473141013 1085784266 /nfs/dbraw/zinc/78/42/66/1085784266.db2.gz NJOWDUDHIUYWLQ-FQEVSTJZSA-N 2 2 362.521 4.010 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Cl)c1F ZINC000161699291 1085916188 /nfs/dbraw/zinc/91/61/88/1085916188.db2.gz WGDCMARTVQIJLP-KSSFIOAISA-N 2 2 354.897 4.021 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652353466 1085935961 /nfs/dbraw/zinc/93/59/61/1085935961.db2.gz LGVQNMACBYADJN-FXAWDEMLSA-N 2 2 359.558 4.321 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652353466 1085935963 /nfs/dbraw/zinc/93/59/63/1085935963.db2.gz LGVQNMACBYADJN-FXAWDEMLSA-N 2 2 359.558 4.321 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)s1 ZINC000511908336 1085951271 /nfs/dbraw/zinc/95/12/71/1085951271.db2.gz OLWPINPMVRODBA-QGZVFWFLSA-N 2 2 369.456 4.464 20 0 FIADLP COC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000582964110 1085970532 /nfs/dbraw/zinc/97/05/32/1085970532.db2.gz GQCSNJQEINNTAY-FCHUYYIVSA-N 2 2 350.506 4.161 20 0 FIADLP COC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000582964110 1085970537 /nfs/dbraw/zinc/97/05/37/1085970537.db2.gz GQCSNJQEINNTAY-FCHUYYIVSA-N 2 2 350.506 4.161 20 0 FIADLP C[C@H](c1ccc(Oc2ccccc2)cc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662146812 1086206027 /nfs/dbraw/zinc/20/60/27/1086206027.db2.gz BEPZAPXMUMBUTR-NQIIRXRSSA-N 2 2 366.505 4.071 20 0 FIADLP C[C@H](c1ccc(Oc2ccccc2)cc1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662146812 1086206035 /nfs/dbraw/zinc/20/60/35/1086206035.db2.gz BEPZAPXMUMBUTR-NQIIRXRSSA-N 2 2 366.505 4.071 20 0 FIADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000796702862 1086212343 /nfs/dbraw/zinc/21/23/43/1086212343.db2.gz PVAVAGCVZNQFFM-LZBANZJXSA-N 3 2 368.569 4.331 20 0 FIADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000796702862 1086212350 /nfs/dbraw/zinc/21/23/50/1086212350.db2.gz PVAVAGCVZNQFFM-LZBANZJXSA-N 3 2 368.569 4.331 20 0 FIADLP CCCOc1ccc(Br)cc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000221786315 1086347926 /nfs/dbraw/zinc/34/79/26/1086347926.db2.gz ZDMCEDHHPXXBJP-UHFFFAOYSA-N 2 2 357.336 4.058 20 0 FIADLP CCCOc1ccc(Br)cc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000221786315 1086347939 /nfs/dbraw/zinc/34/79/39/1086347939.db2.gz ZDMCEDHHPXXBJP-UHFFFAOYSA-N 2 2 357.336 4.058 20 0 FIADLP Cc1cc([C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c2cccnc2)ccc1F ZINC000663465802 1086565824 /nfs/dbraw/zinc/56/58/24/1086565824.db2.gz LOUVNPMTTPXAPF-XXBNENTESA-N 2 2 367.512 4.330 20 0 FIADLP Cc1cc([C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c2cccnc2)ccc1F ZINC000663465802 1086565831 /nfs/dbraw/zinc/56/58/31/1086565831.db2.gz LOUVNPMTTPXAPF-XXBNENTESA-N 2 2 367.512 4.330 20 0 FIADLP CSc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1F ZINC000126361823 1086613513 /nfs/dbraw/zinc/61/35/13/1086613513.db2.gz KDMFVWUVWWDIEQ-ZDUSSCGKSA-N 2 2 356.470 4.288 20 0 FIADLP Cc1ccc(-c2cccc(C[NH2+]Cc3ncc(C[NH+](C)C)s3)c2)cc1 ZINC000512045119 1086706226 /nfs/dbraw/zinc/70/62/26/1086706226.db2.gz KRUOTVVAKOWKRP-UHFFFAOYSA-N 2 2 351.519 4.470 20 0 FIADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000432408923 1086731892 /nfs/dbraw/zinc/73/18/92/1086731892.db2.gz DHNXBGXAAJWWAF-OLZOCXBDSA-N 2 2 363.304 4.284 20 0 FIADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000432408923 1086731895 /nfs/dbraw/zinc/73/18/95/1086731895.db2.gz DHNXBGXAAJWWAF-OLZOCXBDSA-N 2 2 363.304 4.284 20 0 FIADLP C[C@H](COc1ccc(C(C)(C)C)cc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512100950 1086768232 /nfs/dbraw/zinc/76/82/32/1086768232.db2.gz RIYXGSZXZGNUMG-OAHLLOKOSA-N 2 2 361.555 4.059 20 0 FIADLP CCc1nc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cs1 ZINC000657771738 1086802000 /nfs/dbraw/zinc/80/20/00/1086802000.db2.gz NKAUQILSFCQVIZ-SFHVURJKSA-N 2 2 355.551 4.097 20 0 FIADLP CCc1nc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cs1 ZINC000657771738 1086802007 /nfs/dbraw/zinc/80/20/07/1086802007.db2.gz NKAUQILSFCQVIZ-SFHVURJKSA-N 2 2 355.551 4.097 20 0 FIADLP CC(C)C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000647301354 1086865707 /nfs/dbraw/zinc/86/57/07/1086865707.db2.gz GFFJNPTXFOEVKF-XZOQPEGZSA-N 2 2 367.537 4.050 20 0 FIADLP CC(C)C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000647301354 1086865723 /nfs/dbraw/zinc/86/57/23/1086865723.db2.gz GFFJNPTXFOEVKF-XZOQPEGZSA-N 2 2 367.537 4.050 20 0 FIADLP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCn2cc[nH+]c2)CCC3)cc1 ZINC000151115917 1086929813 /nfs/dbraw/zinc/92/98/13/1086929813.db2.gz CVWCGGLQOLKXOY-QGZVFWFLSA-N 2 2 352.507 4.372 20 0 FIADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CCCO2 ZINC000151315686 1087086905 /nfs/dbraw/zinc/08/69/05/1087086905.db2.gz NJOKFKNRDUSNPP-FQEVSTJZSA-N 2 2 351.425 4.074 20 0 FIADLP COc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c(F)c1 ZINC000584236165 1087230236 /nfs/dbraw/zinc/23/02/36/1087230236.db2.gz VMZJKSITQSZCJF-NRFANRHFSA-N 2 2 353.441 4.179 20 0 FIADLP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961394 1087288785 /nfs/dbraw/zinc/28/87/85/1087288785.db2.gz ABHPYDGKEKGEIR-JSGCOSHPSA-N 2 2 357.845 4.054 20 0 FIADLP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961394 1087288793 /nfs/dbraw/zinc/28/87/93/1087288793.db2.gz ABHPYDGKEKGEIR-JSGCOSHPSA-N 2 2 357.845 4.054 20 0 FIADLP c1sc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)nc1C1CCCCC1 ZINC000090046564 1087400948 /nfs/dbraw/zinc/40/09/48/1087400948.db2.gz BHTHSQCFYMUMJS-UHFFFAOYSA-N 2 2 370.566 4.387 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1c(C)noc1C ZINC000090886039 1087410618 /nfs/dbraw/zinc/41/06/18/1087410618.db2.gz NILHHXKZTKYHLY-FQEVSTJZSA-N 2 2 359.489 4.178 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1c(C)noc1C ZINC000090886040 1087410809 /nfs/dbraw/zinc/41/08/09/1087410809.db2.gz NILHHXKZTKYHLY-HXUWFJFHSA-N 2 2 359.489 4.178 20 0 FIADLP Clc1ccccc1C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000685662272 1087667746 /nfs/dbraw/zinc/66/77/46/1087667746.db2.gz FQIDINNPHJAOFY-FXAWDEMLSA-N 2 2 351.881 4.494 20 0 FIADLP Fc1ccc(C(C[NH2+]CCCCn2cc[nH+]c2)c2ccc(F)cc2)cc1 ZINC000548852754 1087668990 /nfs/dbraw/zinc/66/89/90/1087668990.db2.gz ZIRFHQGEFDDRGH-UHFFFAOYSA-N 2 2 355.432 4.363 20 0 FIADLP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000657978325 1087687820 /nfs/dbraw/zinc/68/78/20/1087687820.db2.gz BOEJXIJRIBKAIY-YPMHNXCESA-N 2 2 357.807 4.091 20 0 FIADLP COc1cccc(OC)c1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000658119814 1087729160 /nfs/dbraw/zinc/72/91/60/1087729160.db2.gz QAWZWBDJCCCGBD-OAHLLOKOSA-N 2 2 351.450 4.049 20 0 FIADLP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1cccc(OC)c1 ZINC000658165575 1087762383 /nfs/dbraw/zinc/76/23/83/1087762383.db2.gz RUQDEXBFXXHOQS-ZNLUXHQJSA-N 2 2 360.542 4.015 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)CC[N@@H+]1C ZINC000180684851 1088012182 /nfs/dbraw/zinc/01/21/82/1088012182.db2.gz MAUXBKMVHCGRAW-OAOOKAIFSA-N 2 2 350.506 4.173 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)CC[N@H+]1C ZINC000180684851 1088012196 /nfs/dbraw/zinc/01/21/96/1088012196.db2.gz MAUXBKMVHCGRAW-OAOOKAIFSA-N 2 2 350.506 4.173 20 0 FIADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(Cl)c(Br)c2)CC1 ZINC000472604639 1088069917 /nfs/dbraw/zinc/06/99/17/1088069917.db2.gz YZSHYNJLHAYLQD-UHFFFAOYSA-N 2 2 357.723 4.163 20 0 FIADLP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(Cl)c(Br)c2)CC1 ZINC000472604639 1088069931 /nfs/dbraw/zinc/06/99/31/1088069931.db2.gz YZSHYNJLHAYLQD-UHFFFAOYSA-N 2 2 357.723 4.163 20 0 FIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000030909815 1088157396 /nfs/dbraw/zinc/15/73/96/1088157396.db2.gz VDZNMNJEGHZZFQ-CYBMUJFWSA-N 2 2 360.255 4.084 20 0 FIADLP Clc1ccc(Cl)c(-c2csc(C[NH2+]C[C@H]3CCC[NH2+]C3)n2)c1 ZINC000414836957 1088405792 /nfs/dbraw/zinc/40/57/92/1088405792.db2.gz VFFFKJUUHOVSQY-NSHDSACASA-N 2 2 356.322 4.206 20 0 FIADLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504042 1088684944 /nfs/dbraw/zinc/68/49/44/1088684944.db2.gz RTALGWKULMKDBV-UTKZUKDTSA-N 2 2 355.913 4.176 20 0 FIADLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504042 1088684946 /nfs/dbraw/zinc/68/49/46/1088684946.db2.gz RTALGWKULMKDBV-UTKZUKDTSA-N 2 2 355.913 4.176 20 0 FIADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504042 1088684949 /nfs/dbraw/zinc/68/49/49/1088684949.db2.gz RTALGWKULMKDBV-UTKZUKDTSA-N 2 2 355.913 4.176 20 0 FIADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504042 1088684953 /nfs/dbraw/zinc/68/49/53/1088684953.db2.gz RTALGWKULMKDBV-UTKZUKDTSA-N 2 2 355.913 4.176 20 0 FIADLP c1c[nH]c([C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C2CCCCC2)n1 ZINC000514084189 1088726173 /nfs/dbraw/zinc/72/61/73/1088726173.db2.gz OOVCNCVUBLNPOS-OAQYLSRUSA-N 2 2 352.526 4.069 20 0 FIADLP c1c[nH]c([C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C2CCCCC2)n1 ZINC000514084189 1088726187 /nfs/dbraw/zinc/72/61/87/1088726187.db2.gz OOVCNCVUBLNPOS-OAQYLSRUSA-N 2 2 352.526 4.069 20 0 FIADLP CC(C)C[C@@H]([NH3+])c1noc([C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000414617337 1088902852 /nfs/dbraw/zinc/90/28/52/1088902852.db2.gz LFHWJPGEFDHTHM-DOTOQJQBSA-N 2 2 357.502 4.090 20 0 FIADLP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000236633195 1088975005 /nfs/dbraw/zinc/97/50/05/1088975005.db2.gz HZVZFXDRZGNTBE-INIZCTEOSA-N 2 2 360.933 4.081 20 0 FIADLP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000236633195 1088975009 /nfs/dbraw/zinc/97/50/09/1088975009.db2.gz HZVZFXDRZGNTBE-INIZCTEOSA-N 2 2 360.933 4.081 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H](C)c2cccc(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434727441 1088976685 /nfs/dbraw/zinc/97/66/85/1088976685.db2.gz FXXHZHGWKIOTJW-PLMTUMEDSA-N 2 2 358.505 4.025 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H](C)c2cccc(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434727441 1088976688 /nfs/dbraw/zinc/97/66/88/1088976688.db2.gz FXXHZHGWKIOTJW-PLMTUMEDSA-N 2 2 358.505 4.025 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H](C)c2cccc(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434727441 1088976689 /nfs/dbraw/zinc/97/66/89/1088976689.db2.gz FXXHZHGWKIOTJW-PLMTUMEDSA-N 2 2 358.505 4.025 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H](C)c2cccc(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434727441 1088976692 /nfs/dbraw/zinc/97/66/92/1088976692.db2.gz FXXHZHGWKIOTJW-PLMTUMEDSA-N 2 2 358.505 4.025 20 0 FIADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414856354 1089070492 /nfs/dbraw/zinc/07/04/92/1089070492.db2.gz YPWSMIIPJPJRGY-QGZVFWFLSA-N 2 2 359.901 4.055 20 0 FIADLP Clc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000415060822 1089109268 /nfs/dbraw/zinc/10/92/68/1089109268.db2.gz YXGKIUHMSSGNHY-MAUKXSAKSA-N 2 2 361.942 4.428 20 0 FIADLP Clc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000415060822 1089109282 /nfs/dbraw/zinc/10/92/82/1089109282.db2.gz YXGKIUHMSSGNHY-MAUKXSAKSA-N 2 2 361.942 4.428 20 0 FIADLP Cc1ccc([C@@]2(C)CC[NH+](Cc3nc4c(s3)C[N@H+](C(C)C)CC4)C2)cc1 ZINC000435037210 1089212366 /nfs/dbraw/zinc/21/23/66/1089212366.db2.gz NPEIXFBVCLGZIE-QFIPXVFZSA-N 2 2 369.578 4.382 20 0 FIADLP Cc1ccc([C@@]2(C)CC[NH+](Cc3nc4c(s3)C[N@@H+](C(C)C)CC4)C2)cc1 ZINC000435037210 1089212379 /nfs/dbraw/zinc/21/23/79/1089212379.db2.gz NPEIXFBVCLGZIE-QFIPXVFZSA-N 2 2 369.578 4.382 20 0 FIADLP Cc1ccc([C@@]2(C)CC[N@@H+](Cc3nc4c(s3)C[NH+](C(C)C)CC4)C2)cc1 ZINC000435037210 1089212386 /nfs/dbraw/zinc/21/23/86/1089212386.db2.gz NPEIXFBVCLGZIE-QFIPXVFZSA-N 2 2 369.578 4.382 20 0 FIADLP Cc1ccc([C@@]2(C)CC[N@H+](Cc3nc4c(s3)C[NH+](C(C)C)CC4)C2)cc1 ZINC000435037210 1089212395 /nfs/dbraw/zinc/21/23/95/1089212395.db2.gz NPEIXFBVCLGZIE-QFIPXVFZSA-N 2 2 369.578 4.382 20 0 FIADLP Fc1ccc(/C=C\C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(F)c1 ZINC000435058956 1089247256 /nfs/dbraw/zinc/24/72/56/1089247256.db2.gz GLDTUKZOBLNYDX-ARJAWSKDSA-N 2 2 357.448 4.390 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000435136610 1089320030 /nfs/dbraw/zinc/32/00/30/1089320030.db2.gz FKVUIGHNGURTTQ-IEBWSBKVSA-N 2 2 364.493 4.155 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)CC[N@H+]1Cc1ccccc1 ZINC000435136610 1089320048 /nfs/dbraw/zinc/32/00/48/1089320048.db2.gz FKVUIGHNGURTTQ-IEBWSBKVSA-N 2 2 364.493 4.155 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)CC[NH+]1Cc1ccccc1 ZINC000435136610 1089320064 /nfs/dbraw/zinc/32/00/64/1089320064.db2.gz FKVUIGHNGURTTQ-IEBWSBKVSA-N 2 2 364.493 4.155 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)CC[NH+]1Cc1ccccc1 ZINC000435136610 1089320079 /nfs/dbraw/zinc/32/00/79/1089320079.db2.gz FKVUIGHNGURTTQ-IEBWSBKVSA-N 2 2 364.493 4.155 20 0 FIADLP Fc1ccc2oc(C[N@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)cc2c1 ZINC000435371951 1089581284 /nfs/dbraw/zinc/58/12/84/1089581284.db2.gz PDZKVNMESKXQBE-LJQANCHMSA-N 2 2 353.441 4.111 20 0 FIADLP Fc1ccc2oc(C[N@@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)cc2c1 ZINC000435371951 1089581297 /nfs/dbraw/zinc/58/12/97/1089581297.db2.gz PDZKVNMESKXQBE-LJQANCHMSA-N 2 2 353.441 4.111 20 0 FIADLP FC(F)(F)c1ccccc1C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435392832 1089600473 /nfs/dbraw/zinc/60/04/73/1089600473.db2.gz YCKURAFWKOTRBW-GOSISDBHSA-N 2 2 363.427 4.245 20 0 FIADLP FC(F)(F)c1ccccc1C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435392832 1089600478 /nfs/dbraw/zinc/60/04/78/1089600478.db2.gz YCKURAFWKOTRBW-GOSISDBHSA-N 2 2 363.427 4.245 20 0 FIADLP CCSc1cccc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000435424543 1089640041 /nfs/dbraw/zinc/64/00/41/1089640041.db2.gz AGVRURKKMNCQQX-QGZVFWFLSA-N 2 2 361.580 4.175 20 0 FIADLP CCSc1cccc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000435424543 1089640045 /nfs/dbraw/zinc/64/00/45/1089640045.db2.gz AGVRURKKMNCQQX-QGZVFWFLSA-N 2 2 361.580 4.175 20 0 FIADLP Cc1ncsc1C[N@H+](Cc1c(C)oc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC000435435271 1089658630 /nfs/dbraw/zinc/65/86/30/1089658630.db2.gz ATTBFKKZZDFZNG-MRXNPFEDSA-N 2 2 355.507 4.118 20 0 FIADLP Cc1ncsc1C[N@@H+](Cc1c(C)oc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC000435435271 1089658642 /nfs/dbraw/zinc/65/86/42/1089658642.db2.gz ATTBFKKZZDFZNG-MRXNPFEDSA-N 2 2 355.507 4.118 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(-c4ccccn4)nc3)C2)CC1 ZINC000425392526 1089738133 /nfs/dbraw/zinc/73/81/33/1089738133.db2.gz BGUVFRSYEUCOMM-OAQYLSRUSA-N 2 2 364.537 4.088 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(-c4ccccn4)nc3)C2)CC1 ZINC000425392526 1089738146 /nfs/dbraw/zinc/73/81/46/1089738146.db2.gz BGUVFRSYEUCOMM-OAQYLSRUSA-N 2 2 364.537 4.088 20 0 FIADLP Cc1cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c2c(n1)CCCC2 ZINC000893078206 1089811059 /nfs/dbraw/zinc/81/10/59/1089811059.db2.gz CKKKHFNDIAWEMF-QFIPXVFZSA-N 2 2 360.505 4.076 20 0 FIADLP Brc1cccc2c(C[NH2+]CCCCn3cc[nH+]c3)csc21 ZINC000582073884 1090475950 /nfs/dbraw/zinc/47/59/50/1090475950.db2.gz TVRVZXAGXBJKQF-UHFFFAOYSA-N 2 2 364.312 4.430 20 0 FIADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000185224889 1090522273 /nfs/dbraw/zinc/52/22/73/1090522273.db2.gz QQDZUAZDJIMINE-CYBMUJFWSA-N 2 2 355.320 4.070 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417309580 1090802185 /nfs/dbraw/zinc/80/21/85/1090802185.db2.gz JQJZOAZKAWWJCC-ACZWYYKOSA-N 2 2 355.551 4.450 20 0 FIADLP CC1(C)C[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CO1 ZINC000417911871 1090992248 /nfs/dbraw/zinc/99/22/48/1090992248.db2.gz NMAYMDUEAUGSPK-OAQYLSRUSA-N 2 2 361.489 4.256 20 0 FIADLP CCC[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccccn1 ZINC000500625221 1092295813 /nfs/dbraw/zinc/29/58/13/1092295813.db2.gz RMRCKUIODAJWLD-QFIPXVFZSA-N 2 2 366.553 4.033 20 0 FIADLP COCCC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000442781541 1092760529 /nfs/dbraw/zinc/76/05/29/1092760529.db2.gz OIZOBRWSDMIFAE-NRFANRHFSA-N 2 2 353.441 4.269 20 0 FIADLP c1cn(Cc2ccc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)cc2)c[nH+]1 ZINC000152111718 1093005996 /nfs/dbraw/zinc/00/59/96/1093005996.db2.gz RNTDRZOGGFTSPD-NRFANRHFSA-N 2 2 359.473 4.468 20 0 FIADLP CC(C)Cc1ccc(C(=O)C2CC[NH+](CCCc3c[nH+]cn3C)CC2)cc1 ZINC000522010864 1093034606 /nfs/dbraw/zinc/03/46/06/1093034606.db2.gz GLFIFHQNHNETAQ-UHFFFAOYSA-N 2 2 367.537 4.146 20 0 FIADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CCC(F)(F)CC1 ZINC000474072951 1093187064 /nfs/dbraw/zinc/18/70/64/1093187064.db2.gz LMUNDFHFFJKRCB-GOSISDBHSA-N 2 2 365.512 4.002 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccc(Cl)cc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168023848 1093367953 /nfs/dbraw/zinc/36/79/53/1093367953.db2.gz YIXZBYDNGHRJQH-WOSNLTMFSA-N 2 2 372.940 4.405 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccc(Cl)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023848 1093367964 /nfs/dbraw/zinc/36/79/64/1093367964.db2.gz YIXZBYDNGHRJQH-WOSNLTMFSA-N 2 2 372.940 4.405 20 0 FIADLP COc1cccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1F ZINC001168024393 1093391144 /nfs/dbraw/zinc/39/11/44/1093391144.db2.gz FYXZFBZJIKTBAH-IAGOWNOFSA-N 2 2 356.485 4.366 20 0 FIADLP Cc1[nH+]cc(CNc2cccc3c2OCC[C@@H]3[NH+](C)C)n1-c1ccccc1 ZINC000433190776 1093393396 /nfs/dbraw/zinc/39/33/96/1093393396.db2.gz RRATVTJUEPUMCQ-NRFANRHFSA-N 2 2 362.477 4.178 20 0 FIADLP CCOc1ccnc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001168025039 1093427243 /nfs/dbraw/zinc/42/72/43/1093427243.db2.gz AWSSECCFNDIAQA-QZTJIDSGSA-N 2 2 353.510 4.012 20 0 FIADLP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCC[C@@H]4C)C3)cnc21 ZINC000113934826 1093514936 /nfs/dbraw/zinc/51/49/36/1093514936.db2.gz YNPGLJAHBBXFRH-RBUKOAKNSA-N 2 2 369.557 4.099 20 0 FIADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H](C[NH+]4CCCC[C@@H]4C)C3)cnc21 ZINC000113934826 1093514940 /nfs/dbraw/zinc/51/49/40/1093514940.db2.gz YNPGLJAHBBXFRH-RBUKOAKNSA-N 2 2 369.557 4.099 20 0 FIADLP CC(C)n1ncc2cc(C[NH+]3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)cnc21 ZINC000113934826 1093514948 /nfs/dbraw/zinc/51/49/48/1093514948.db2.gz YNPGLJAHBBXFRH-RBUKOAKNSA-N 2 2 369.557 4.099 20 0 FIADLP CC(C)n1ncc2cc(C[NH+]3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)cnc21 ZINC000113934826 1093514955 /nfs/dbraw/zinc/51/49/55/1093514955.db2.gz YNPGLJAHBBXFRH-RBUKOAKNSA-N 2 2 369.557 4.099 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C[C@@H]3CCc4ccccc43)C2)CC1 ZINC000894141883 1093619829 /nfs/dbraw/zinc/61/98/29/1093619829.db2.gz MYPWMVLVXJYFAS-ZLPCBKJTSA-N 2 2 352.444 4.111 20 0 FIADLP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccco1 ZINC000513078919 1093780261 /nfs/dbraw/zinc/78/02/61/1093780261.db2.gz XNNNSPANOYARGD-ILWGZMRPSA-N 2 2 369.553 4.305 20 0 FIADLP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccco1 ZINC000513078919 1093780263 /nfs/dbraw/zinc/78/02/63/1093780263.db2.gz XNNNSPANOYARGD-ILWGZMRPSA-N 2 2 369.553 4.305 20 0 FIADLP CC(C)Oc1ccnc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001168035255 1093805408 /nfs/dbraw/zinc/80/54/08/1093805408.db2.gz RZHZSNDDDORYRC-RTBURBONSA-N 2 2 367.537 4.400 20 0 FIADLP COCc1ccccc1/C=C(/C)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000513285777 1094046504 /nfs/dbraw/zinc/04/65/04/1094046504.db2.gz CYDHYOXEZHTNTN-JXAWBTAJSA-N 2 2 366.505 4.483 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2coc3ccccc23)[C@@H]1c1cnn(C)c1 ZINC000434018991 1094240710 /nfs/dbraw/zinc/24/07/10/1094240710.db2.gz URLDTNTVMYGHAW-HTAPYJJXSA-N 2 2 366.509 4.071 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2coc3ccccc23)[C@@H]1c1cnn(C)c1 ZINC000434018991 1094240714 /nfs/dbraw/zinc/24/07/14/1094240714.db2.gz URLDTNTVMYGHAW-HTAPYJJXSA-N 2 2 366.509 4.071 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2coc3ccccc23)[C@@H]1c1cnn(C)c1 ZINC000434018991 1094240716 /nfs/dbraw/zinc/24/07/16/1094240716.db2.gz URLDTNTVMYGHAW-HTAPYJJXSA-N 2 2 366.509 4.071 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2coc3ccccc23)[C@@H]1c1cnn(C)c1 ZINC000434018991 1094240718 /nfs/dbraw/zinc/24/07/18/1094240718.db2.gz URLDTNTVMYGHAW-HTAPYJJXSA-N 2 2 366.509 4.071 20 0 FIADLP C[N@@H+](Cc1cc2ccccc2s1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434020749 1094241636 /nfs/dbraw/zinc/24/16/36/1094241636.db2.gz IBDQDZNIIUBJIN-RXVVDRJESA-N 2 2 351.519 4.421 20 0 FIADLP C[N@H+](Cc1cc2ccccc2s1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434020749 1094241639 /nfs/dbraw/zinc/24/16/39/1094241639.db2.gz IBDQDZNIIUBJIN-RXVVDRJESA-N 2 2 351.519 4.421 20 0 FIADLP C[NH+](Cc1cc2ccccc2s1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434020749 1094241641 /nfs/dbraw/zinc/24/16/41/1094241641.db2.gz IBDQDZNIIUBJIN-RXVVDRJESA-N 2 2 351.519 4.421 20 0 FIADLP C[NH+](Cc1cc2ccccc2s1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434020749 1094241643 /nfs/dbraw/zinc/24/16/43/1094241643.db2.gz IBDQDZNIIUBJIN-RXVVDRJESA-N 2 2 351.519 4.421 20 0 FIADLP C[C@H]1CC([NH2+]C2CC[NH+](CC3CCC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168037272 1094360803 /nfs/dbraw/zinc/36/08/03/1094360803.db2.gz XHECMJQMRBQWGF-PMACEKPBSA-N 3 2 369.597 4.282 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3ccccn23)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041790 1094622209 /nfs/dbraw/zinc/62/22/09/1094622209.db2.gz VMESGEQSWUTXHF-CEQLMSFQSA-N 2 2 362.521 4.208 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3ccccn23)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041790 1094622213 /nfs/dbraw/zinc/62/22/13/1094622213.db2.gz VMESGEQSWUTXHF-CEQLMSFQSA-N 2 2 362.521 4.208 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc3ccccn23)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041790 1094622219 /nfs/dbraw/zinc/62/22/19/1094622219.db2.gz VMESGEQSWUTXHF-CEQLMSFQSA-N 2 2 362.521 4.208 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc3ccccn23)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041790 1094622224 /nfs/dbraw/zinc/62/22/24/1094622224.db2.gz VMESGEQSWUTXHF-CEQLMSFQSA-N 2 2 362.521 4.208 20 0 FIADLP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000474805189 1094642240 /nfs/dbraw/zinc/64/22/40/1094642240.db2.gz SYESUEVFIBRBMU-RBBKRZOGSA-N 2 2 374.532 4.323 20 0 FIADLP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000474805189 1094642253 /nfs/dbraw/zinc/64/22/53/1094642253.db2.gz SYESUEVFIBRBMU-RBBKRZOGSA-N 2 2 374.532 4.323 20 0 FIADLP c1sc(-c2ccccc2)nc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000210291368 1094950274 /nfs/dbraw/zinc/95/02/74/1094950274.db2.gz UIRIJSKPTMDRCG-LJQANCHMSA-N 2 2 363.530 4.422 20 0 FIADLP c1sc(-c2ccccc2)nc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000210291368 1094950275 /nfs/dbraw/zinc/95/02/75/1094950275.db2.gz UIRIJSKPTMDRCG-LJQANCHMSA-N 2 2 363.530 4.422 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000502054516 1095074138 /nfs/dbraw/zinc/07/41/38/1095074138.db2.gz SFYQLHDSFJDTRD-RYRKJORJSA-N 2 2 355.551 4.193 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000502054516 1095074143 /nfs/dbraw/zinc/07/41/43/1095074143.db2.gz SFYQLHDSFJDTRD-RYRKJORJSA-N 2 2 355.551 4.193 20 0 FIADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000522545275 1095109057 /nfs/dbraw/zinc/10/90/57/1095109057.db2.gz KAUHOYODFPWNEE-BLLLJJGKSA-N 2 2 374.356 4.276 20 0 FIADLP Cc1cc(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc(C)[nH+]1 ZINC000421095297 1095325125 /nfs/dbraw/zinc/32/51/25/1095325125.db2.gz PAQVAAMQUICWMP-UHFFFAOYSA-N 2 2 366.509 4.049 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3ccccc3OCC3CC3)C2)n2c1CCCC2 ZINC000502306198 1095329263 /nfs/dbraw/zinc/32/92/63/1095329263.db2.gz ZRYITSUITZCPOK-FQEVSTJZSA-N 2 2 365.521 4.388 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3ccccc3OCC3CC3)C2)n2c1CCCC2 ZINC000502306198 1095329274 /nfs/dbraw/zinc/32/92/74/1095329274.db2.gz ZRYITSUITZCPOK-FQEVSTJZSA-N 2 2 365.521 4.388 20 0 FIADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502320830 1095345261 /nfs/dbraw/zinc/34/52/61/1095345261.db2.gz MSZVXGAOTFVCBD-LJQANCHMSA-N 2 2 353.510 4.386 20 0 FIADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502320830 1095345273 /nfs/dbraw/zinc/34/52/73/1095345273.db2.gz MSZVXGAOTFVCBD-LJQANCHMSA-N 2 2 353.510 4.386 20 0 FIADLP Cc1ccc2cc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)ccc2n1 ZINC000502307736 1095357229 /nfs/dbraw/zinc/35/72/29/1095357229.db2.gz FSWLRVOKIVJOCW-HXUWFJFHSA-N 2 2 360.505 4.456 20 0 FIADLP Cc1ccc2cc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)ccc2n1 ZINC000502307736 1095357247 /nfs/dbraw/zinc/35/72/47/1095357247.db2.gz FSWLRVOKIVJOCW-HXUWFJFHSA-N 2 2 360.505 4.456 20 0 FIADLP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)sc2C1 ZINC000502337302 1095373143 /nfs/dbraw/zinc/37/31/43/1095373143.db2.gz XDRQHYIXVLRCLM-HZPDHXFCSA-N 2 2 370.566 4.180 20 0 FIADLP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)sc2C1 ZINC000502337302 1095373159 /nfs/dbraw/zinc/37/31/59/1095373159.db2.gz XDRQHYIXVLRCLM-HZPDHXFCSA-N 2 2 370.566 4.180 20 0 FIADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)oc1C ZINC000502427310 1095464627 /nfs/dbraw/zinc/46/46/27/1095464627.db2.gz AODJONVIWSTELZ-BZSNNMDCSA-N 2 2 356.510 4.356 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000502452295 1095474121 /nfs/dbraw/zinc/47/41/21/1095474121.db2.gz MQNABGFOLVBXET-ZWKOTPCHSA-N 2 2 367.541 4.269 20 0 FIADLP C[C@H](CC[NH2+]Cc1cnc(C(F)(F)F)s1)[N@H+](C)Cc1ccccc1 ZINC000443997218 1095584721 /nfs/dbraw/zinc/58/47/21/1095584721.db2.gz LYWXPUYOCBLTQS-CYBMUJFWSA-N 2 2 357.445 4.162 20 0 FIADLP C[C@H](CC[NH2+]Cc1cnc(C(F)(F)F)s1)[N@@H+](C)Cc1ccccc1 ZINC000443997218 1095584732 /nfs/dbraw/zinc/58/47/32/1095584732.db2.gz LYWXPUYOCBLTQS-CYBMUJFWSA-N 2 2 357.445 4.162 20 0 FIADLP C[C@@H](CC[NH2+]Cc1cnc(C(F)(F)F)s1)[N@H+](C)Cc1ccccc1 ZINC000443997220 1095584805 /nfs/dbraw/zinc/58/48/05/1095584805.db2.gz LYWXPUYOCBLTQS-ZDUSSCGKSA-N 2 2 357.445 4.162 20 0 FIADLP C[C@@H](CC[NH2+]Cc1cnc(C(F)(F)F)s1)[N@@H+](C)Cc1ccccc1 ZINC000443997220 1095584815 /nfs/dbraw/zinc/58/48/15/1095584815.db2.gz LYWXPUYOCBLTQS-ZDUSSCGKSA-N 2 2 357.445 4.162 20 0 FIADLP Cc1cc(CNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)cc(C)[nH+]1 ZINC000421574786 1095722722 /nfs/dbraw/zinc/72/27/22/1095722722.db2.gz HOBLAQSRTCBRFS-UHFFFAOYSA-N 2 2 373.500 4.260 20 0 FIADLP Cc1cc(CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)cc(C)[nH+]1 ZINC000421574786 1095722733 /nfs/dbraw/zinc/72/27/33/1095722733.db2.gz HOBLAQSRTCBRFS-UHFFFAOYSA-N 2 2 373.500 4.260 20 0 FIADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)nn1C ZINC000502707067 1095733800 /nfs/dbraw/zinc/73/38/00/1095733800.db2.gz JXZYBOSBXHGATB-ZIFCJYIRSA-N 2 2 354.542 4.057 20 0 FIADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1C ZINC000502707067 1095733812 /nfs/dbraw/zinc/73/38/12/1095733812.db2.gz JXZYBOSBXHGATB-ZIFCJYIRSA-N 2 2 354.542 4.057 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1C ZINC000272830133 1096216593 /nfs/dbraw/zinc/21/65/93/1096216593.db2.gz FEOGHPLLOIVZLA-MSOLQXFVSA-N 2 2 353.510 4.275 20 0 FIADLP COCC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503428738 1096395543 /nfs/dbraw/zinc/39/55/43/1096395543.db2.gz HWXRJOBXUYDVNE-CTNGQTDRSA-N 2 2 353.510 4.177 20 0 FIADLP COCC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503428738 1096395552 /nfs/dbraw/zinc/39/55/52/1096395552.db2.gz HWXRJOBXUYDVNE-CTNGQTDRSA-N 2 2 353.510 4.177 20 0 FIADLP Cc1c([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cnn1-c1ccc(F)cc1 ZINC000422784737 1096489822 /nfs/dbraw/zinc/48/98/22/1096489822.db2.gz OICXYPVBOJXITP-ZEWGMFERSA-N 2 2 350.441 4.115 20 0 FIADLP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)ccc1OCCC(C)C ZINC000422874203 1096517185 /nfs/dbraw/zinc/51/71/85/1096517185.db2.gz CGHOCCFIFXWWLT-PMACEKPBSA-N 2 2 354.494 4.355 20 0 FIADLP COc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)ccc1OC1CCCC1 ZINC000422947762 1096536773 /nfs/dbraw/zinc/53/67/73/1096536773.db2.gz YUYAVIIHKDOSGT-WOJBJXKFSA-N 2 2 352.478 4.251 20 0 FIADLP Fc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000423041704 1096558271 /nfs/dbraw/zinc/55/82/71/1096558271.db2.gz XSYFFOZBTHOQPQ-SFHVURJKSA-N 2 2 352.375 4.276 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423424675 1096670721 /nfs/dbraw/zinc/67/07/21/1096670721.db2.gz NJBACIVKHKDZGF-MGPUTAFESA-N 2 2 362.477 4.408 20 0 FIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423500560 1096699313 /nfs/dbraw/zinc/69/93/13/1096699313.db2.gz KLZCLZJCAFSUNR-HVETUWLQSA-N 2 2 356.485 4.145 20 0 FIADLP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000436056241 1098682093 /nfs/dbraw/zinc/68/20/93/1098682093.db2.gz SHVRXDGYWQIURJ-ZIAGYGMSSA-N 2 2 367.921 4.417 20 0 FIADLP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000436056241 1098682100 /nfs/dbraw/zinc/68/21/00/1098682100.db2.gz SHVRXDGYWQIURJ-ZIAGYGMSSA-N 2 2 367.921 4.417 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)o2)cc1C ZINC000245743994 1098709832 /nfs/dbraw/zinc/70/98/32/1098709832.db2.gz XTQJFHMABXIUDP-AYBZRNKSSA-N 2 2 365.481 4.194 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)o2)cc1C ZINC000245743994 1098709842 /nfs/dbraw/zinc/70/98/42/1098709842.db2.gz XTQJFHMABXIUDP-AYBZRNKSSA-N 2 2 365.481 4.194 20 0 FIADLP CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000533077775 1098746150 /nfs/dbraw/zinc/74/61/50/1098746150.db2.gz UUHCEUWJQRNHSD-SFHVURJKSA-N 2 2 352.507 4.401 20 0 FIADLP CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000533077775 1098746159 /nfs/dbraw/zinc/74/61/59/1098746159.db2.gz UUHCEUWJQRNHSD-SFHVURJKSA-N 2 2 352.507 4.401 20 0 FIADLP Cc1cc(C)c(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c(C)[nH+]1 ZINC000455495117 1099259643 /nfs/dbraw/zinc/25/96/43/1099259643.db2.gz NWZOMKAMWQBBED-UHFFFAOYSA-N 2 2 366.509 4.135 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(C)[nH+]1 ZINC000455492049 1099276715 /nfs/dbraw/zinc/27/67/15/1099276715.db2.gz YZKJKMQTAQOGCF-LJQANCHMSA-N 2 2 358.530 4.127 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c(C)[nH+]1 ZINC000455524485 1099300345 /nfs/dbraw/zinc/30/03/45/1099300345.db2.gz OLGAGWKKDQQMAO-FXAWDEMLSA-N 2 2 354.498 4.128 20 0 FIADLP Fc1ccc(-c2n[nH]cc2C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000516348210 1099397350 /nfs/dbraw/zinc/39/73/50/1099397350.db2.gz RJRXQWMUGHKELP-UHFFFAOYSA-N 2 2 367.472 4.105 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(Cl)c1F ZINC000161907878 1099552382 /nfs/dbraw/zinc/55/23/82/1099552382.db2.gz ROXKUHIGFIZBFD-OTWHNJEPSA-N 2 2 368.924 4.288 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)c3ccccc3)nc2)C[C@H]1C ZINC000437130469 1099648371 /nfs/dbraw/zinc/64/83/71/1099648371.db2.gz VVDJIHUIEPHNRQ-NQIIRXRSSA-N 2 2 352.526 4.154 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)c3ccccc3)nc2)C[C@H]1C ZINC000437130469 1099648375 /nfs/dbraw/zinc/64/83/75/1099648375.db2.gz VVDJIHUIEPHNRQ-NQIIRXRSSA-N 2 2 352.526 4.154 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)C[C@H]1C ZINC000437130469 1099648378 /nfs/dbraw/zinc/64/83/78/1099648378.db2.gz VVDJIHUIEPHNRQ-NQIIRXRSSA-N 2 2 352.526 4.154 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)C[C@H]1C ZINC000437130469 1099648381 /nfs/dbraw/zinc/64/83/81/1099648381.db2.gz VVDJIHUIEPHNRQ-NQIIRXRSSA-N 2 2 352.526 4.154 20 0 FIADLP C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508694146 1099827878 /nfs/dbraw/zinc/82/78/78/1099827878.db2.gz FDJLWAJBIRITMJ-MJGOQNOKSA-N 2 2 364.468 4.334 20 0 FIADLP C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508694146 1099827890 /nfs/dbraw/zinc/82/78/90/1099827890.db2.gz FDJLWAJBIRITMJ-MJGOQNOKSA-N 2 2 364.468 4.334 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508703638 1099856665 /nfs/dbraw/zinc/85/66/65/1099856665.db2.gz ZEWFWECILGOBCE-MIZPHKNDSA-N 3 2 374.532 4.434 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508703638 1099856674 /nfs/dbraw/zinc/85/66/74/1099856674.db2.gz ZEWFWECILGOBCE-MIZPHKNDSA-N 3 2 374.532 4.434 20 0 FIADLP CCc1ccc([C@H](COC)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000508721303 1099938735 /nfs/dbraw/zinc/93/87/35/1099938735.db2.gz PACWOISWEHCOHG-LMNJBCLMSA-N 2 2 356.510 4.030 20 0 FIADLP CCc1ccc([C@H](COC)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000508721303 1099938743 /nfs/dbraw/zinc/93/87/43/1099938743.db2.gz PACWOISWEHCOHG-LMNJBCLMSA-N 2 2 356.510 4.030 20 0 FIADLP CC[N@H+](Cc1cccs1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000536674289 1100161078 /nfs/dbraw/zinc/16/10/78/1100161078.db2.gz WQAGCDLOWKCTMC-UHFFFAOYSA-N 2 2 358.555 4.461 20 0 FIADLP CC[N@@H+](Cc1cccs1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000536674289 1100161081 /nfs/dbraw/zinc/16/10/81/1100161081.db2.gz WQAGCDLOWKCTMC-UHFFFAOYSA-N 2 2 358.555 4.461 20 0 FIADLP C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000459562227 1100301030 /nfs/dbraw/zinc/30/10/30/1100301030.db2.gz NQFSOOFLOMFTFQ-PDGUBNMISA-N 2 2 359.473 4.149 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@@H](C)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000437982456 1100347585 /nfs/dbraw/zinc/34/75/85/1100347585.db2.gz ZGCPFGOYZLHZQO-ZWCUEREDSA-N 2 2 372.532 4.068 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@@H](C)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000437982456 1100347596 /nfs/dbraw/zinc/34/75/96/1100347596.db2.gz ZGCPFGOYZLHZQO-ZWCUEREDSA-N 2 2 372.532 4.068 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@@H](C)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000437982456 1100347607 /nfs/dbraw/zinc/34/76/07/1100347607.db2.gz ZGCPFGOYZLHZQO-ZWCUEREDSA-N 2 2 372.532 4.068 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@@H](C)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000437982456 1100347617 /nfs/dbraw/zinc/34/76/17/1100347617.db2.gz ZGCPFGOYZLHZQO-ZWCUEREDSA-N 2 2 372.532 4.068 20 0 FIADLP C[C@@H](Cc1ccccc1Br)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000536842749 1100353940 /nfs/dbraw/zinc/35/39/40/1100353940.db2.gz AWAOYDGOABURPG-HNNXBMFYSA-N 2 2 374.326 4.034 20 0 FIADLP C[C@@H](C[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1)C[NH+](C)C ZINC000425945149 1100399814 /nfs/dbraw/zinc/39/98/14/1100399814.db2.gz PLGYMYUJLKFTNV-KSFYIVLOSA-N 2 2 351.469 4.251 20 0 FIADLP Clc1cccc([C@H](Cc2cccnc2)[NH2+]C[C@H]2CCCn3cc[nH+]c32)c1 ZINC000426027726 1100688849 /nfs/dbraw/zinc/68/88/49/1100688849.db2.gz CBWJHQXUBLOZMN-QUCCMNQESA-N 2 2 366.896 4.383 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(C(F)(F)F)n2)cc1 ZINC000294741648 1100985422 /nfs/dbraw/zinc/98/54/22/1100985422.db2.gz HFHJFKGUACYAAR-ZDUSSCGKSA-N 2 2 360.383 4.445 20 0 FIADLP Brc1ccc([C@H]([NH2+]CCCNc2cccc[nH+]2)C2CC2)s1 ZINC000439140031 1101195550 /nfs/dbraw/zinc/19/55/50/1101195550.db2.gz HCCGZKCKCAQZSQ-MRXNPFEDSA-N 2 2 366.328 4.449 20 0 FIADLP CCOc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000518542143 1101284382 /nfs/dbraw/zinc/28/43/82/1101284382.db2.gz LATLIOOBMDINAD-FXAWDEMLSA-N 2 2 371.550 4.173 20 0 FIADLP CCOc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000518542143 1101284387 /nfs/dbraw/zinc/28/43/87/1101284387.db2.gz LATLIOOBMDINAD-FXAWDEMLSA-N 2 2 371.550 4.173 20 0 FIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000518767577 1101526806 /nfs/dbraw/zinc/52/68/06/1101526806.db2.gz JBEGDPJZKVHUCK-MRXNPFEDSA-N 2 2 355.869 4.294 20 0 FIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000537203396 1101557708 /nfs/dbraw/zinc/55/77/08/1101557708.db2.gz ZTXDACVAZIXEOF-SFHVURJKSA-N 2 2 361.961 4.104 20 0 FIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000537203396 1101557717 /nfs/dbraw/zinc/55/77/17/1101557717.db2.gz ZTXDACVAZIXEOF-SFHVURJKSA-N 2 2 361.961 4.104 20 0 FIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000537203396 1101557727 /nfs/dbraw/zinc/55/77/27/1101557727.db2.gz ZTXDACVAZIXEOF-SFHVURJKSA-N 2 2 361.961 4.104 20 0 FIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000537203396 1101557736 /nfs/dbraw/zinc/55/77/36/1101557736.db2.gz ZTXDACVAZIXEOF-SFHVURJKSA-N 2 2 361.961 4.104 20 0 FIADLP CC[C@](C)(O)C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000439771222 1101766429 /nfs/dbraw/zinc/76/64/29/1101766429.db2.gz ZPFVYPZFWNEYAZ-FQEVSTJZSA-N 2 2 355.507 4.097 20 0 FIADLP CC[C@](C)(O)C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000439771222 1101766444 /nfs/dbraw/zinc/76/64/44/1101766444.db2.gz ZPFVYPZFWNEYAZ-FQEVSTJZSA-N 2 2 355.507 4.097 20 0 FIADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000760332153 1101921631 /nfs/dbraw/zinc/92/16/31/1101921631.db2.gz WWXYLHBAYBZBII-AEFFLSMTSA-N 2 2 369.336 4.214 20 0 FIADLP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537961625 1102297369 /nfs/dbraw/zinc/29/73/69/1102297369.db2.gz RKSFULZDAIMOQE-PKOBYXMFSA-N 2 2 364.468 4.331 20 0 FIADLP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)ccc1F ZINC000090667317 1102306641 /nfs/dbraw/zinc/30/66/41/1102306641.db2.gz YKOBLFYXMNFCDI-HOTGVXAUSA-N 2 2 357.473 4.106 20 0 FIADLP Cn1c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)nc2cc(Cl)ccc21 ZINC000550794444 1102321492 /nfs/dbraw/zinc/32/14/92/1102321492.db2.gz HBNXNOCCAWVVJJ-FXAWDEMLSA-N 2 2 368.912 4.152 20 0 FIADLP Cn1c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)nc2cc(Cl)ccc21 ZINC000550794444 1102321505 /nfs/dbraw/zinc/32/15/05/1102321505.db2.gz HBNXNOCCAWVVJJ-FXAWDEMLSA-N 2 2 368.912 4.152 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000532441726 1102330385 /nfs/dbraw/zinc/33/03/85/1102330385.db2.gz FHAKPWRZKLRPMI-HJNYFJLDSA-N 2 2 367.537 4.059 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000532441726 1102330398 /nfs/dbraw/zinc/33/03/98/1102330398.db2.gz FHAKPWRZKLRPMI-HJNYFJLDSA-N 2 2 367.537 4.059 20 0 FIADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000303774630 1102560887 /nfs/dbraw/zinc/56/08/87/1102560887.db2.gz RHNIRLLFGFTKTD-XLIONFOSSA-N 2 2 356.485 4.319 20 0 FIADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000303774630 1102560894 /nfs/dbraw/zinc/56/08/94/1102560894.db2.gz RHNIRLLFGFTKTD-XLIONFOSSA-N 2 2 356.485 4.319 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000303774630 1102560905 /nfs/dbraw/zinc/56/09/05/1102560905.db2.gz RHNIRLLFGFTKTD-XLIONFOSSA-N 2 2 356.485 4.319 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000303774630 1102560916 /nfs/dbraw/zinc/56/09/16/1102560916.db2.gz RHNIRLLFGFTKTD-XLIONFOSSA-N 2 2 356.485 4.319 20 0 FIADLP Cc1nc([C@H](C)[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000664839363 1102736688 /nfs/dbraw/zinc/73/66/88/1102736688.db2.gz YKNQGOAOYVYUPI-JXFKEZNVSA-N 2 2 368.525 4.062 20 0 FIADLP Cc1nc([C@H](C)[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000664839363 1102736703 /nfs/dbraw/zinc/73/67/03/1102736703.db2.gz YKNQGOAOYVYUPI-JXFKEZNVSA-N 2 2 368.525 4.062 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC2CC2)C[C@@H]1c1ccccc1 ZINC000551051005 1102864271 /nfs/dbraw/zinc/86/42/71/1102864271.db2.gz MFANXCOBLBXERG-FGZHOGPDSA-N 2 2 350.506 4.401 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC2CC2)C[C@@H]1c1ccccc1 ZINC000551051005 1102864287 /nfs/dbraw/zinc/86/42/87/1102864287.db2.gz MFANXCOBLBXERG-FGZHOGPDSA-N 2 2 350.506 4.401 20 0 FIADLP Cc1cc(N2CCSCC2)ccc1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459344198 1102870486 /nfs/dbraw/zinc/87/04/86/1102870486.db2.gz BBPHKNCEJHMZEF-UHFFFAOYSA-N 2 2 368.550 4.024 20 0 FIADLP CCOc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC000459372430 1102943560 /nfs/dbraw/zinc/94/35/60/1102943560.db2.gz KZILUMSKLFNIRZ-HSZRJFAPSA-N 2 2 350.506 4.391 20 0 FIADLP COc1ncc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1Cl ZINC000551532852 1103333834 /nfs/dbraw/zinc/33/38/34/1103333834.db2.gz HFQKZPNKFKFBFV-GJYPPUQNSA-N 2 2 373.928 4.447 20 0 FIADLP COc1ncc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1Cl ZINC000551532852 1103333845 /nfs/dbraw/zinc/33/38/45/1103333845.db2.gz HFQKZPNKFKFBFV-GJYPPUQNSA-N 2 2 373.928 4.447 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000507461883 1103407294 /nfs/dbraw/zinc/40/72/94/1103407294.db2.gz NGNNPJYBADPYPS-GXTWGEPZSA-N 2 2 360.386 4.362 20 0 FIADLP Clc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000441459533 1104767387 /nfs/dbraw/zinc/76/73/87/1104767387.db2.gz BNOZNYNCDSPKBH-HNNXBMFYSA-N 2 2 357.325 4.180 20 0 FIADLP Clc1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000441459533 1104767389 /nfs/dbraw/zinc/76/73/89/1104767389.db2.gz BNOZNYNCDSPKBH-HNNXBMFYSA-N 2 2 357.325 4.180 20 0 FIADLP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1OCCC ZINC000427852280 1105295327 /nfs/dbraw/zinc/29/53/27/1105295327.db2.gz LUAPZARVOPOOKO-AEFFLSMTSA-N 2 2 357.498 4.126 20 0 FIADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(OC)cc1 ZINC000390648375 1106737339 /nfs/dbraw/zinc/73/73/39/1106737339.db2.gz IWDFIQIEAYUFNV-DHIUTWEWSA-N 2 2 368.521 4.027 20 0 FIADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(OC)cc1 ZINC000390648375 1106737347 /nfs/dbraw/zinc/73/73/47/1106737347.db2.gz IWDFIQIEAYUFNV-DHIUTWEWSA-N 2 2 368.521 4.027 20 0 FIADLP CC[C@H](Cc1ccccc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475351400 1106741473 /nfs/dbraw/zinc/74/14/73/1106741473.db2.gz GLOIRXVKPBIPSL-LMDPOFIKSA-N 2 2 354.460 4.403 20 0 FIADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475352083 1106746591 /nfs/dbraw/zinc/74/65/91/1106746591.db2.gz HRLCFZUASFRMTJ-NLNFPOJYSA-N 2 2 358.423 4.152 20 0 FIADLP CSc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390696288 1106750698 /nfs/dbraw/zinc/75/06/98/1106750698.db2.gz RPWLRPICABKNOB-GHTZIAJQSA-N 2 2 370.562 4.350 20 0 FIADLP CSc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390696288 1106750710 /nfs/dbraw/zinc/75/07/10/1106750710.db2.gz RPWLRPICABKNOB-GHTZIAJQSA-N 2 2 370.562 4.350 20 0 FIADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CS1 ZINC000475357868 1106758557 /nfs/dbraw/zinc/75/85/57/1106758557.db2.gz ZCFKVZQLFAFTLH-GRAKBVBRSA-N 2 2 364.521 4.302 20 0 FIADLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1Cl ZINC000450925992 1106818512 /nfs/dbraw/zinc/81/85/12/1106818512.db2.gz KFNMLIRVMDUPPB-INIZCTEOSA-N 2 2 359.901 4.261 20 0 FIADLP COc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1Cl ZINC000450925992 1106818526 /nfs/dbraw/zinc/81/85/26/1106818526.db2.gz KFNMLIRVMDUPPB-INIZCTEOSA-N 2 2 359.901 4.261 20 0 FIADLP Cc1cc(NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)nc(C)[nH+]1 ZINC000301091855 1106930876 /nfs/dbraw/zinc/93/08/76/1106930876.db2.gz NHNXVOGYSYNICD-UHFFFAOYSA-N 2 2 364.415 4.189 20 0 FIADLP C[N@@H+]1CCC[C@H](CNc2cc(N3CCCCC3)[nH+]cn2)[C@H]1c1cccs1 ZINC000301426688 1107026862 /nfs/dbraw/zinc/02/68/62/1107026862.db2.gz PDHVRBBPWGSWLQ-UZLBHIALSA-N 2 2 371.554 4.023 20 0 FIADLP C[N@H+]1CCC[C@H](CNc2cc(N3CCCCC3)[nH+]cn2)[C@H]1c1cccs1 ZINC000301426688 1107026878 /nfs/dbraw/zinc/02/68/78/1107026878.db2.gz PDHVRBBPWGSWLQ-UZLBHIALSA-N 2 2 371.554 4.023 20 0 FIADLP C[N@@H+]1CCC[C@H](CNc2cc(N3CCCCC3)nc[nH+]2)[C@H]1c1cccs1 ZINC000301426688 1107026885 /nfs/dbraw/zinc/02/68/85/1107026885.db2.gz PDHVRBBPWGSWLQ-UZLBHIALSA-N 2 2 371.554 4.023 20 0 FIADLP C[N@H+]1CCC[C@H](CNc2cc(N3CCCCC3)nc[nH+]2)[C@H]1c1cccs1 ZINC000301426688 1107026905 /nfs/dbraw/zinc/02/69/05/1107026905.db2.gz PDHVRBBPWGSWLQ-UZLBHIALSA-N 2 2 371.554 4.023 20 0 FIADLP C[C@@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C[C@H]1n1cc[nH+]c1 ZINC000301629084 1107093334 /nfs/dbraw/zinc/09/33/34/1107093334.db2.gz IBCHAPFVDCRZRE-FZKQIMNGSA-N 2 2 371.282 4.281 20 0 FIADLP COc1cc(C)c([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1C ZINC000544384296 1107201724 /nfs/dbraw/zinc/20/17/24/1107201724.db2.gz LFINPDMLJNUJJQ-PKOBYXMFSA-N 2 2 368.525 4.020 20 0 FIADLP CC(C)Cc1nsc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000302313823 1107355898 /nfs/dbraw/zinc/35/58/98/1107355898.db2.gz UDRSZJHBSWKRGM-UHFFFAOYSA-N 2 2 373.570 4.258 20 0 FIADLP COc1cccc2c(NC3CC[NH+](Cc4ccccn4)CC3)c(C)c[nH+]c12 ZINC000302591789 1107393575 /nfs/dbraw/zinc/39/35/75/1107393575.db2.gz AJQMSIFRHFUCFP-UHFFFAOYSA-N 2 2 362.477 4.023 20 0 FIADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000302688215 1107407976 /nfs/dbraw/zinc/40/79/76/1107407976.db2.gz YUMMLJOCVLKFJE-LPHOPBHVSA-N 2 2 351.494 4.005 20 0 FIADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000302688215 1107407982 /nfs/dbraw/zinc/40/79/82/1107407982.db2.gz YUMMLJOCVLKFJE-LPHOPBHVSA-N 2 2 351.494 4.005 20 0 FIADLP CCCOc1c(Cl)cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1OC ZINC000475555647 1107725624 /nfs/dbraw/zinc/72/56/24/1107725624.db2.gz XXWOPKAJHHBWAS-UHFFFAOYSA-N 2 2 366.933 4.244 20 0 FIADLP CCCc1nc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000428365927 1107967534 /nfs/dbraw/zinc/96/75/34/1107967534.db2.gz WGIOAOJTRPLWLT-SFTDATJTSA-N 2 2 367.537 4.422 20 0 FIADLP CCCc1nc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000428365927 1107967538 /nfs/dbraw/zinc/96/75/38/1107967538.db2.gz WGIOAOJTRPLWLT-SFTDATJTSA-N 2 2 367.537 4.422 20 0 FIADLP CCCc1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000428365927 1107967542 /nfs/dbraw/zinc/96/75/42/1107967542.db2.gz WGIOAOJTRPLWLT-SFTDATJTSA-N 2 2 367.537 4.422 20 0 FIADLP CCCc1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000428365927 1107967545 /nfs/dbraw/zinc/96/75/45/1107967545.db2.gz WGIOAOJTRPLWLT-SFTDATJTSA-N 2 2 367.537 4.422 20 0 FIADLP CCCc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000428365925 1107968157 /nfs/dbraw/zinc/96/81/57/1107968157.db2.gz WGIOAOJTRPLWLT-NHCUHLMSSA-N 2 2 367.537 4.422 20 0 FIADLP CCCc1nc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000428365925 1107968159 /nfs/dbraw/zinc/96/81/59/1107968159.db2.gz WGIOAOJTRPLWLT-NHCUHLMSSA-N 2 2 367.537 4.422 20 0 FIADLP CCCc1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000428365925 1107968160 /nfs/dbraw/zinc/96/81/60/1107968160.db2.gz WGIOAOJTRPLWLT-NHCUHLMSSA-N 2 2 367.537 4.422 20 0 FIADLP CCCc1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000428365925 1107968164 /nfs/dbraw/zinc/96/81/64/1107968164.db2.gz WGIOAOJTRPLWLT-NHCUHLMSSA-N 2 2 367.537 4.422 20 0 FIADLP CC[NH+](CC)[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000531677864 1108066802 /nfs/dbraw/zinc/06/68/02/1108066802.db2.gz IVDCWAFMDLMLJD-HSZRJFAPSA-N 2 2 351.538 4.328 20 0 FIADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000531735720 1108105080 /nfs/dbraw/zinc/10/50/80/1108105080.db2.gz WQGYSGNTMVLRAX-BFVZDQMLSA-N 2 2 367.267 4.413 20 0 FIADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000531735720 1108105087 /nfs/dbraw/zinc/10/50/87/1108105087.db2.gz WQGYSGNTMVLRAX-BFVZDQMLSA-N 2 2 367.267 4.413 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(Br)ccc1Cl)CCC2 ZINC000531759219 1108146288 /nfs/dbraw/zinc/14/62/88/1108146288.db2.gz KRQUQMMQRYEHIU-GFCCVEGCSA-N 2 2 368.706 4.275 20 0 FIADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)c1ccccc1N(C)C ZINC000453233149 1108307341 /nfs/dbraw/zinc/30/73/41/1108307341.db2.gz JPGJRIMFZZWFQL-HNNXBMFYSA-N 2 2 354.885 4.443 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000453250753 1108324192 /nfs/dbraw/zinc/32/41/92/1108324192.db2.gz YXNSIOYEABEDOD-YDFBLROQSA-N 2 2 371.475 4.237 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000453250753 1108324206 /nfs/dbraw/zinc/32/42/06/1108324206.db2.gz YXNSIOYEABEDOD-YDFBLROQSA-N 2 2 371.475 4.237 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453253437 1108325250 /nfs/dbraw/zinc/32/52/50/1108325250.db2.gz IERMHWUNLHHKNL-OPAMFIHVSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453253437 1108325268 /nfs/dbraw/zinc/32/52/68/1108325268.db2.gz IERMHWUNLHHKNL-OPAMFIHVSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000453258147 1108330481 /nfs/dbraw/zinc/33/04/81/1108330481.db2.gz AFNGRPMWNFOJTE-YJBOKZPZSA-N 2 2 363.427 4.101 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000453258147 1108330497 /nfs/dbraw/zinc/33/04/97/1108330497.db2.gz AFNGRPMWNFOJTE-YJBOKZPZSA-N 2 2 363.427 4.101 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC000453268926 1108344343 /nfs/dbraw/zinc/34/43/43/1108344343.db2.gz OVCHOCGCGVOMRR-LPHRJVMESA-N 2 2 363.549 4.466 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC000453268926 1108344357 /nfs/dbraw/zinc/34/43/57/1108344357.db2.gz OVCHOCGCGVOMRR-LPHRJVMESA-N 2 2 363.549 4.466 20 0 FIADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453321893 1108413644 /nfs/dbraw/zinc/41/36/44/1108413644.db2.gz HSSNZCGFHAKIJO-HCLVMJGWSA-N 2 2 371.569 4.414 20 0 FIADLP Cc1cc(NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)nc(C2CC2)[nH+]1 ZINC000523874408 1108622523 /nfs/dbraw/zinc/62/25/23/1108622523.db2.gz IJYKSSIBCZVBOS-QGZVFWFLSA-N 2 2 350.510 4.071 20 0 FIADLP Cc1cc(NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)nc(C2CC2)[nH+]1 ZINC000523874408 1108622526 /nfs/dbraw/zinc/62/25/26/1108622526.db2.gz IJYKSSIBCZVBOS-QGZVFWFLSA-N 2 2 350.510 4.071 20 0 FIADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000532196554 1108703487 /nfs/dbraw/zinc/70/34/87/1108703487.db2.gz ZMXIMESSVPVUFE-LJQANCHMSA-N 2 2 352.522 4.361 20 0 FIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)o1 ZINC000532210913 1108712399 /nfs/dbraw/zinc/71/23/99/1108712399.db2.gz DHMPQOFENDTCAJ-IERDGZPVSA-N 2 2 356.485 4.339 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000447079299 1109429589 /nfs/dbraw/zinc/42/95/89/1109429589.db2.gz YPIHTTGDKJUVLO-UHFFFAOYSA-N 2 2 366.383 4.174 20 0 FIADLP Cc1ccccc1C[C@@H](C)[NH+](C)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000447084975 1109431953 /nfs/dbraw/zinc/43/19/53/1109431953.db2.gz GXXFIFKZXUNMRK-QGZVFWFLSA-N 2 2 357.567 4.281 20 0 FIADLP Cc1ccccc1C[C@@H](C)[NH+](C)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000447084975 1109431958 /nfs/dbraw/zinc/43/19/58/1109431958.db2.gz GXXFIFKZXUNMRK-QGZVFWFLSA-N 2 2 357.567 4.281 20 0 FIADLP Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000447084975 1109431963 /nfs/dbraw/zinc/43/19/63/1109431963.db2.gz GXXFIFKZXUNMRK-QGZVFWFLSA-N 2 2 357.567 4.281 20 0 FIADLP Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000447084975 1109431973 /nfs/dbraw/zinc/43/19/73/1109431973.db2.gz GXXFIFKZXUNMRK-QGZVFWFLSA-N 2 2 357.567 4.281 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000447100246 1109442736 /nfs/dbraw/zinc/44/27/36/1109442736.db2.gz MBLZOUKVPDGYHE-UHFFFAOYSA-N 2 2 359.473 4.495 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447308652 1109501735 /nfs/dbraw/zinc/50/17/35/1109501735.db2.gz GNMGBJWZZPFCLP-OAHLLOKOSA-N 2 2 352.309 4.224 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447308652 1109501741 /nfs/dbraw/zinc/50/17/41/1109501741.db2.gz GNMGBJWZZPFCLP-OAHLLOKOSA-N 2 2 352.309 4.224 20 0 FIADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc21 ZINC000447529409 1109563346 /nfs/dbraw/zinc/56/33/46/1109563346.db2.gz LYWUEOSIAYFYIT-RPWUZVMVSA-N 2 2 364.533 4.493 20 0 FIADLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1csc(Cl)c1 ZINC000526049265 1109604010 /nfs/dbraw/zinc/60/40/10/1109604010.db2.gz XHHGMUVENXZKLF-CRAIPNDOSA-N 2 2 363.958 4.041 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000429723684 1109606248 /nfs/dbraw/zinc/60/62/48/1109606248.db2.gz KLXIEVWHIKXUHH-UHFFFAOYSA-N 2 2 366.383 4.332 20 0 FIADLP Fc1cccc(Cl)c1CCC[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000447823141 1109648850 /nfs/dbraw/zinc/64/88/50/1109648850.db2.gz SQSUPKFQOCGNDT-UHFFFAOYSA-N 2 2 357.860 4.446 20 0 FIADLP Cc1ccc(-c2nc(C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cs2)o1 ZINC000544421647 1109779802 /nfs/dbraw/zinc/77/98/02/1109779802.db2.gz NDCVVINHRSWLJO-HOTGVXAUSA-N 2 2 359.539 4.454 20 0 FIADLP Cc1ccc(-c2nc(C[NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cs2)o1 ZINC000544421647 1109779807 /nfs/dbraw/zinc/77/98/07/1109779807.db2.gz NDCVVINHRSWLJO-HOTGVXAUSA-N 2 2 359.539 4.454 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2CCc3ccccc3CC2)CC1 ZINC000527735641 1109813940 /nfs/dbraw/zinc/81/39/40/1109813940.db2.gz PVJQYOCRLDNXSQ-UHFFFAOYSA-N 2 2 354.460 4.188 20 0 FIADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527949352 1109867528 /nfs/dbraw/zinc/86/75/28/1109867528.db2.gz NAWNJCGEARVBNH-LAUBAEHRSA-N 2 2 372.557 4.274 20 0 FIADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527949352 1109867533 /nfs/dbraw/zinc/86/75/33/1109867533.db2.gz NAWNJCGEARVBNH-LAUBAEHRSA-N 2 2 372.557 4.274 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)[C@H](C)C1 ZINC000449027456 1109959102 /nfs/dbraw/zinc/95/91/02/1109959102.db2.gz IJXVRMMTSIGQFH-CXAGYDPISA-N 2 2 365.493 4.250 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)[C@H](C)C1 ZINC000449027456 1109959104 /nfs/dbraw/zinc/95/91/04/1109959104.db2.gz IJXVRMMTSIGQFH-CXAGYDPISA-N 2 2 365.493 4.250 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)[C@H](C)C1 ZINC000449027456 1109959106 /nfs/dbraw/zinc/95/91/06/1109959106.db2.gz IJXVRMMTSIGQFH-CXAGYDPISA-N 2 2 365.493 4.250 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)[C@H](C)C1 ZINC000449027456 1109959108 /nfs/dbraw/zinc/95/91/08/1109959108.db2.gz IJXVRMMTSIGQFH-CXAGYDPISA-N 2 2 365.493 4.250 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(CCc3ccccc3)s2)[C@@H](C)C1 ZINC000449028945 1109959422 /nfs/dbraw/zinc/95/94/22/1109959422.db2.gz NHULIUGHTDNGAC-PXNSSMCTSA-N 2 2 357.567 4.090 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(CCc3ccccc3)s2)[C@@H](C)C1 ZINC000449028945 1109959424 /nfs/dbraw/zinc/95/94/24/1109959424.db2.gz NHULIUGHTDNGAC-PXNSSMCTSA-N 2 2 357.567 4.090 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(CCc3ccccc3)s2)[C@@H](C)C1 ZINC000449028945 1109959426 /nfs/dbraw/zinc/95/94/26/1109959426.db2.gz NHULIUGHTDNGAC-PXNSSMCTSA-N 2 2 357.567 4.090 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(CCc3ccccc3)s2)[C@@H](C)C1 ZINC000449028945 1109959427 /nfs/dbraw/zinc/95/94/27/1109959427.db2.gz NHULIUGHTDNGAC-PXNSSMCTSA-N 2 2 357.567 4.090 20 0 FIADLP c1nc(CCc2ccccc2)sc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000449299559 1110020425 /nfs/dbraw/zinc/02/04/25/1110020425.db2.gz NINUXAHFVMJPDP-UHFFFAOYSA-N 2 2 355.551 4.035 20 0 FIADLP Cc1cc(Br)c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000449324916 1110026979 /nfs/dbraw/zinc/02/69/79/1110026979.db2.gz IFXLFMYDJWEMKL-GFCCVEGCSA-N 2 2 368.706 4.134 20 0 FIADLP Cc1cc(Br)c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000449324916 1110026984 /nfs/dbraw/zinc/02/69/84/1110026984.db2.gz IFXLFMYDJWEMKL-GFCCVEGCSA-N 2 2 368.706 4.134 20 0 FIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000449352876 1110047314 /nfs/dbraw/zinc/04/73/14/1110047314.db2.gz YVULCHNUFMFEIC-FRQCXROJSA-N 2 2 359.901 4.211 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000449403830 1110059076 /nfs/dbraw/zinc/05/90/76/1110059076.db2.gz YAIHBBRBBMGHDO-RDJZCZTQSA-N 2 2 363.427 4.243 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)n2)CC[N@H+]1Cc1ccccc1 ZINC000449403830 1110059078 /nfs/dbraw/zinc/05/90/78/1110059078.db2.gz YAIHBBRBBMGHDO-RDJZCZTQSA-N 2 2 363.427 4.243 20 0 FIADLP CC(C)=CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449519168 1110097723 /nfs/dbraw/zinc/09/77/23/1110097723.db2.gz AWVQPBPEWJFVTH-SFHVURJKSA-N 2 2 357.542 4.334 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)CCC(C)(C)C)CC2)cc1 ZINC000449526039 1110099779 /nfs/dbraw/zinc/09/97/79/1110099779.db2.gz VBULQEFXDBBKOU-KRWDZBQOSA-N 2 2 359.558 4.414 20 0 FIADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@H](c3ccccc3)C3CC3)C2)cc1 ZINC000390516509 1110336710 /nfs/dbraw/zinc/33/67/10/1110336710.db2.gz APANRSUQIRRRAT-XZOQPEGZSA-N 2 2 350.506 4.018 20 0 FIADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@H](c3ccccc3)C3CC3)C2)cc1 ZINC000390516509 1110336713 /nfs/dbraw/zinc/33/67/13/1110336713.db2.gz APANRSUQIRRRAT-XZOQPEGZSA-N 2 2 350.506 4.018 20 0 FIADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C12CCCCC2 ZINC000538397742 1111123693 /nfs/dbraw/zinc/12/36/93/1111123693.db2.gz AWVOEBRBNRSCFX-LEWJYISDSA-N 2 2 353.510 4.149 20 0 FIADLP Cc1cccc2ncc(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)n21 ZINC000538732129 1111268858 /nfs/dbraw/zinc/26/88/58/1111268858.db2.gz MPYLCAHIMNTVAB-FPOVZHCZSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccc2ncc(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)n21 ZINC000538732129 1111268863 /nfs/dbraw/zinc/26/88/63/1111268863.db2.gz MPYLCAHIMNTVAB-FPOVZHCZSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccc2ncc(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)n21 ZINC000538732129 1111268865 /nfs/dbraw/zinc/26/88/65/1111268865.db2.gz MPYLCAHIMNTVAB-FPOVZHCZSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccc2ncc(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)n21 ZINC000538732129 1111268868 /nfs/dbraw/zinc/26/88/68/1111268868.db2.gz MPYLCAHIMNTVAB-FPOVZHCZSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000552103971 1111586590 /nfs/dbraw/zinc/58/65/90/1111586590.db2.gz OFKFGTPFABCKHW-GOSISDBHSA-N 2 2 372.944 4.142 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000552103971 1111586594 /nfs/dbraw/zinc/58/65/94/1111586594.db2.gz OFKFGTPFABCKHW-GOSISDBHSA-N 2 2 372.944 4.142 20 0 FIADLP Brc1cccc2c(N3CCCC[C@@H]([NH+]4CCCC4)C3)cc[nH+]c12 ZINC000552857038 1111833215 /nfs/dbraw/zinc/83/32/15/1111833215.db2.gz HEZRGYFKYGRBCD-OAHLLOKOSA-N 2 2 374.326 4.452 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCc3cc(Br)ccc31)CCC2 ZINC000479071605 1111940496 /nfs/dbraw/zinc/94/04/96/1111940496.db2.gz RSHLIVDKXCUBPY-YJBOKZPZSA-N 2 2 374.326 4.499 20 0 FIADLP COc1ccc(C[N@H+](CCCn2cc[nH+]c2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000553315316 1111947022 /nfs/dbraw/zinc/94/70/22/1111947022.db2.gz YXNYBTJGACIDQT-ICSRJNTNSA-N 2 2 371.525 4.371 20 0 FIADLP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000553315316 1111947025 /nfs/dbraw/zinc/94/70/25/1111947025.db2.gz YXNYBTJGACIDQT-ICSRJNTNSA-N 2 2 371.525 4.371 20 0 FIADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000479474034 1112037224 /nfs/dbraw/zinc/03/72/24/1112037224.db2.gz CAFTXVJAQBRJGQ-VWPQPMDRSA-N 2 2 356.554 4.468 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000479488739 1112040847 /nfs/dbraw/zinc/04/08/47/1112040847.db2.gz KOPOOHSVLRWYPO-YZBYQZESSA-N 2 2 367.512 4.357 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000479488739 1112040851 /nfs/dbraw/zinc/04/08/51/1112040851.db2.gz KOPOOHSVLRWYPO-YZBYQZESSA-N 2 2 367.512 4.357 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000479529913 1112053724 /nfs/dbraw/zinc/05/37/24/1112053724.db2.gz RSAHSJMNBPWPQB-DYJCROTPSA-N 2 2 367.512 4.357 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000479529913 1112053727 /nfs/dbraw/zinc/05/37/27/1112053727.db2.gz RSAHSJMNBPWPQB-DYJCROTPSA-N 2 2 367.512 4.357 20 0 FIADLP Cc1cnc([C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000480200173 1112329322 /nfs/dbraw/zinc/32/93/22/1112329322.db2.gz NCFIKWIHBITEOU-NSISKUIASA-N 2 2 355.551 4.403 20 0 FIADLP Cc1cnc([C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000480200173 1112329327 /nfs/dbraw/zinc/32/93/27/1112329327.db2.gz NCFIKWIHBITEOU-NSISKUIASA-N 2 2 355.551 4.403 20 0 FIADLP Fc1ccc(Oc2ccc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cn2)cc1 ZINC000667658912 1112390327 /nfs/dbraw/zinc/39/03/27/1112390327.db2.gz UVCYNCHJPRKEBJ-HXUWFJFHSA-N 2 2 369.484 4.463 20 0 FIADLP Fc1ccc(Oc2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cn2)cc1 ZINC000667658912 1112390333 /nfs/dbraw/zinc/39/03/33/1112390333.db2.gz UVCYNCHJPRKEBJ-HXUWFJFHSA-N 2 2 369.484 4.463 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000667667201 1112408343 /nfs/dbraw/zinc/40/83/43/1112408343.db2.gz HOQHDMMMTODGAU-SWLSCSKDSA-N 2 2 351.288 4.110 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc3cc(Br)ccc3o2)CC[N@H+]1C ZINC000667667201 1112408347 /nfs/dbraw/zinc/40/83/47/1112408347.db2.gz HOQHDMMMTODGAU-SWLSCSKDSA-N 2 2 351.288 4.110 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc3cc(Br)ccc3o2)CC[NH+]1C ZINC000667667201 1112408352 /nfs/dbraw/zinc/40/83/52/1112408352.db2.gz HOQHDMMMTODGAU-SWLSCSKDSA-N 2 2 351.288 4.110 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3cc(Br)ccc3o2)CC[NH+]1C ZINC000667667201 1112408355 /nfs/dbraw/zinc/40/83/55/1112408355.db2.gz HOQHDMMMTODGAU-SWLSCSKDSA-N 2 2 351.288 4.110 20 0 FIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccc(O)c2)cc1 ZINC000554875734 1112540764 /nfs/dbraw/zinc/54/07/64/1112540764.db2.gz PJGADAGDANGDQF-UHFFFAOYSA-N 2 2 365.477 4.080 20 0 FIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccc(O)c2)cc1 ZINC000554875734 1112540769 /nfs/dbraw/zinc/54/07/69/1112540769.db2.gz PJGADAGDANGDQF-UHFFFAOYSA-N 2 2 365.477 4.080 20 0 FIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCC(C)(C)O1 ZINC000480748708 1112576209 /nfs/dbraw/zinc/57/62/09/1112576209.db2.gz IDSJYYUJPDLIJI-HXUWFJFHSA-N 2 2 371.525 4.132 20 0 FIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCC(C)(C)O1 ZINC000480748708 1112576215 /nfs/dbraw/zinc/57/62/15/1112576215.db2.gz IDSJYYUJPDLIJI-HXUWFJFHSA-N 2 2 371.525 4.132 20 0 FIADLP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1F ZINC000480743953 1112581916 /nfs/dbraw/zinc/58/19/16/1112581916.db2.gz JJRGMOSGWORPKI-AZUAARDMSA-N 2 2 371.500 4.226 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1N(C)C ZINC000480770604 1112596939 /nfs/dbraw/zinc/59/69/39/1112596939.db2.gz PBIPCTNFYYYSGF-SFHVURJKSA-N 2 2 369.528 4.249 20 0 FIADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000554972902 1112599744 /nfs/dbraw/zinc/59/97/44/1112599744.db2.gz ZAKOHBORJAMJEW-SHRNQRGKSA-N 2 2 361.436 4.363 20 0 FIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000480777878 1112600814 /nfs/dbraw/zinc/60/08/14/1112600814.db2.gz JKJVSFXOSHNDQV-SJORKVTESA-N 2 2 353.441 4.341 20 0 FIADLP CO[C@H](C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000555014689 1112622647 /nfs/dbraw/zinc/62/26/47/1112622647.db2.gz KGRNZOPZEJIRCI-AJSBUHFISA-N 2 2 352.522 4.359 20 0 FIADLP CO[C@H](C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000555014689 1112622652 /nfs/dbraw/zinc/62/26/52/1112622652.db2.gz KGRNZOPZEJIRCI-AJSBUHFISA-N 2 2 352.522 4.359 20 0 FIADLP CO[C@H](C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000555014689 1112622655 /nfs/dbraw/zinc/62/26/55/1112622655.db2.gz KGRNZOPZEJIRCI-AJSBUHFISA-N 2 2 352.522 4.359 20 0 FIADLP CO[C@H](C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000555014689 1112622656 /nfs/dbraw/zinc/62/26/56/1112622656.db2.gz KGRNZOPZEJIRCI-AJSBUHFISA-N 2 2 352.522 4.359 20 0 FIADLP Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1C ZINC000481295188 1112863082 /nfs/dbraw/zinc/86/30/82/1112863082.db2.gz NQZTYSAXRPYAEQ-FQEVSTJZSA-N 2 2 352.522 4.295 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc2c(c1)CCCC2 ZINC000481327945 1112901982 /nfs/dbraw/zinc/90/19/82/1112901982.db2.gz OKZCIVVVDKFTQZ-LJQANCHMSA-N 2 2 364.533 4.248 20 0 FIADLP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481540684 1112973026 /nfs/dbraw/zinc/97/30/26/1112973026.db2.gz HFKHFTAVUCXZBI-FQEVSTJZSA-N 3 2 374.532 4.435 20 0 FIADLP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000481995693 1113151611 /nfs/dbraw/zinc/15/16/11/1113151611.db2.gz WTERFBFVKGTAAP-SFTDATJTSA-N 2 2 362.521 4.153 20 0 FIADLP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000481995693 1113151614 /nfs/dbraw/zinc/15/16/14/1113151614.db2.gz WTERFBFVKGTAAP-SFTDATJTSA-N 2 2 362.521 4.153 20 0 FIADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)CC1 ZINC000482212249 1113203327 /nfs/dbraw/zinc/20/33/27/1113203327.db2.gz KMBRNONZDMGFFM-UHFFFAOYSA-N 2 2 370.493 4.087 20 0 FIADLP Fc1c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cccc1OC1CC1 ZINC000668084271 1113305391 /nfs/dbraw/zinc/30/53/91/1113305391.db2.gz FWWZDNHVVXNMTF-UHFFFAOYSA-N 2 2 369.484 4.279 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3cc4ccncc4s3)C2)n2c1CCCC2 ZINC000668104515 1113332386 /nfs/dbraw/zinc/33/23/86/1113332386.db2.gz ISGWVCHPHGPWJN-MRXNPFEDSA-N 2 2 352.507 4.209 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3cc4ccncc4s3)C2)n2c1CCCC2 ZINC000668104515 1113332390 /nfs/dbraw/zinc/33/23/90/1113332390.db2.gz ISGWVCHPHGPWJN-MRXNPFEDSA-N 2 2 352.507 4.209 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC[N@@H+]1C ZINC000482791852 1113366219 /nfs/dbraw/zinc/36/62/19/1113366219.db2.gz RUTYAUBGUCXDLV-WBVHZDCISA-N 2 2 374.960 4.396 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC[N@H+]1C ZINC000482791852 1113366222 /nfs/dbraw/zinc/36/62/22/1113366222.db2.gz RUTYAUBGUCXDLV-WBVHZDCISA-N 2 2 374.960 4.396 20 0 FIADLP Brc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000483131594 1113449581 /nfs/dbraw/zinc/44/95/81/1113449581.db2.gz BLFSJQSEROOMFX-IBGZPJMESA-N 2 2 368.278 4.412 20 0 FIADLP Brc1ccccc1[C@H]1CCC[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168374353 1113876255 /nfs/dbraw/zinc/87/62/55/1113876255.db2.gz ZQVPBOHWEVDAOW-LJQANCHMSA-N 2 2 363.343 4.460 20 0 FIADLP Brc1ccccc1[C@H]1CCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168374353 1113876260 /nfs/dbraw/zinc/87/62/60/1113876260.db2.gz ZQVPBOHWEVDAOW-LJQANCHMSA-N 2 2 363.343 4.460 20 0 FIADLP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2cc1C(C)C ZINC000150766343 1114112178 /nfs/dbraw/zinc/11/21/78/1114112178.db2.gz ZEIGGPBBMNYTCA-SFHVURJKSA-N 2 2 368.521 4.143 20 0 FIADLP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2cc1C(C)C ZINC000150766343 1114112181 /nfs/dbraw/zinc/11/21/81/1114112181.db2.gz ZEIGGPBBMNYTCA-SFHVURJKSA-N 2 2 368.521 4.143 20 0 FIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Br)c(F)c1 ZINC000489480148 1114118136 /nfs/dbraw/zinc/11/81/36/1114118136.db2.gz ADUKVXBBZIJJKK-LBPRGKRZSA-N 2 2 352.251 4.136 20 0 FIADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(OC)cc2)c2ccccc2Cl)C1 ZINC000490167667 1114228712 /nfs/dbraw/zinc/22/87/12/1114228712.db2.gz LYIZUKPRYSCAPF-HRAATJIYSA-N 2 2 358.913 4.369 20 0 FIADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(OC)cc2)c2ccccc2Cl)C1 ZINC000490167667 1114228719 /nfs/dbraw/zinc/22/87/19/1114228719.db2.gz LYIZUKPRYSCAPF-HRAATJIYSA-N 2 2 358.913 4.369 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(F)ccc1Br ZINC000573366264 1115094013 /nfs/dbraw/zinc/09/40/13/1115094013.db2.gz KPKQRMPKFKXWSI-UHFFFAOYSA-N 2 2 368.294 4.259 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(F)ccc1Br ZINC000573366264 1115094016 /nfs/dbraw/zinc/09/40/16/1115094016.db2.gz KPKQRMPKFKXWSI-UHFFFAOYSA-N 2 2 368.294 4.259 20 0 FIADLP COc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1OC1CCCC1 ZINC000573793194 1115181421 /nfs/dbraw/zinc/18/14/21/1115181421.db2.gz WUCNMNOENGXXAW-WOJBJXKFSA-N 2 2 352.478 4.251 20 0 FIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(Br)cs1 ZINC000226393334 1115349939 /nfs/dbraw/zinc/34/99/39/1115349939.db2.gz QYKYHNDFYSTZPW-RISCZKNCSA-N 2 2 356.333 4.473 20 0 FIADLP C[C@H]1C[N@H+](Cc2cccc(CNc3cc[nH+]c4ccsc43)c2)CCO1 ZINC000574803627 1115496512 /nfs/dbraw/zinc/49/65/12/1115496512.db2.gz VGICNFLRFQIMNM-HNNXBMFYSA-N 2 2 353.491 4.129 20 0 FIADLP C[C@H]1C[N@@H+](Cc2cccc(CNc3cc[nH+]c4ccsc43)c2)CCO1 ZINC000574803627 1115496514 /nfs/dbraw/zinc/49/65/14/1115496514.db2.gz VGICNFLRFQIMNM-HNNXBMFYSA-N 2 2 353.491 4.129 20 0 FIADLP COc1cc(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCCC2)cc(OC)c1 ZINC000606913047 1115983083 /nfs/dbraw/zinc/98/30/83/1115983083.db2.gz GOFRZXHIKYFWLY-GOSISDBHSA-N 2 2 368.521 4.457 20 0 FIADLP c1cn(Cc2ccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)cc2)c[nH+]1 ZINC000534355860 1116188463 /nfs/dbraw/zinc/18/84/63/1116188463.db2.gz ZGVQXBZVJUXHCP-JTHBVZDNSA-N 2 2 361.489 4.189 20 0 FIADLP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000534473215 1116206721 /nfs/dbraw/zinc/20/67/21/1116206721.db2.gz SZHWFHZGQCGDON-OAQYLSRUSA-N 2 2 371.488 4.195 20 0 FIADLP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000534473215 1116206723 /nfs/dbraw/zinc/20/67/23/1116206723.db2.gz SZHWFHZGQCGDON-OAQYLSRUSA-N 2 2 371.488 4.195 20 0 FIADLP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534863616 1116246695 /nfs/dbraw/zinc/24/66/95/1116246695.db2.gz LTBDVXHIYMSZRI-QGZVFWFLSA-N 2 2 374.488 4.138 20 0 FIADLP Cc1c(Br)cccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000535581660 1116327301 /nfs/dbraw/zinc/32/73/01/1116327301.db2.gz HSZPSXYLXUTQMQ-KRWDZBQOSA-N 2 2 351.332 4.208 20 0 FIADLP Cc1c(Br)cccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000535581660 1116327304 /nfs/dbraw/zinc/32/73/04/1116327304.db2.gz HSZPSXYLXUTQMQ-KRWDZBQOSA-N 2 2 351.332 4.208 20 0 FIADLP c1ccc(NC2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)CC2)[nH+]c1 ZINC000535573075 1116328624 /nfs/dbraw/zinc/32/86/24/1116328624.db2.gz FSCCQVTVEDPICM-UHFFFAOYSA-N 2 2 374.488 4.132 20 0 FIADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@H](C)c1ccccc1 ZINC000539691058 1116366289 /nfs/dbraw/zinc/36/62/89/1116366289.db2.gz WJOSNVSISZNDJM-ZWKOTPCHSA-N 2 2 352.526 4.216 20 0 FIADLP Fc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000539897840 1117740029 /nfs/dbraw/zinc/74/00/29/1117740029.db2.gz GRJBVZJABDXSRX-KSSFIOAISA-N 2 2 356.407 4.293 20 0 FIADLP Fc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000539897840 1117740032 /nfs/dbraw/zinc/74/00/32/1117740032.db2.gz GRJBVZJABDXSRX-KSSFIOAISA-N 2 2 356.407 4.293 20 0 FIADLP Fc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000539897840 1117740034 /nfs/dbraw/zinc/74/00/34/1117740034.db2.gz GRJBVZJABDXSRX-KSSFIOAISA-N 2 2 356.407 4.293 20 0 FIADLP Fc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000539897840 1117740036 /nfs/dbraw/zinc/74/00/36/1117740036.db2.gz GRJBVZJABDXSRX-KSSFIOAISA-N 2 2 356.407 4.293 20 0 FIADLP Fc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000539897839 1117740049 /nfs/dbraw/zinc/74/00/49/1117740049.db2.gz GRJBVZJABDXSRX-KDOFPFPSSA-N 2 2 356.407 4.293 20 0 FIADLP Fc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000539897839 1117740050 /nfs/dbraw/zinc/74/00/50/1117740050.db2.gz GRJBVZJABDXSRX-KDOFPFPSSA-N 2 2 356.407 4.293 20 0 FIADLP Fc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000539897839 1117740051 /nfs/dbraw/zinc/74/00/51/1117740051.db2.gz GRJBVZJABDXSRX-KDOFPFPSSA-N 2 2 356.407 4.293 20 0 FIADLP Fc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000539897839 1117740053 /nfs/dbraw/zinc/74/00/53/1117740053.db2.gz GRJBVZJABDXSRX-KDOFPFPSSA-N 2 2 356.407 4.293 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000540145515 1117896471 /nfs/dbraw/zinc/89/64/71/1117896471.db2.gz SGGHMVQSKHDHFR-ICSRJNTNSA-N 2 2 367.537 4.402 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000540145515 1117896478 /nfs/dbraw/zinc/89/64/78/1117896478.db2.gz SGGHMVQSKHDHFR-ICSRJNTNSA-N 2 2 367.537 4.402 20 0 FIADLP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000540152835 1117906727 /nfs/dbraw/zinc/90/67/27/1117906727.db2.gz SBBQLIGOFFLBQA-RBBKRZOGSA-N 2 2 365.521 4.339 20 0 FIADLP Cc1cccc(C)c1OCCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000463064899 1117949010 /nfs/dbraw/zinc/94/90/10/1117949010.db2.gz MHUWRKBXJKZYDB-UHFFFAOYSA-N 2 2 358.448 4.079 20 0 FIADLP COc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C2CC2)cc1 ZINC000540300825 1117975268 /nfs/dbraw/zinc/97/52/68/1117975268.db2.gz GTESIEWRBQFSES-DYESRHJHSA-N 2 2 353.510 4.245 20 0 FIADLP COc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C2CC2)cc1 ZINC000540300833 1117975327 /nfs/dbraw/zinc/97/53/27/1117975327.db2.gz GTESIEWRBQFSES-UTKZUKDTSA-N 2 2 353.510 4.245 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000463116171 1117977638 /nfs/dbraw/zinc/97/76/38/1117977638.db2.gz OQDCBNQJUWDSPR-GHTZIAJQSA-N 2 2 361.489 4.484 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)no2)CC[N@H+]1Cc1ccccc1 ZINC000463116171 1117977641 /nfs/dbraw/zinc/97/76/41/1117977641.db2.gz OQDCBNQJUWDSPR-GHTZIAJQSA-N 2 2 361.489 4.484 20 0 FIADLP CCc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463151767 1117993708 /nfs/dbraw/zinc/99/37/08/1117993708.db2.gz MVJGFDHDBLHKBZ-QHCPKHFHSA-N 2 2 364.533 4.369 20 0 FIADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCOc4c(F)cccc43)CC2)cc1 ZINC000463273249 1118073863 /nfs/dbraw/zinc/07/38/63/1118073863.db2.gz ZESVWSMICVPDAQ-OAQYLSRUSA-N 2 2 372.459 4.085 20 0 FIADLP CC(C)C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccs1 ZINC000540756195 1118224431 /nfs/dbraw/zinc/22/44/31/1118224431.db2.gz FFZCBOIWMLCKHR-QZTJIDSGSA-N 2 2 358.555 4.483 20 0 FIADLP CSc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1F ZINC000540756726 1118225100 /nfs/dbraw/zinc/22/51/00/1118225100.db2.gz MKKREMMNOAHOJC-WMLDXEAASA-N 2 2 374.529 4.256 20 0 FIADLP CC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc(F)ccc1F ZINC000540758452 1118225919 /nfs/dbraw/zinc/22/59/19/1118225919.db2.gz JIAPCOOMGSSEQX-LPHOPBHVSA-N 2 2 360.452 4.063 20 0 FIADLP CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(C)cc1 ZINC000540787991 1118247591 /nfs/dbraw/zinc/24/75/91/1118247591.db2.gz RFUPRAHQDGUWPD-OAQYLSRUSA-N 2 2 352.526 4.484 20 0 FIADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000464056459 1118427294 /nfs/dbraw/zinc/42/72/94/1118427294.db2.gz ZTHUHEOPYOTURX-CYBMUJFWSA-N 2 2 359.739 4.313 20 0 FIADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000464056459 1118427295 /nfs/dbraw/zinc/42/72/95/1118427295.db2.gz ZTHUHEOPYOTURX-CYBMUJFWSA-N 2 2 359.739 4.313 20 0 FIADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCCc2ccccc2Br)C1 ZINC000541348550 1118482698 /nfs/dbraw/zinc/48/26/98/1118482698.db2.gz GGTMZFRTSSGGAU-MRXNPFEDSA-N 2 2 353.348 4.045 20 0 FIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCc2ccccc2Br)C1 ZINC000541348550 1118482701 /nfs/dbraw/zinc/48/27/01/1118482701.db2.gz GGTMZFRTSSGGAU-MRXNPFEDSA-N 2 2 353.348 4.045 20 0 FIADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCCc2ccccc2Br)C1 ZINC000541348550 1118482703 /nfs/dbraw/zinc/48/27/03/1118482703.db2.gz GGTMZFRTSSGGAU-MRXNPFEDSA-N 2 2 353.348 4.045 20 0 FIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCc2ccccc2Br)C1 ZINC000541348550 1118482707 /nfs/dbraw/zinc/48/27/07/1118482707.db2.gz GGTMZFRTSSGGAU-MRXNPFEDSA-N 2 2 353.348 4.045 20 0 FIADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541552986 1118560018 /nfs/dbraw/zinc/56/00/18/1118560018.db2.gz YLNSQRRLHCLXRB-SBUREZEXSA-N 2 2 363.480 4.395 20 0 FIADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541552986 1118560021 /nfs/dbraw/zinc/56/00/21/1118560021.db2.gz YLNSQRRLHCLXRB-SBUREZEXSA-N 2 2 363.480 4.395 20 0 FIADLP c1cn(CCCC2CC[NH+](Cc3nnc(-c4ccccc4)s3)CC2)c[nH+]1 ZINC000464488450 1118580406 /nfs/dbraw/zinc/58/04/06/1118580406.db2.gz AOHXKFVMJFDCSC-UHFFFAOYSA-N 2 2 367.522 4.094 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2ccccc2Cl)C1 ZINC000303586346 1118968281 /nfs/dbraw/zinc/96/82/81/1118968281.db2.gz LIYYHEPQEFOPPX-MSOLQXFVSA-N 2 2 350.934 4.305 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2ccccc2Cl)C1 ZINC000303586346 1118968283 /nfs/dbraw/zinc/96/82/83/1118968283.db2.gz LIYYHEPQEFOPPX-MSOLQXFVSA-N 2 2 350.934 4.305 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000303586346 1118968287 /nfs/dbraw/zinc/96/82/87/1118968287.db2.gz LIYYHEPQEFOPPX-MSOLQXFVSA-N 2 2 350.934 4.305 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000303586346 1118968291 /nfs/dbraw/zinc/96/82/91/1118968291.db2.gz LIYYHEPQEFOPPX-MSOLQXFVSA-N 2 2 350.934 4.305 20 0 FIADLP COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311517777 1119377824 /nfs/dbraw/zinc/37/78/24/1119377824.db2.gz IQJVGQZRURYLHE-ZIFCJYIRSA-N 2 2 356.485 4.396 20 0 FIADLP COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311517777 1119377826 /nfs/dbraw/zinc/37/78/26/1119377826.db2.gz IQJVGQZRURYLHE-ZIFCJYIRSA-N 2 2 356.485 4.396 20 0 FIADLP CCCc1csc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)n1 ZINC000494152516 1119547758 /nfs/dbraw/zinc/54/77/58/1119547758.db2.gz KJLZGVHRKBFLBL-IAGOWNOFSA-N 2 2 357.567 4.342 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc2c(s1)CCCC2 ZINC000195134088 1120120317 /nfs/dbraw/zinc/12/03/17/1120120317.db2.gz JIXWVXXTDUCYEH-WMZOPIPTSA-N 2 2 355.551 4.195 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2c(s1)CCCC2 ZINC000195134088 1120120320 /nfs/dbraw/zinc/12/03/20/1120120320.db2.gz JIXWVXXTDUCYEH-WMZOPIPTSA-N 2 2 355.551 4.195 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cnc(-c4ccco4)s3)C2)CC1 ZINC000494999526 1120418785 /nfs/dbraw/zinc/41/87/85/1120418785.db2.gz UVCOCGZXFFFYEY-QGZVFWFLSA-N 2 2 359.539 4.347 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cnc(-c4ccco4)s3)C2)CC1 ZINC000494999526 1120418789 /nfs/dbraw/zinc/41/87/89/1120418789.db2.gz UVCOCGZXFFFYEY-QGZVFWFLSA-N 2 2 359.539 4.347 20 0 FIADLP COCC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(C)o1 ZINC000495410654 1120786988 /nfs/dbraw/zinc/78/69/88/1120786988.db2.gz YKJQQHHWCFUZEB-OAQYLSRUSA-N 2 2 374.500 4.101 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000495431941 1120817282 /nfs/dbraw/zinc/81/72/82/1120817282.db2.gz GALCVQMOGDVRFX-SXWKCWPCSA-N 3 2 374.532 4.434 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000495431941 1120817295 /nfs/dbraw/zinc/81/72/95/1120817295.db2.gz GALCVQMOGDVRFX-SXWKCWPCSA-N 3 2 374.532 4.434 20 0 FIADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC3CC(OC(C)(C)C)C3)CC2)cc1 ZINC000762624626 1120938977 /nfs/dbraw/zinc/93/89/77/1120938977.db2.gz SBNPRKXLOFWDJM-UHFFFAOYSA-N 2 2 373.585 4.295 20 0 FIADLP COc1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c(Cl)c1OC ZINC000237124733 1120973510 /nfs/dbraw/zinc/97/35/10/1120973510.db2.gz JZUIQXWOABKXAR-UHFFFAOYSA-N 2 2 354.922 4.101 20 0 FIADLP COc1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c(Cl)c1OC ZINC000237124733 1120973513 /nfs/dbraw/zinc/97/35/13/1120973513.db2.gz JZUIQXWOABKXAR-UHFFFAOYSA-N 2 2 354.922 4.101 20 0 FIADLP Cn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000443951645 1120998714 /nfs/dbraw/zinc/99/87/14/1120998714.db2.gz YOKCDZVOTXKVQE-ZDUSSCGKSA-N 2 2 371.282 4.115 20 0 FIADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000397978778 1121329960 /nfs/dbraw/zinc/32/99/60/1121329960.db2.gz LPNUTOCIQMSASI-JPYJTQIMSA-N 2 2 365.521 4.350 20 0 FIADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000397978778 1121329969 /nfs/dbraw/zinc/32/99/69/1121329969.db2.gz LPNUTOCIQMSASI-JPYJTQIMSA-N 2 2 365.521 4.350 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)ccc2OCc2cccnc2)CC[N@@H+]1C ZINC000123894073 1121643326 /nfs/dbraw/zinc/64/33/26/1121643326.db2.gz FINTWGMLGYILPV-OXJNMPFZSA-N 2 2 373.928 4.229 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)ccc2OCc2cccnc2)CC[N@H+]1C ZINC000123894073 1121643334 /nfs/dbraw/zinc/64/33/34/1121643334.db2.gz FINTWGMLGYILPV-OXJNMPFZSA-N 2 2 373.928 4.229 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)ccc2OCc2cccnc2)CC[NH+]1C ZINC000123894073 1121643341 /nfs/dbraw/zinc/64/33/41/1121643341.db2.gz FINTWGMLGYILPV-OXJNMPFZSA-N 2 2 373.928 4.229 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OCc2cccnc2)CC[NH+]1C ZINC000123894073 1121643345 /nfs/dbraw/zinc/64/33/45/1121643345.db2.gz FINTWGMLGYILPV-OXJNMPFZSA-N 2 2 373.928 4.229 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccccc2F)s1 ZINC000765792185 1121999084 /nfs/dbraw/zinc/99/90/84/1121999084.db2.gz PMATWTRQXKZETK-XHSDSOJGSA-N 2 2 360.498 4.068 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccccc2F)s1 ZINC000765792185 1121999087 /nfs/dbraw/zinc/99/90/87/1121999087.db2.gz PMATWTRQXKZETK-XHSDSOJGSA-N 2 2 360.498 4.068 20 0 FIADLP C[C@@H]([NH2+]C1(C[NH2+]C[C@@H](C)c2ccc(F)cc2)CCOCC1)c1ccccc1 ZINC000127960799 1122169198 /nfs/dbraw/zinc/16/91/98/1122169198.db2.gz ASDOHDZSGJDCSJ-RTBURBONSA-N 2 2 370.512 4.419 20 0 FIADLP Clc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CCCO2 ZINC000497412375 1122221918 /nfs/dbraw/zinc/22/19/18/1122221918.db2.gz ZOPQALJVSXLRIE-GOSISDBHSA-N 2 2 357.885 4.207 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000072824027 1123158063 /nfs/dbraw/zinc/15/80/63/1123158063.db2.gz XKRZLDNFBAZWIL-FQEVSTJZSA-N 2 2 365.521 4.103 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000072824027 1123158064 /nfs/dbraw/zinc/15/80/64/1123158064.db2.gz XKRZLDNFBAZWIL-FQEVSTJZSA-N 2 2 365.521 4.103 20 0 FIADLP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1Br)C(C)(C)C ZINC000499054073 1123175683 /nfs/dbraw/zinc/17/56/83/1123175683.db2.gz PPPYHMNQPJTINV-UHFFFAOYSA-N 2 2 350.304 4.255 20 0 FIADLP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1Br)C(C)(C)C ZINC000499054073 1123175686 /nfs/dbraw/zinc/17/56/86/1123175686.db2.gz PPPYHMNQPJTINV-UHFFFAOYSA-N 2 2 350.304 4.255 20 0 FIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cnc2ccsc2c1 ZINC000132260543 1123236706 /nfs/dbraw/zinc/23/67/06/1123236706.db2.gz JAHYVVVFHZFKPX-INIZCTEOSA-N 2 2 362.502 4.434 20 0 FIADLP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000134314177 1123624614 /nfs/dbraw/zinc/62/46/14/1123624614.db2.gz JMBYVZXOJFNLRG-QGZVFWFLSA-N 2 2 350.293 4.346 20 0 FIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000136919926 1123948058 /nfs/dbraw/zinc/94/80/58/1123948058.db2.gz KYWCNTWBYUDQSJ-IBGZPJMESA-N 2 2 370.459 4.171 20 0 FIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000136919926 1123948060 /nfs/dbraw/zinc/94/80/60/1123948060.db2.gz KYWCNTWBYUDQSJ-IBGZPJMESA-N 2 2 370.459 4.171 20 0 FIADLP Cc1cccn2c(CNc3ccc(OCC[NH+]4CCCC4)c(C)c3)c[nH+]c12 ZINC000237851195 1124132943 /nfs/dbraw/zinc/13/29/43/1124132943.db2.gz GLDXSZKDVXXYJV-UHFFFAOYSA-N 2 2 364.493 4.038 20 0 FIADLP C[C@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000245605529 1124138245 /nfs/dbraw/zinc/13/82/45/1124138245.db2.gz NEOHMHSXYGAUGF-SWLSCSKDSA-N 2 2 364.371 4.126 20 0 FIADLP C[C@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000245605529 1124138248 /nfs/dbraw/zinc/13/82/48/1124138248.db2.gz NEOHMHSXYGAUGF-SWLSCSKDSA-N 2 2 364.371 4.126 20 0 FIADLP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)on1 ZINC000542776036 1124254498 /nfs/dbraw/zinc/25/44/98/1124254498.db2.gz OCKLDFAHSVQJCL-DOTOQJQBSA-N 2 2 365.477 4.076 20 0 FIADLP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)on1 ZINC000542776036 1124254503 /nfs/dbraw/zinc/25/45/03/1124254503.db2.gz OCKLDFAHSVQJCL-DOTOQJQBSA-N 2 2 365.477 4.076 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(F)c1F ZINC000245870319 1124269019 /nfs/dbraw/zinc/26/90/19/1124269019.db2.gz JFEKYUIMAWUNQX-HZPDHXFCSA-N 2 2 360.448 4.036 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(F)c1F ZINC000245870319 1124269028 /nfs/dbraw/zinc/26/90/28/1124269028.db2.gz JFEKYUIMAWUNQX-HZPDHXFCSA-N 2 2 360.448 4.036 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(Cl)ccc1Cl ZINC000246505766 1124518568 /nfs/dbraw/zinc/51/85/68/1124518568.db2.gz SWWJWLVXDAUQCM-FASAQXTFSA-N 2 2 371.352 4.412 20 0 FIADLP CC(C)c1ccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246832887 1124565399 /nfs/dbraw/zinc/56/53/99/1124565399.db2.gz ANPUKYQLZZKCJL-AUSIDOKSSA-N 2 2 367.537 4.084 20 0 FIADLP CC(C)c1ccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246832887 1124565405 /nfs/dbraw/zinc/56/54/05/1124565405.db2.gz ANPUKYQLZZKCJL-AUSIDOKSSA-N 2 2 367.537 4.084 20 0 FIADLP CCCCOc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246962806 1124576802 /nfs/dbraw/zinc/57/68/02/1124576802.db2.gz IRJBCWFVMJQBFL-XXBNENTESA-N 2 2 367.537 4.261 20 0 FIADLP CCCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246962806 1124576808 /nfs/dbraw/zinc/57/68/08/1124576808.db2.gz IRJBCWFVMJQBFL-XXBNENTESA-N 2 2 367.537 4.261 20 0 FIADLP CCCOc1ccc(Oc2ncccc2C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247069668 1124587225 /nfs/dbraw/zinc/58/72/25/1124587225.db2.gz ODYMEGHFLHRWSW-HKUYNNGSSA-N 2 2 369.509 4.235 20 0 FIADLP CCCOc1ccc(Oc2ncccc2C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247069668 1124587231 /nfs/dbraw/zinc/58/72/31/1124587231.db2.gz ODYMEGHFLHRWSW-HKUYNNGSSA-N 2 2 369.509 4.235 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000247213559 1124599417 /nfs/dbraw/zinc/59/94/17/1124599417.db2.gz XCYUAMDNTREWNL-CDHQVMDDSA-N 2 2 371.525 4.258 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000247213559 1124599424 /nfs/dbraw/zinc/59/94/24/1124599424.db2.gz XCYUAMDNTREWNL-CDHQVMDDSA-N 2 2 371.525 4.258 20 0 FIADLP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000248977685 1124832199 /nfs/dbraw/zinc/83/21/99/1124832199.db2.gz DUVNWCQPVNHFAY-AUSIDOKSSA-N 2 2 367.537 4.179 20 0 FIADLP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000248977685 1124832213 /nfs/dbraw/zinc/83/22/13/1124832213.db2.gz DUVNWCQPVNHFAY-AUSIDOKSSA-N 2 2 367.537 4.179 20 0 FIADLP CC(C)c1ccccc1OCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000089597367 1124917569 /nfs/dbraw/zinc/91/75/69/1124917569.db2.gz DPSOGLHDSWARRG-UGKGYDQZSA-N 2 2 367.537 4.084 20 0 FIADLP CC(C)c1ccccc1OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000089597367 1124917570 /nfs/dbraw/zinc/91/75/70/1124917570.db2.gz DPSOGLHDSWARRG-UGKGYDQZSA-N 2 2 367.537 4.084 20 0 FIADLP C[C@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000089667202 1124923102 /nfs/dbraw/zinc/92/31/02/1124923102.db2.gz RTTXCQSQICLDOG-HNNXBMFYSA-N 2 2 352.507 4.101 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000090015954 1124975393 /nfs/dbraw/zinc/97/53/93/1124975393.db2.gz UKFRRUZGNZTQOW-KNQAVFIVSA-N 2 2 351.538 4.151 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000090015954 1124975394 /nfs/dbraw/zinc/97/53/94/1124975394.db2.gz UKFRRUZGNZTQOW-KNQAVFIVSA-N 2 2 351.538 4.151 20 0 FIADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090657218 1125010955 /nfs/dbraw/zinc/01/09/55/1125010955.db2.gz OOMDPBSWBNEWJP-AVRDEDQJSA-N 2 2 363.505 4.325 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000090667955 1125013301 /nfs/dbraw/zinc/01/33/01/1125013301.db2.gz BBXLSQGCDJZQGL-VGSWGCGISA-N 2 2 367.562 4.227 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091367585 1125067945 /nfs/dbraw/zinc/06/79/45/1125067945.db2.gz RANHPQJINMBQOW-CQSZACIVSA-N 2 2 360.933 4.284 20 0 FIADLP COC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccc(F)c(F)c1 ZINC000091413332 1125072085 /nfs/dbraw/zinc/07/20/85/1125072085.db2.gz UAUCLADPHJANCA-QKKBWIMNSA-N 2 2 371.431 4.497 20 0 FIADLP c1csc(-c2ncc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)s2)c1 ZINC000092066755 1125118124 /nfs/dbraw/zinc/11/81/24/1125118124.db2.gz FDECBGSRWFSZBL-RHSMWYFYSA-N 2 2 359.564 4.320 20 0 FIADLP c1csc(-c2ncc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)s2)c1 ZINC000092066755 1125118129 /nfs/dbraw/zinc/11/81/29/1125118129.db2.gz FDECBGSRWFSZBL-RHSMWYFYSA-N 2 2 359.564 4.320 20 0 FIADLP c1csc(-c2ncc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)s2)c1 ZINC000092066755 1125118135 /nfs/dbraw/zinc/11/81/35/1125118135.db2.gz FDECBGSRWFSZBL-RHSMWYFYSA-N 2 2 359.564 4.320 20 0 FIADLP c1csc(-c2ncc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)s2)c1 ZINC000092066755 1125118141 /nfs/dbraw/zinc/11/81/41/1125118141.db2.gz FDECBGSRWFSZBL-RHSMWYFYSA-N 2 2 359.564 4.320 20 0 FIADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(C)ccc1OC ZINC000093399247 1125319452 /nfs/dbraw/zinc/31/94/52/1125319452.db2.gz PAJDOSLZAWTAFY-QFIPXVFZSA-N 2 2 368.521 4.077 20 0 FIADLP Clc1cccc(Cl)c1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000069710605 568097160 /nfs/dbraw/zinc/09/71/60/568097160.db2.gz HMVIHVKINPULAA-UHFFFAOYSA-N 2 2 350.293 4.143 20 0 FIADLP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000603942466 568185382 /nfs/dbraw/zinc/18/53/82/568185382.db2.gz PMPXXSTVPIRYKA-DENIHFKCSA-N 2 2 363.505 4.023 20 0 FIADLP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000603942466 568185383 /nfs/dbraw/zinc/18/53/83/568185383.db2.gz PMPXXSTVPIRYKA-DENIHFKCSA-N 2 2 363.505 4.023 20 0 FIADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000563120075 568224868 /nfs/dbraw/zinc/22/48/68/568224868.db2.gz QNZOPSGHSADHDO-RBBKRZOGSA-N 3 2 355.570 4.038 20 0 FIADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000563120075 568224869 /nfs/dbraw/zinc/22/48/69/568224869.db2.gz QNZOPSGHSADHDO-RBBKRZOGSA-N 3 2 355.570 4.038 20 0 FIADLP C[C@H]1CCCC[NH+]1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120075 568224871 /nfs/dbraw/zinc/22/48/71/568224871.db2.gz QNZOPSGHSADHDO-RBBKRZOGSA-N 3 2 355.570 4.038 20 0 FIADLP Cc1ccc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1Oc1cc[nH+]cc1 ZINC000604727418 568356994 /nfs/dbraw/zinc/35/69/94/568356994.db2.gz AYXGUKZCUFQZRF-FQEVSTJZSA-N 2 2 369.509 4.279 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000604771530 568363265 /nfs/dbraw/zinc/36/32/65/568363265.db2.gz HKWZSCAZYVIJQH-AUUYWEPGSA-N 2 2 364.320 4.389 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000604771530 568363266 /nfs/dbraw/zinc/36/32/66/568363266.db2.gz HKWZSCAZYVIJQH-AUUYWEPGSA-N 2 2 364.320 4.389 20 0 FIADLP Cc1cc(NCc2cccc(C[NH+]3CCCCCC3)c2)nc(C2CC2)[nH+]1 ZINC000604757061 568365181 /nfs/dbraw/zinc/36/51/81/568365181.db2.gz ZVORIRMHRXQSIP-UHFFFAOYSA-N 2 2 350.510 4.072 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1csc(Cl)c1 ZINC000390909648 568533586 /nfs/dbraw/zinc/53/35/86/568533586.db2.gz NOUMSKDDBDWEPD-MAUKXSAKSA-N 2 2 364.942 4.343 20 0 FIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nccs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165562 568594159 /nfs/dbraw/zinc/59/41/59/568594159.db2.gz JQMACEKREQUKEU-YOEHRIQHSA-N 2 2 369.456 4.335 20 0 FIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2nccs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165562 568594162 /nfs/dbraw/zinc/59/41/62/568594162.db2.gz JQMACEKREQUKEU-YOEHRIQHSA-N 2 2 369.456 4.335 20 0 FIADLP CC(C)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]c1 ZINC001165020636 721814552 /nfs/dbraw/zinc/81/45/52/721814552.db2.gz CFNQUOLZCHQLHH-BVSLBCMMSA-N 2 2 364.537 4.337 20 0 FIADLP CC(C)c1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]c1 ZINC001165020636 721814553 /nfs/dbraw/zinc/81/45/53/721814553.db2.gz CFNQUOLZCHQLHH-BVSLBCMMSA-N 2 2 364.537 4.337 20 0 FIADLP c1ccc2c(c1)cc[nH+]c2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955013 722013378 /nfs/dbraw/zinc/01/33/78/722013378.db2.gz RBCNMVWITLTQRF-UHFFFAOYSA-N 2 2 358.489 4.122 20 0 FIADLP c1ccc2c(c1)cc[nH+]c2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955013 722013380 /nfs/dbraw/zinc/01/33/80/722013380.db2.gz RBCNMVWITLTQRF-UHFFFAOYSA-N 2 2 358.489 4.122 20 0 FIADLP Brc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cs1 ZINC000543060313 1125579045 /nfs/dbraw/zinc/57/90/45/1125579045.db2.gz FSDKLVKDHPZUME-UHFFFAOYSA-N 2 2 368.344 4.400 20 0 FIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OC(F)(F)F)cc1 ZINC000152829595 1125662270 /nfs/dbraw/zinc/66/22/70/1125662270.db2.gz DQPRXTCBJNSJSG-ZDUSSCGKSA-N 2 2 353.388 4.011 20 0 FIADLP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000153259052 1125765963 /nfs/dbraw/zinc/76/59/63/1125765963.db2.gz MSEUYPSOUGGJJK-XXBNENTESA-N 2 2 351.538 4.248 20 0 FIADLP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000153259052 1125765967 /nfs/dbraw/zinc/76/59/67/1125765967.db2.gz MSEUYPSOUGGJJK-XXBNENTESA-N 2 2 351.538 4.248 20 0 FIADLP FC(F)(F)c1cccc(OCCCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000471178997 1080124495 /nfs/dbraw/zinc/12/44/95/1080124495.db2.gz YVGSNBYQNCNQTC-OAHLLOKOSA-N 2 2 367.415 4.467 20 0 FIADLP FC(F)(F)c1cccc(OCCCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000471178997 1080124498 /nfs/dbraw/zinc/12/44/98/1080124498.db2.gz YVGSNBYQNCNQTC-OAHLLOKOSA-N 2 2 367.415 4.467 20 0 FIADLP FC(F)(F)c1ccccc1OCCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471178751 1080130030 /nfs/dbraw/zinc/13/00/30/1080130030.db2.gz XOEZJEBQORCPBZ-HNNXBMFYSA-N 2 2 367.415 4.467 20 0 FIADLP FC(F)(F)c1ccccc1OCCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471178751 1080130032 /nfs/dbraw/zinc/13/00/32/1080130032.db2.gz XOEZJEBQORCPBZ-HNNXBMFYSA-N 2 2 367.415 4.467 20 0 FIADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)CC3 ZINC000180092408 1080440003 /nfs/dbraw/zinc/44/00/03/1080440003.db2.gz CZIMPKFXBHMFKU-HXUWFJFHSA-N 2 2 370.500 4.368 20 0 FIADLP CC(C)CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655705053 1081126443 /nfs/dbraw/zinc/12/64/43/1081126443.db2.gz UXEJCMAPHOZBPJ-WIYYLYMNSA-N 2 2 360.542 4.015 20 0 FIADLP C[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655702223 1081127416 /nfs/dbraw/zinc/12/74/16/1081127416.db2.gz ZXJGSTJOBUPEAK-CYFREDJKSA-N 2 2 364.533 4.128 20 0 FIADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655708026 1081132993 /nfs/dbraw/zinc/13/29/93/1081132993.db2.gz HUBOQLAEDURXAT-RTBURBONSA-N 2 2 370.459 4.245 20 0 FIADLP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655708490 1081133398 /nfs/dbraw/zinc/13/33/98/1081133398.db2.gz QSXQFYLTRMSZJJ-OALUTQOASA-N 2 2 370.459 4.390 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1Cl ZINC000655761018 1081179928 /nfs/dbraw/zinc/17/99/28/1081179928.db2.gz DJYRODJVKXMNAB-XJKSGUPXSA-N 2 2 357.325 4.287 20 0 FIADLP Clc1ccc([C@@H]2CCC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000655773947 1081184187 /nfs/dbraw/zinc/18/41/87/1081184187.db2.gz LUTNWNUGZYISQJ-UIFIKXQLSA-N 2 2 362.945 4.209 20 0 FIADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cnn(C3CCCC3)c1-c1ccccc1)C2 ZINC000580061583 1081565595 /nfs/dbraw/zinc/56/55/95/1081565595.db2.gz BQEPYXOEXMAVGC-GOSISDBHSA-N 2 2 361.493 4.035 20 0 FIADLP c1cn([C@H]2CCc3ccccc3[C@H]2[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c[nH+]1 ZINC000580245184 1081773616 /nfs/dbraw/zinc/77/36/16/1081773616.db2.gz CVKJXCKEXDJYPY-PTLNGURQSA-N 2 2 365.521 4.297 20 0 FIADLP CCOc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1F ZINC000580259274 1081787062 /nfs/dbraw/zinc/78/70/62/1081787062.db2.gz BAQVSPJVPVCPCF-UHFFFAOYSA-N 2 2 356.485 4.321 20 0 FIADLP CCOc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1F ZINC000580259274 1081787068 /nfs/dbraw/zinc/78/70/68/1081787068.db2.gz BAQVSPJVPVCPCF-UHFFFAOYSA-N 2 2 356.485 4.321 20 0 FIADLP C[N@H+](C/C=C\c1ccc(Cl)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000255296869 1081792421 /nfs/dbraw/zinc/79/24/21/1081792421.db2.gz CFFRHYKORZJJIS-PLNGDYQASA-N 2 2 369.940 4.387 20 0 FIADLP C[N@@H+](C/C=C\c1ccc(Cl)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000255296869 1081792428 /nfs/dbraw/zinc/79/24/28/1081792428.db2.gz CFFRHYKORZJJIS-PLNGDYQASA-N 2 2 369.940 4.387 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1nc2ccccc2n1C ZINC000091346765 1081857606 /nfs/dbraw/zinc/85/76/06/1081857606.db2.gz UQRTVQXYKGGQMI-FTRWYGJKSA-N 2 2 368.550 4.369 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1nc2ccccc2n1C ZINC000091346765 1081857610 /nfs/dbraw/zinc/85/76/10/1081857610.db2.gz UQRTVQXYKGGQMI-FTRWYGJKSA-N 2 2 368.550 4.369 20 0 FIADLP Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001167386992 1081910045 /nfs/dbraw/zinc/91/00/45/1081910045.db2.gz MTTZASCAFRANJI-XMMPIXPASA-N 2 2 364.533 4.034 20 0 FIADLP Cc1ccc(C[C@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001167386992 1081910046 /nfs/dbraw/zinc/91/00/46/1081910046.db2.gz MTTZASCAFRANJI-XMMPIXPASA-N 2 2 364.533 4.034 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)C[C@@H]1c1ccccc1 ZINC000580578769 1082024507 /nfs/dbraw/zinc/02/45/07/1082024507.db2.gz HQGYLEIRPCLVFI-WOJBJXKFSA-N 2 2 353.510 4.184 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)C[C@@H]1c1ccccc1 ZINC000580578769 1082024512 /nfs/dbraw/zinc/02/45/12/1082024512.db2.gz HQGYLEIRPCLVFI-WOJBJXKFSA-N 2 2 353.510 4.184 20 0 FIADLP CCCCn1c(SCC[C@H]2CCCC[N@@H+]2C)nnc1[C@@H](CC)[NH+](C)C ZINC000255928297 1082259817 /nfs/dbraw/zinc/25/98/17/1082259817.db2.gz OBIRHGHFDLPSTB-IAGOWNOFSA-N 2 2 367.607 4.057 20 0 FIADLP CCCCn1c(SCC[C@H]2CCCC[N@H+]2C)nnc1[C@@H](CC)[NH+](C)C ZINC000255928297 1082259820 /nfs/dbraw/zinc/25/98/20/1082259820.db2.gz OBIRHGHFDLPSTB-IAGOWNOFSA-N 2 2 367.607 4.057 20 0 FIADLP C[C@@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1cccc(OCC[NH+](C)C)c1 ZINC000090228726 1082688313 /nfs/dbraw/zinc/68/83/13/1082688313.db2.gz JMGSFNNJMPHNLO-GFCCVEGCSA-N 2 2 370.390 4.034 20 0 FIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCCNc2ccccc21)c1ccccc1 ZINC000581851409 1082929496 /nfs/dbraw/zinc/92/94/96/1082929496.db2.gz LAPNNAPVMBULPC-JTHBVZDNSA-N 2 2 367.537 4.233 20 0 FIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCCNc2ccccc21)c1ccccc1 ZINC000581851409 1082929497 /nfs/dbraw/zinc/92/94/97/1082929497.db2.gz LAPNNAPVMBULPC-JTHBVZDNSA-N 2 2 367.537 4.233 20 0 FIADLP C[C@H]([NH2+][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1c[nH+]ccc1N ZINC000581878666 1082951733 /nfs/dbraw/zinc/95/17/33/1082951733.db2.gz XKZYVJFRALDDPS-YVEFUNNKSA-N 2 2 368.481 4.485 20 0 FIADLP CO[C@H](C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cs1 ZINC000471854307 1083122014 /nfs/dbraw/zinc/12/20/14/1083122014.db2.gz ZMBPHGWODGPNPC-IMFGXOCKSA-N 2 2 373.566 4.023 20 0 FIADLP CO[C@H](C)c1nc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cs1 ZINC000471854307 1083122021 /nfs/dbraw/zinc/12/20/21/1083122021.db2.gz ZMBPHGWODGPNPC-IMFGXOCKSA-N 2 2 373.566 4.023 20 0 FIADLP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000510658932 1083225025 /nfs/dbraw/zinc/22/50/25/1083225025.db2.gz VUCJXYAWGIAXMC-SJORKVTESA-N 2 2 373.491 4.496 20 0 FIADLP C[C@@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000510665654 1083227278 /nfs/dbraw/zinc/22/72/78/1083227278.db2.gz CJXRAUGUIGTKFK-GJZGRUSLSA-N 2 2 361.480 4.385 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+]CCCCNc1cccc[nH+]1)CC2 ZINC000510753302 1083291524 /nfs/dbraw/zinc/29/15/24/1083291524.db2.gz MKFVAANAZWMOIR-QGZVFWFLSA-N 2 2 360.299 4.313 20 0 FIADLP CC(C)(C)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000658296234 1083398166 /nfs/dbraw/zinc/39/81/66/1083398166.db2.gz YGLKYAFVSPDQBQ-NQIIRXRSSA-N 2 2 356.510 4.363 20 0 FIADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cs1 ZINC000658319078 1083406268 /nfs/dbraw/zinc/40/62/68/1083406268.db2.gz WQKARVVJRJSTGP-APWZRJJASA-N 2 2 355.551 4.404 20 0 FIADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cs1 ZINC000658319078 1083406273 /nfs/dbraw/zinc/40/62/73/1083406273.db2.gz WQKARVVJRJSTGP-APWZRJJASA-N 2 2 355.551 4.404 20 0 FIADLP C[N@H+](Cc1ccc(F)c(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645201 1083461568 /nfs/dbraw/zinc/46/15/68/1083461568.db2.gz PEBVXYOPCZYLAO-UHFFFAOYSA-N 2 2 361.892 4.013 20 0 FIADLP C[N@@H+](Cc1ccc(F)c(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645201 1083461574 /nfs/dbraw/zinc/46/15/74/1083461574.db2.gz PEBVXYOPCZYLAO-UHFFFAOYSA-N 2 2 361.892 4.013 20 0 FIADLP CC/C=C/CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510952011 1083529765 /nfs/dbraw/zinc/52/97/65/1083529765.db2.gz NGOGUMCPMKCUAZ-ONEGZZNKSA-N 2 2 352.276 4.097 20 0 FIADLP CC/C=C/CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510952011 1083529774 /nfs/dbraw/zinc/52/97/74/1083529774.db2.gz NGOGUMCPMKCUAZ-ONEGZZNKSA-N 2 2 352.276 4.097 20 0 FIADLP Clc1nc(Sc2ccccc2)sc1C[NH2+]CCCn1cc[nH+]c1 ZINC000065888264 1083757145 /nfs/dbraw/zinc/75/71/45/1083757145.db2.gz FTAAYRSYXFGTPA-UHFFFAOYSA-N 2 2 364.927 4.324 20 0 FIADLP Fc1ccc(CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)c1 ZINC000570284060 1084000936 /nfs/dbraw/zinc/00/09/36/1084000936.db2.gz RJXDKOLYDFLFAO-MRXNPFEDSA-N 2 2 361.892 4.434 20 0 FIADLP Fc1ccc(CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)c1 ZINC000570284060 1084000949 /nfs/dbraw/zinc/00/09/49/1084000949.db2.gz RJXDKOLYDFLFAO-MRXNPFEDSA-N 2 2 361.892 4.434 20 0 FIADLP COC(=O)c1coc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510997531 1084072150 /nfs/dbraw/zinc/07/21/50/1084072150.db2.gz VJVREQJFSMOAEF-OXJNMPFZSA-N 2 2 370.493 4.018 20 0 FIADLP COC(=O)c1coc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510997531 1084072165 /nfs/dbraw/zinc/07/21/65/1084072165.db2.gz VJVREQJFSMOAEF-OXJNMPFZSA-N 2 2 370.493 4.018 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000892104696 1084299732 /nfs/dbraw/zinc/29/97/32/1084299732.db2.gz DPNJHZGKJYVWFZ-KBPBESRZSA-N 2 2 353.532 4.010 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000892104696 1084299736 /nfs/dbraw/zinc/29/97/36/1084299736.db2.gz DPNJHZGKJYVWFZ-KBPBESRZSA-N 2 2 353.532 4.010 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000892104696 1084299741 /nfs/dbraw/zinc/29/97/41/1084299741.db2.gz DPNJHZGKJYVWFZ-KBPBESRZSA-N 2 2 353.532 4.010 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000892104696 1084299750 /nfs/dbraw/zinc/29/97/50/1084299750.db2.gz DPNJHZGKJYVWFZ-KBPBESRZSA-N 2 2 353.532 4.010 20 0 FIADLP COCCC[C@@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511053291 1084422555 /nfs/dbraw/zinc/42/25/55/1084422555.db2.gz FMNGWNNFYBRWMW-WTIAFYNJSA-N 2 2 352.522 4.059 20 0 FIADLP COCCC[C@@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511053291 1084422558 /nfs/dbraw/zinc/42/25/58/1084422558.db2.gz FMNGWNNFYBRWMW-WTIAFYNJSA-N 2 2 352.522 4.059 20 0 FIADLP CC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC000511054091 1084431920 /nfs/dbraw/zinc/43/19/20/1084431920.db2.gz ILKQPFFGEREAQJ-NEWJYFPISA-N 2 2 364.533 4.059 20 0 FIADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC000511054091 1084431925 /nfs/dbraw/zinc/43/19/25/1084431925.db2.gz ILKQPFFGEREAQJ-NEWJYFPISA-N 2 2 364.533 4.059 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414166168 1084725637 /nfs/dbraw/zinc/72/56/37/1084725637.db2.gz DOGCFYIWBIQAFS-BGRCLHOASA-N 2 2 373.903 4.230 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414166168 1084725643 /nfs/dbraw/zinc/72/56/43/1084725643.db2.gz DOGCFYIWBIQAFS-BGRCLHOASA-N 2 2 373.903 4.230 20 0 FIADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000472577597 1084991289 /nfs/dbraw/zinc/99/12/89/1084991289.db2.gz COGFJQNSANLRLT-MAUKXSAKSA-N 2 2 351.332 4.318 20 0 FIADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000472577597 1084991292 /nfs/dbraw/zinc/99/12/92/1084991292.db2.gz COGFJQNSANLRLT-MAUKXSAKSA-N 2 2 351.332 4.318 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)C[Si](C)(C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001167573928 1084994257 /nfs/dbraw/zinc/99/42/57/1084994257.db2.gz ZVVUSXDTWIVSQH-UNMCSNQZSA-N 2 2 366.625 4.126 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)C[Si](C)(C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001167573928 1084994259 /nfs/dbraw/zinc/99/42/59/1084994259.db2.gz ZVVUSXDTWIVSQH-UNMCSNQZSA-N 2 2 366.625 4.126 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)C[Si](C)(C)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001167573928 1084994266 /nfs/dbraw/zinc/99/42/66/1084994266.db2.gz ZVVUSXDTWIVSQH-UNMCSNQZSA-N 2 2 366.625 4.126 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)C[Si](C)(C)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001167573928 1084994269 /nfs/dbraw/zinc/99/42/69/1084994269.db2.gz ZVVUSXDTWIVSQH-UNMCSNQZSA-N 2 2 366.625 4.126 20 0 FIADLP c1sc(CCc2ccccc2)nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000175900330 1085036180 /nfs/dbraw/zinc/03/61/80/1085036180.db2.gz MQEAJXCBQXDALX-UHFFFAOYSA-N 2 2 369.578 4.236 20 0 FIADLP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2csc(C(F)(F)F)n2)c1 ZINC000892612899 1085049510 /nfs/dbraw/zinc/04/95/10/1085049510.db2.gz PAHMGXKMLXNLPM-UHFFFAOYSA-N 2 2 357.445 4.294 20 0 FIADLP COc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1SC ZINC000158419293 1085078487 /nfs/dbraw/zinc/07/84/87/1085078487.db2.gz JKRREXPTZMRYME-OAHLLOKOSA-N 2 2 353.491 4.454 20 0 FIADLP Cc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000660659889 1085207374 /nfs/dbraw/zinc/20/73/74/1085207374.db2.gz ROHDYLYPUYEZPR-OAQYLSRUSA-N 2 2 370.928 4.023 20 0 FIADLP Cc1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000660659889 1085207386 /nfs/dbraw/zinc/20/73/86/1085207386.db2.gz ROHDYLYPUYEZPR-OAQYLSRUSA-N 2 2 370.928 4.023 20 0 FIADLP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000660659889 1085207398 /nfs/dbraw/zinc/20/73/98/1085207398.db2.gz ROHDYLYPUYEZPR-OAQYLSRUSA-N 2 2 370.928 4.023 20 0 FIADLP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000660659889 1085207410 /nfs/dbraw/zinc/20/74/10/1085207410.db2.gz ROHDYLYPUYEZPR-OAQYLSRUSA-N 2 2 370.928 4.023 20 0 FIADLP Fc1cc(Br)ccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000066876470 1085495928 /nfs/dbraw/zinc/49/59/28/1085495928.db2.gz QYUNPFIJJFCSQV-UHFFFAOYSA-N 2 2 360.230 4.064 20 0 FIADLP COc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc1OC(C)C ZINC000075758080 1085546462 /nfs/dbraw/zinc/54/64/62/1085546462.db2.gz JECFRIBQALZHFW-UHFFFAOYSA-N 2 2 365.477 4.017 20 0 FIADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ncnc4sccc43)cc2)CC1 ZINC000077992344 1085633015 /nfs/dbraw/zinc/63/30/15/1085633015.db2.gz ILGUCLRAVSLANY-UHFFFAOYSA-N 2 2 367.522 4.213 20 0 FIADLP COc1ccc([C@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccccn2)cc1 ZINC000652147902 1085710545 /nfs/dbraw/zinc/71/05/45/1085710545.db2.gz GIDICYHLZGLMME-QFIPXVFZSA-N 2 2 362.477 4.057 20 0 FIADLP CC1(C)CC([NH3+])CC(C)(C)N1c1cc(NC(=O)Nc2ccccc2)cc[nH+]1 ZINC001167624143 1085796019 /nfs/dbraw/zinc/79/60/19/1085796019.db2.gz PFSLGFORJMIADS-UHFFFAOYSA-N 2 2 367.497 4.210 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000582934418 1085938218 /nfs/dbraw/zinc/93/82/18/1085938218.db2.gz OERJIRRWGZSTNI-CYBMUJFWSA-N 2 2 369.456 4.477 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000583290504 1086530049 /nfs/dbraw/zinc/53/00/49/1086530049.db2.gz ZOYHWNOSWSGQQH-GBXCKJPGSA-N 3 2 374.532 4.074 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000583290504 1086530056 /nfs/dbraw/zinc/53/00/56/1086530056.db2.gz ZOYHWNOSWSGQQH-GBXCKJPGSA-N 3 2 374.532 4.074 20 0 FIADLP CCCCc1oc2ccccc2c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750276 1086551087 /nfs/dbraw/zinc/55/10/87/1086551087.db2.gz GBGSBWIASOZPOU-SFHVURJKSA-N 2 2 356.510 4.118 20 0 FIADLP CCC[N@@H+]1CCc2c(N)sc(Nc3ccc(-c4[nH]cc[nH+]4)cc3)c2C1 ZINC001213087780 1086582248 /nfs/dbraw/zinc/58/22/48/1086582248.db2.gz ABZGMFZZFDLRCQ-UHFFFAOYSA-N 2 2 353.495 4.232 20 0 FIADLP CCC[N@H+]1CCc2c(N)sc(Nc3ccc(-c4[nH]cc[nH+]4)cc3)c2C1 ZINC001213087780 1086582255 /nfs/dbraw/zinc/58/22/55/1086582255.db2.gz ABZGMFZZFDLRCQ-UHFFFAOYSA-N 2 2 353.495 4.232 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+]CCOc2ccccc2-c2ccccc2)s1 ZINC000512089096 1086756611 /nfs/dbraw/zinc/75/66/11/1086756611.db2.gz QWCYMVOLDUXYKP-UHFFFAOYSA-N 2 2 367.518 4.040 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)s1 ZINC000512101500 1086766863 /nfs/dbraw/zinc/76/68/63/1086766863.db2.gz ZKOYXOACVOFBNI-UHFFFAOYSA-N 2 2 367.518 4.074 20 0 FIADLP c1cnn(-c2cccc(C[NH2+][C@H]3c4ccccc4CC[C@H]3n3cc[nH+]c3)c2)c1 ZINC000583532911 1086776972 /nfs/dbraw/zinc/77/69/72/1086776972.db2.gz WYQYOMGQFMGGFW-PKTZIBPZSA-N 2 2 369.472 4.087 20 0 FIADLP CC(C)c1[nH+]ccn1Cc1cccc(NCc2ncc(C[NH+](C)C)s2)c1 ZINC000512109200 1086777468 /nfs/dbraw/zinc/77/74/68/1086777468.db2.gz WFEWMHGTVSIINL-UHFFFAOYSA-N 2 2 369.538 4.185 20 0 FIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Br)s1 ZINC000038002472 1086783402 /nfs/dbraw/zinc/78/34/02/1086783402.db2.gz RGLYYZBUFBBOQR-GFCCVEGCSA-N 2 2 366.328 4.225 20 0 FIADLP Clc1ccc(Cl)c(OCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000606447834 1086833534 /nfs/dbraw/zinc/83/35/34/1086833534.db2.gz ANMSSLREPCTTRZ-INIZCTEOSA-N 2 2 357.325 4.323 20 0 FIADLP Clc1ccc(Cl)c(OCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000606447834 1086833544 /nfs/dbraw/zinc/83/35/44/1086833544.db2.gz ANMSSLREPCTTRZ-INIZCTEOSA-N 2 2 357.325 4.323 20 0 FIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cccc2Br ZINC000318604294 1086845427 /nfs/dbraw/zinc/84/54/27/1086845427.db2.gz ADYYMNLZUDYGGW-DLBZAZTESA-N 2 2 362.315 4.337 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000512178314 1086898550 /nfs/dbraw/zinc/89/85/50/1086898550.db2.gz IYRAUBSEUKKINV-HXUWFJFHSA-N 2 2 360.590 4.199 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000512178314 1086898562 /nfs/dbraw/zinc/89/85/62/1086898562.db2.gz IYRAUBSEUKKINV-HXUWFJFHSA-N 2 2 360.590 4.199 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000512178313 1086898828 /nfs/dbraw/zinc/89/88/28/1086898828.db2.gz IYRAUBSEUKKINV-FQEVSTJZSA-N 2 2 360.590 4.199 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000512178313 1086898838 /nfs/dbraw/zinc/89/88/38/1086898838.db2.gz IYRAUBSEUKKINV-FQEVSTJZSA-N 2 2 360.590 4.199 20 0 FIADLP CO[C@@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000583740793 1086942063 /nfs/dbraw/zinc/94/20/63/1086942063.db2.gz TXEMDWPDHBRLLD-XLIONFOSSA-N 2 2 373.928 4.440 20 0 FIADLP CO[C@@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000583740793 1086942065 /nfs/dbraw/zinc/94/20/65/1086942065.db2.gz TXEMDWPDHBRLLD-XLIONFOSSA-N 2 2 373.928 4.440 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000151314418 1087086987 /nfs/dbraw/zinc/08/69/87/1087086987.db2.gz PEZMBNIVXYYVJG-MRXNPFEDSA-N 2 2 374.488 4.012 20 0 FIADLP COc1ccccc1-c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)on1 ZINC000657820485 1087121013 /nfs/dbraw/zinc/12/10/13/1087121013.db2.gz WPLBBGQPWLHEDM-UHFFFAOYSA-N 2 2 369.509 4.237 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(C(F)F)nc1 ZINC000657832249 1087197624 /nfs/dbraw/zinc/19/76/24/1087197624.db2.gz BCAOROOLADADKL-MRXNPFEDSA-N 2 2 359.464 4.377 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCOc3c(Br)cccc32)CC1 ZINC000089513153 1087394486 /nfs/dbraw/zinc/39/44/86/1087394486.db2.gz LDDCYMWESNFPRG-INIZCTEOSA-N 2 2 367.331 4.125 20 0 FIADLP C[C@@H]([NH2+]C1(C[NH2+][C@H](C)C(C)(C)C(F)F)CCOCC1)c1ccccc1 ZINC000657888424 1087545870 /nfs/dbraw/zinc/54/58/70/1087545870.db2.gz LYMIWDZEPHFVOE-HZPDHXFCSA-N 2 2 354.485 4.156 20 0 FIADLP CC(C)C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Br)c1 ZINC000685662305 1087668170 /nfs/dbraw/zinc/66/81/70/1087668170.db2.gz MJOLTSNFNAOJHW-NVXWUHKLSA-N 2 2 362.315 4.407 20 0 FIADLP CC(C)C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Br)c1 ZINC000685662306 1087668292 /nfs/dbraw/zinc/66/82/92/1087668292.db2.gz MJOLTSNFNAOJHW-RDJZCZTQSA-N 2 2 362.315 4.407 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000658194434 1087786087 /nfs/dbraw/zinc/78/60/87/1087786087.db2.gz JWYHCURATHQPMX-VQTJNVASSA-N 2 2 351.881 4.114 20 0 FIADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CC2 ZINC000134404974 1088037571 /nfs/dbraw/zinc/03/75/71/1088037571.db2.gz PWLOLYVBLCKFLH-SCLBCKFNSA-N 2 2 369.336 4.071 20 0 FIADLP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000423363029 1088168031 /nfs/dbraw/zinc/16/80/31/1088168031.db2.gz IRHRLSJLEDFNDP-KEYYUXOJSA-N 2 2 367.262 4.130 20 0 FIADLP O=C(C[C@H]1[NH2+]Cc2ccccc21)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000659251044 1088358170 /nfs/dbraw/zinc/35/81/70/1088358170.db2.gz AEGKYTWLKIPMIT-OAQYLSRUSA-N 2 2 372.472 4.060 20 0 FIADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414843643 1088503068 /nfs/dbraw/zinc/50/30/68/1088503068.db2.gz JWXRMOFSRPIJGA-LAUBAEHRSA-N 2 2 367.537 4.379 20 0 FIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000414848167 1088821557 /nfs/dbraw/zinc/82/15/57/1088821557.db2.gz PTHINTSWVFWPRL-FQEVSTJZSA-N 2 2 352.457 4.129 20 0 FIADLP Clc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000415060824 1089110295 /nfs/dbraw/zinc/11/02/95/1089110295.db2.gz YXGKIUHMSSGNHY-YJBOKZPZSA-N 2 2 361.942 4.428 20 0 FIADLP Clc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000415060824 1089110301 /nfs/dbraw/zinc/11/03/01/1089110301.db2.gz YXGKIUHMSSGNHY-YJBOKZPZSA-N 2 2 361.942 4.428 20 0 FIADLP Fc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(Br)c1 ZINC000415109875 1089165436 /nfs/dbraw/zinc/16/54/36/1089165436.db2.gz RZXOMAFKBMPVSV-FUHWJXTLSA-N 2 2 363.274 4.171 20 0 FIADLP Fc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c(Br)c1 ZINC000415109877 1089166550 /nfs/dbraw/zinc/16/65/50/1089166550.db2.gz RZXOMAFKBMPVSV-WMZOPIPTSA-N 2 2 363.274 4.171 20 0 FIADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000435004391 1089199620 /nfs/dbraw/zinc/19/96/20/1089199620.db2.gz JLYKXNRLIOYGGJ-JOCHJYFZSA-N 2 2 374.488 4.278 20 0 FIADLP Fc1ccc(/C=C/C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(F)c1 ZINC000435058958 1089247096 /nfs/dbraw/zinc/24/70/96/1089247096.db2.gz GLDTUKZOBLNYDX-ONEGZZNKSA-N 2 2 357.448 4.390 20 0 FIADLP CC[N@H+](C)[C@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)c1ccccc1 ZINC000514689920 1089375065 /nfs/dbraw/zinc/37/50/65/1089375065.db2.gz BVWVHAKRYHILLB-FQEVSTJZSA-N 2 2 373.460 4.023 20 0 FIADLP CC[N@@H+](C)[C@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)c1ccccc1 ZINC000514689920 1089375091 /nfs/dbraw/zinc/37/50/91/1089375091.db2.gz BVWVHAKRYHILLB-FQEVSTJZSA-N 2 2 373.460 4.023 20 0 FIADLP c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cn2)nc1 ZINC000425398993 1089836410 /nfs/dbraw/zinc/83/64/10/1089836410.db2.gz VOEJWXSHPHXSRN-NRFANRHFSA-N 2 2 364.537 4.232 20 0 FIADLP c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cn2)nc1 ZINC000425398993 1089836418 /nfs/dbraw/zinc/83/64/18/1089836418.db2.gz VOEJWXSHPHXSRN-NRFANRHFSA-N 2 2 364.537 4.232 20 0 FIADLP c1cc2c(s1)CCC[C@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390565127 1091260580 /nfs/dbraw/zinc/26/05/80/1091260580.db2.gz NLWZACIMZCKUGP-AZUAARDMSA-N 2 2 356.535 4.006 20 0 FIADLP c1cc2c(s1)CCC[C@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390565127 1091260585 /nfs/dbraw/zinc/26/05/85/1091260585.db2.gz NLWZACIMZCKUGP-AZUAARDMSA-N 2 2 356.535 4.006 20 0 FIADLP COC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000279656726 1091960235 /nfs/dbraw/zinc/96/02/35/1091960235.db2.gz CQGUBNUBQISEGK-FQEVSTJZSA-N 2 2 355.869 4.062 20 0 FIADLP CCCOc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(OCCC)c1 ZINC000512364390 1092158822 /nfs/dbraw/zinc/15/88/22/1092158822.db2.gz FQENZYODDAPDSJ-UHFFFAOYSA-N 2 2 357.498 4.367 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000512389418 1092213877 /nfs/dbraw/zinc/21/38/77/1092213877.db2.gz LPABZMOKIVHCGA-UHFFFAOYSA-N 2 2 369.900 4.245 20 0 FIADLP CC1CC[NH+](CCC[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168011800 1092228220 /nfs/dbraw/zinc/22/82/20/1092228220.db2.gz SOLNAINOZJSUCL-NHCUHLMSSA-N 3 2 357.586 4.140 20 0 FIADLP Cc1nn(C(C)C)cc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000467434795 1092234276 /nfs/dbraw/zinc/23/42/76/1092234276.db2.gz FOOQXPFNLGDBJC-PGRDOPGGSA-N 2 2 354.542 4.257 20 0 FIADLP Cc1nn(C(C)C)cc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000467434795 1092234292 /nfs/dbraw/zinc/23/42/92/1092234292.db2.gz FOOQXPFNLGDBJC-PGRDOPGGSA-N 2 2 354.542 4.257 20 0 FIADLP Cc1nn(C(C)C)cc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000467434795 1092234301 /nfs/dbraw/zinc/23/43/01/1092234301.db2.gz FOOQXPFNLGDBJC-PGRDOPGGSA-N 2 2 354.542 4.257 20 0 FIADLP Cc1nn(C(C)C)cc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000467434795 1092234309 /nfs/dbraw/zinc/23/43/09/1092234309.db2.gz FOOQXPFNLGDBJC-PGRDOPGGSA-N 2 2 354.542 4.257 20 0 FIADLP CCCc1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000428236208 1092305331 /nfs/dbraw/zinc/30/53/31/1092305331.db2.gz GOZYFIWTOFWOEB-XLIONFOSSA-N 2 2 355.526 4.420 20 0 FIADLP CCCc1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000428236208 1092305346 /nfs/dbraw/zinc/30/53/46/1092305346.db2.gz GOZYFIWTOFWOEB-XLIONFOSSA-N 2 2 355.526 4.420 20 0 FIADLP CCCc1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000428236208 1092305362 /nfs/dbraw/zinc/30/53/62/1092305362.db2.gz GOZYFIWTOFWOEB-XLIONFOSSA-N 2 2 355.526 4.420 20 0 FIADLP CCCc1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000428236208 1092305386 /nfs/dbraw/zinc/30/53/86/1092305386.db2.gz GOZYFIWTOFWOEB-XLIONFOSSA-N 2 2 355.526 4.420 20 0 FIADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000549678936 1092691300 /nfs/dbraw/zinc/69/13/00/1092691300.db2.gz QTYAVYNRLUKJCV-LJQANCHMSA-N 2 2 352.526 4.426 20 0 FIADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000549678936 1092691307 /nfs/dbraw/zinc/69/13/07/1092691307.db2.gz QTYAVYNRLUKJCV-LJQANCHMSA-N 2 2 352.526 4.426 20 0 FIADLP CC[N@H+](Cc1cncc(C)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000442694707 1092728635 /nfs/dbraw/zinc/72/86/35/1092728635.db2.gz SZGDZRQENZIYTG-UHFFFAOYSA-N 2 2 367.541 4.103 20 0 FIADLP CC[N@@H+](Cc1cncc(C)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000442694707 1092728650 /nfs/dbraw/zinc/72/86/50/1092728650.db2.gz SZGDZRQENZIYTG-UHFFFAOYSA-N 2 2 367.541 4.103 20 0 FIADLP COCCC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000442712551 1092735396 /nfs/dbraw/zinc/73/53/96/1092735396.db2.gz HBQCQYVMXCYAKB-QFIPXVFZSA-N 2 2 367.468 4.328 20 0 FIADLP COCCC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000442711939 1092735491 /nfs/dbraw/zinc/73/54/91/1092735491.db2.gz TTXRCBLVWOQANN-JOCHJYFZSA-N 2 2 367.468 4.328 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc1O ZINC000521944565 1092991867 /nfs/dbraw/zinc/99/18/67/1092991867.db2.gz DZEWJMYUAISTMC-QGZVFWFLSA-N 2 2 354.494 4.024 20 0 FIADLP C[C@H]([NH2+]Cc1nc2ccccc2n1C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000522034545 1093044145 /nfs/dbraw/zinc/04/41/45/1093044145.db2.gz CWKKKEJYMFONCN-ICSRJNTNSA-N 2 2 374.532 4.371 20 0 FIADLP C[C@H]([NH2+]Cc1nc2ccccc2n1C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000522034545 1093044151 /nfs/dbraw/zinc/04/41/51/1093044151.db2.gz CWKKKEJYMFONCN-ICSRJNTNSA-N 2 2 374.532 4.371 20 0 FIADLP C[C@@H]1CC([NH2+][C@H](CO)c2cccc(Cl)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018132 1093164298 /nfs/dbraw/zinc/16/42/98/1093164298.db2.gz BTBONRNAFDYIRU-DRSNIGMVSA-N 2 2 372.940 4.405 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2cccc(Cl)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168018134 1093164645 /nfs/dbraw/zinc/16/46/45/1093164645.db2.gz BTBONRNAFDYIRU-WOSNLTMFSA-N 2 2 372.940 4.405 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2cccc(Cl)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018134 1093164647 /nfs/dbraw/zinc/16/46/47/1093164647.db2.gz BTBONRNAFDYIRU-WOSNLTMFSA-N 2 2 372.940 4.405 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000433104437 1093257214 /nfs/dbraw/zinc/25/72/14/1093257214.db2.gz XDHODNQTFDZTRJ-PMACEKPBSA-N 2 2 360.505 4.440 20 0 FIADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@@H]3C(C)=CCC[C@@H]3C)CCCC2)no1 ZINC000443639441 1093365325 /nfs/dbraw/zinc/36/53/25/1093365325.db2.gz GPOLBGNQUVWFAJ-ZWKOTPCHSA-N 2 2 360.546 4.263 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(Cc2ccccc2)n1 ZINC000191501248 1093422683 /nfs/dbraw/zinc/42/26/83/1093422683.db2.gz KBMKHVYVWNCODK-UHFFFAOYSA-N 2 2 368.550 4.405 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(Cc2ccccc2)n1 ZINC000191501248 1093422687 /nfs/dbraw/zinc/42/26/87/1093422687.db2.gz KBMKHVYVWNCODK-UHFFFAOYSA-N 2 2 368.550 4.405 20 0 FIADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1ccccc1Cl ZINC000512970234 1093607851 /nfs/dbraw/zinc/60/78/51/1093607851.db2.gz PLKNMLNJRFIALG-ZDUSSCGKSA-N 2 2 364.839 4.114 20 0 FIADLP Cc1c(F)cccc1[C@@H](CO)[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168031590 1093639154 /nfs/dbraw/zinc/63/91/54/1093639154.db2.gz ZZNBCXFJLXSHEX-SEPYTNNBSA-N 2 2 370.512 4.199 20 0 FIADLP COc1ccc(F)c(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168031697 1093649462 /nfs/dbraw/zinc/64/94/62/1093649462.db2.gz DQHWWAQEDJLTBP-IRXDYDNUSA-N 2 2 356.485 4.366 20 0 FIADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2c(F)ccc(O)c2F)cc1 ZINC000509896640 1093693111 /nfs/dbraw/zinc/69/31/11/1093693111.db2.gz DLFYOUVTLBAANP-HNNXBMFYSA-N 2 2 360.448 4.335 20 0 FIADLP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2c(F)ccc(O)c2F)cc1 ZINC000509896640 1093693113 /nfs/dbraw/zinc/69/31/13/1093693113.db2.gz DLFYOUVTLBAANP-HNNXBMFYSA-N 2 2 360.448 4.335 20 0 FIADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccnn2-c2ccccc2C)CC1 ZINC000474471165 1093817575 /nfs/dbraw/zinc/81/75/75/1093817575.db2.gz GBOWWXPGGHIOFN-UHFFFAOYSA-N 2 2 374.532 4.243 20 0 FIADLP C[N@H+](Cc1ccc(OCC(F)F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513466809 1094145190 /nfs/dbraw/zinc/14/51/90/1094145190.db2.gz KYHYERSOPJLFJW-UHFFFAOYSA-N 2 2 374.475 4.427 20 0 FIADLP C[N@@H+](Cc1ccc(OCC(F)F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513466809 1094145196 /nfs/dbraw/zinc/14/51/96/1094145196.db2.gz KYHYERSOPJLFJW-UHFFFAOYSA-N 2 2 374.475 4.427 20 0 FIADLP C[C@H](C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000501008223 1094418305 /nfs/dbraw/zinc/41/83/05/1094418305.db2.gz OSHMGCCDEZSRGY-HZPDHXFCSA-N 2 2 365.443 4.497 20 0 FIADLP C[C@H](C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000501008223 1094418315 /nfs/dbraw/zinc/41/83/15/1094418315.db2.gz OSHMGCCDEZSRGY-HZPDHXFCSA-N 2 2 365.443 4.497 20 0 FIADLP C[C@@H]1CC([N@@H+]2CCCC(F)(F)[C@@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168042581 1094698884 /nfs/dbraw/zinc/69/88/84/1094698884.db2.gz ZSBJSFOBXGPSEP-MDZRGWNJSA-N 2 2 354.460 4.497 20 0 FIADLP C[C@@H]1CC([N@H+]2CCCC(F)(F)[C@@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168042581 1094698900 /nfs/dbraw/zinc/69/89/00/1094698900.db2.gz ZSBJSFOBXGPSEP-MDZRGWNJSA-N 2 2 354.460 4.497 20 0 FIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)[nH+]1 ZINC000501454186 1094720871 /nfs/dbraw/zinc/72/08/71/1094720871.db2.gz URXJNSNXQIWRPP-IRLDBZIGSA-N 2 2 360.505 4.185 20 0 FIADLP FC(F)c1cccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000420303300 1094870234 /nfs/dbraw/zinc/87/02/34/1094870234.db2.gz CRJXHQBQXTUBIR-INIZCTEOSA-N 2 2 363.477 4.225 20 0 FIADLP FC(F)c1cccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000420303300 1094870255 /nfs/dbraw/zinc/87/02/55/1094870255.db2.gz CRJXHQBQXTUBIR-INIZCTEOSA-N 2 2 363.477 4.225 20 0 FIADLP c1cc(C[N@H+](Cc2nc(C3CC3)cs2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000420312614 1094875770 /nfs/dbraw/zinc/87/57/70/1094875770.db2.gz ONUXODVUBYFDPU-KRWDZBQOSA-N 2 2 359.564 4.226 20 0 FIADLP c1cc(C[N@@H+](Cc2nc(C3CC3)cs2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000420312614 1094875789 /nfs/dbraw/zinc/87/57/89/1094875789.db2.gz ONUXODVUBYFDPU-KRWDZBQOSA-N 2 2 359.564 4.226 20 0 FIADLP CSc1ccccc1C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000420316445 1094878978 /nfs/dbraw/zinc/87/89/78/1094878978.db2.gz SSHKLQGYIZASLJ-KRWDZBQOSA-N 2 2 359.564 4.009 20 0 FIADLP CSc1ccccc1C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000420316445 1094878998 /nfs/dbraw/zinc/87/89/98/1094878998.db2.gz SSHKLQGYIZASLJ-KRWDZBQOSA-N 2 2 359.564 4.009 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc2c(s1)CCC2 ZINC000502054518 1095074973 /nfs/dbraw/zinc/07/49/73/1095074973.db2.gz SFYQLHDSFJDTRD-XYJFISCASA-N 2 2 355.551 4.193 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2c(s1)CCC2 ZINC000502054518 1095074987 /nfs/dbraw/zinc/07/49/87/1095074987.db2.gz SFYQLHDSFJDTRD-XYJFISCASA-N 2 2 355.551 4.193 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H]2C(C)=CCC[C@@H]2C)[C@@H]1c1cnn(C)c1 ZINC000443855044 1095110379 /nfs/dbraw/zinc/11/03/79/1095110379.db2.gz PEBUTDWSJCTVJG-BLKABHOGSA-N 2 2 358.574 4.117 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H]2C(C)=CCC[C@@H]2C)[C@@H]1c1cnn(C)c1 ZINC000443855044 1095110389 /nfs/dbraw/zinc/11/03/89/1095110389.db2.gz PEBUTDWSJCTVJG-BLKABHOGSA-N 2 2 358.574 4.117 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H]2C(C)=CCC[C@@H]2C)[C@@H]1c1cnn(C)c1 ZINC000443855044 1095110393 /nfs/dbraw/zinc/11/03/93/1095110393.db2.gz PEBUTDWSJCTVJG-BLKABHOGSA-N 2 2 358.574 4.117 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H]2C(C)=CCC[C@@H]2C)[C@@H]1c1cnn(C)c1 ZINC000443855044 1095110399 /nfs/dbraw/zinc/11/03/99/1095110399.db2.gz PEBUTDWSJCTVJG-BLKABHOGSA-N 2 2 358.574 4.117 20 0 FIADLP CC(C)Oc1cccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000420929913 1095170392 /nfs/dbraw/zinc/17/03/92/1095170392.db2.gz DWAKGSOQKRHAHW-IBGZPJMESA-N 2 2 368.521 4.157 20 0 FIADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502320829 1095345380 /nfs/dbraw/zinc/34/53/80/1095345380.db2.gz MSZVXGAOTFVCBD-IBGZPJMESA-N 2 2 353.510 4.386 20 0 FIADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502320829 1095345395 /nfs/dbraw/zinc/34/53/95/1095345395.db2.gz MSZVXGAOTFVCBD-IBGZPJMESA-N 2 2 353.510 4.386 20 0 FIADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1Cl ZINC000502333853 1095370708 /nfs/dbraw/zinc/37/07/08/1095370708.db2.gz PLXOKSPFYHAJGW-MRXNPFEDSA-N 2 2 359.901 4.261 20 0 FIADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1Cl ZINC000502333853 1095370720 /nfs/dbraw/zinc/37/07/20/1095370720.db2.gz PLXOKSPFYHAJGW-MRXNPFEDSA-N 2 2 359.901 4.261 20 0 FIADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502328209 1095385956 /nfs/dbraw/zinc/38/59/56/1095385956.db2.gz UTBQPRQLGCMTTN-IBGZPJMESA-N 2 2 353.510 4.386 20 0 FIADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502328209 1095385973 /nfs/dbraw/zinc/38/59/73/1095385973.db2.gz UTBQPRQLGCMTTN-IBGZPJMESA-N 2 2 353.510 4.386 20 0 FIADLP C[C@@H]1CC([N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168048301 1095445867 /nfs/dbraw/zinc/44/58/67/1095445867.db2.gz VFTJWXUGZKUTJV-LFVIRAHLSA-N 2 2 374.528 4.340 20 0 FIADLP C[C@@H]1CC([N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168048301 1095445876 /nfs/dbraw/zinc/44/58/76/1095445876.db2.gz VFTJWXUGZKUTJV-LFVIRAHLSA-N 2 2 374.528 4.340 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cnn(C2CCCC2)c1 ZINC000502452292 1095474183 /nfs/dbraw/zinc/47/41/83/1095474183.db2.gz MQNABGFOLVBXET-MSOLQXFVSA-N 2 2 367.541 4.269 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(C(F)(F)F)s2)CC[N@@H+]1Cc1ccccc1 ZINC000444000548 1095598171 /nfs/dbraw/zinc/59/81/71/1095598171.db2.gz HCSGAJWPBKPYJC-DZGCQCFKSA-N 2 2 369.456 4.305 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(C(F)(F)F)s2)CC[N@H+]1Cc1ccccc1 ZINC000444000548 1095598182 /nfs/dbraw/zinc/59/81/82/1095598182.db2.gz HCSGAJWPBKPYJC-DZGCQCFKSA-N 2 2 369.456 4.305 20 0 FIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cnn(C2CCCC2)c1 ZINC000502686732 1095701102 /nfs/dbraw/zinc/70/11/02/1095701102.db2.gz LCLYSCQMIBKYNY-GOSISDBHSA-N 2 2 363.509 4.136 20 0 FIADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000421821449 1095934216 /nfs/dbraw/zinc/93/42/16/1095934216.db2.gz RLZIZAVVJVCLER-INIZCTEOSA-N 2 2 369.896 4.487 20 0 FIADLP COc1ccc([C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C2CC2)c(F)c1 ZINC000421824179 1095937544 /nfs/dbraw/zinc/93/75/44/1095937544.db2.gz HKFJGQPKIWPSBN-NRFANRHFSA-N 2 2 351.425 4.261 20 0 FIADLP CC(C)c1ccc(CC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000469179009 1095998446 /nfs/dbraw/zinc/99/84/46/1095998446.db2.gz BJAQADQPQYDQIH-UHFFFAOYSA-N 2 2 365.565 4.386 20 0 FIADLP CC(C)c1ccc(CC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000469179009 1095998454 /nfs/dbraw/zinc/99/84/54/1095998454.db2.gz BJAQADQPQYDQIH-UHFFFAOYSA-N 2 2 365.565 4.386 20 0 FIADLP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(OCC(F)(F)F)c1 ZINC000422859980 1096507235 /nfs/dbraw/zinc/50/72/35/1096507235.db2.gz HSWBGEIHCCYGIX-DLBZAZTESA-N 2 2 350.384 4.171 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1nc(-c2ccncc2)cs1 ZINC000422911592 1096522010 /nfs/dbraw/zinc/52/20/10/1096522010.db2.gz LDGWQRXOCQZWNE-IPELMVKDSA-N 2 2 364.518 4.349 20 0 FIADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422990329 1096540525 /nfs/dbraw/zinc/54/05/25/1096540525.db2.gz BQXSUENXLMXBDJ-DHIUTWEWSA-N 3 2 361.489 4.146 20 0 FIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422990329 1096540530 /nfs/dbraw/zinc/54/05/30/1096540530.db2.gz BQXSUENXLMXBDJ-DHIUTWEWSA-N 3 2 361.489 4.146 20 0 FIADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423086943 1096569536 /nfs/dbraw/zinc/56/95/36/1096569536.db2.gz OHYBYCFNPVYWEF-RBBKRZOGSA-N 2 2 360.505 4.232 20 0 FIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCOc3c(Br)cccc32)c2ccccc21 ZINC000423117129 1096577515 /nfs/dbraw/zinc/57/75/15/1096577515.db2.gz TXAIBLDKVCXSEN-IKGGRYGDSA-N 2 2 359.267 4.007 20 0 FIADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423248723 1096628783 /nfs/dbraw/zinc/62/87/83/1096628783.db2.gz SCWQWZZNCLLPNO-LRQRDZAKSA-N 2 2 372.484 4.124 20 0 FIADLP C[C@@H]([NH3+])c1ccc(NC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000414757965 1096756755 /nfs/dbraw/zinc/75/67/55/1096756755.db2.gz XRRRQLMJIVVDMS-ZIAGYGMSSA-N 2 2 373.526 4.039 20 0 FIADLP C[C@@H]([NH3+])c1ccc(NC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000414757965 1096756760 /nfs/dbraw/zinc/75/67/60/1096756760.db2.gz XRRRQLMJIVVDMS-ZIAGYGMSSA-N 2 2 373.526 4.039 20 0 FIADLP C[C@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[NH+]1CCCCCC1 ZINC000436179529 1098804886 /nfs/dbraw/zinc/80/48/86/1098804886.db2.gz KLNTVCHIZLXCQW-QGZVFWFLSA-N 2 2 366.509 4.089 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC000436497392 1099059036 /nfs/dbraw/zinc/05/90/36/1099059036.db2.gz RZZHSMNSOGJSTB-GOSISDBHSA-N 2 2 366.509 4.135 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC000436497392 1099059051 /nfs/dbraw/zinc/05/90/51/1099059051.db2.gz RZZHSMNSOGJSTB-GOSISDBHSA-N 2 2 366.509 4.135 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533440966 1099066565 /nfs/dbraw/zinc/06/65/65/1099066565.db2.gz TZALUKIBRLRQBU-WOJBJXKFSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533440966 1099066578 /nfs/dbraw/zinc/06/65/78/1099066578.db2.gz TZALUKIBRLRQBU-WOJBJXKFSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533440966 1099066590 /nfs/dbraw/zinc/06/65/90/1099066590.db2.gz TZALUKIBRLRQBU-WOJBJXKFSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533440966 1099066602 /nfs/dbraw/zinc/06/66/02/1099066602.db2.gz TZALUKIBRLRQBU-WOJBJXKFSA-N 2 2 364.537 4.230 20 0 FIADLP Cc1cc(C)c(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c(C)[nH+]1 ZINC000455463264 1099234978 /nfs/dbraw/zinc/23/49/78/1099234978.db2.gz CIZSRMIKWFXWFT-INIZCTEOSA-N 2 2 354.498 4.258 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c(C)[nH+]1 ZINC000455479700 1099250259 /nfs/dbraw/zinc/25/02/59/1099250259.db2.gz NPBCEVFJRKBUGS-UHFFFAOYSA-N 2 2 358.530 4.127 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c(C)[nH+]1 ZINC000455479700 1099250267 /nfs/dbraw/zinc/25/02/67/1099250267.db2.gz NPBCEVFJRKBUGS-UHFFFAOYSA-N 2 2 358.530 4.127 20 0 FIADLP Cc1cc(C)c(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c(C)[nH+]1 ZINC000455478929 1099250314 /nfs/dbraw/zinc/25/03/14/1099250314.db2.gz NFWKCXLEFQSIAP-UHFFFAOYSA-N 2 2 366.509 4.041 20 0 FIADLP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000455487054 1099270806 /nfs/dbraw/zinc/27/08/06/1099270806.db2.gz SCPGZNKLCKOYCM-UHFFFAOYSA-N 2 2 354.498 4.170 20 0 FIADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000516399056 1099445531 /nfs/dbraw/zinc/44/55/31/1099445531.db2.gz SMDLTRLACAOWKC-UHFFFAOYSA-N 2 2 374.488 4.153 20 0 FIADLP Cc1ccc(OCCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000161539783 1099508029 /nfs/dbraw/zinc/50/80/29/1099508029.db2.gz DAOIIMBDXOYSAZ-REWPJTCUSA-N 2 2 367.537 4.049 20 0 FIADLP Cc1ccc(OCCCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000161539783 1099508041 /nfs/dbraw/zinc/50/80/41/1099508041.db2.gz DAOIIMBDXOYSAZ-REWPJTCUSA-N 2 2 367.537 4.049 20 0 FIADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000437126486 1099645138 /nfs/dbraw/zinc/64/51/38/1099645138.db2.gz ODORRWSOEULROW-QFIPXVFZSA-N 2 2 364.537 4.300 20 0 FIADLP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000437126486 1099645144 /nfs/dbraw/zinc/64/51/44/1099645144.db2.gz ODORRWSOEULROW-QFIPXVFZSA-N 2 2 364.537 4.300 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)c3ccccc3)nc2)C[C@H]1C ZINC000437130471 1099648031 /nfs/dbraw/zinc/64/80/31/1099648031.db2.gz VVDJIHUIEPHNRQ-WIYYLYMNSA-N 2 2 352.526 4.154 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)c3ccccc3)nc2)C[C@H]1C ZINC000437130471 1099648036 /nfs/dbraw/zinc/64/80/36/1099648036.db2.gz VVDJIHUIEPHNRQ-WIYYLYMNSA-N 2 2 352.526 4.154 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)C[C@H]1C ZINC000437130471 1099648043 /nfs/dbraw/zinc/64/80/43/1099648043.db2.gz VVDJIHUIEPHNRQ-WIYYLYMNSA-N 2 2 352.526 4.154 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)C[C@H]1C ZINC000437130471 1099648057 /nfs/dbraw/zinc/64/80/57/1099648057.db2.gz VVDJIHUIEPHNRQ-WIYYLYMNSA-N 2 2 352.526 4.154 20 0 FIADLP FC(F)(F)c1ccc(-c2nc(C[NH2+]CC[C@H]3CCC[NH2+]3)cs2)cc1 ZINC000414900389 1099765055 /nfs/dbraw/zinc/76/50/55/1099765055.db2.gz DIDKOWNYLNGPIS-CQSZACIVSA-N 2 2 355.429 4.061 20 0 FIADLP CCc1ccc([C@H](COC)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000508721302 1099938146 /nfs/dbraw/zinc/93/81/46/1099938146.db2.gz PACWOISWEHCOHG-DSKINZAPSA-N 2 2 356.510 4.030 20 0 FIADLP CCc1ccc([C@H](COC)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000508721302 1099938148 /nfs/dbraw/zinc/93/81/48/1099938148.db2.gz PACWOISWEHCOHG-DSKINZAPSA-N 2 2 356.510 4.030 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536672218 1100156220 /nfs/dbraw/zinc/15/62/20/1100156220.db2.gz OPWLQBANNBBACN-NRFANRHFSA-N 2 2 368.569 4.209 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536672218 1100156230 /nfs/dbraw/zinc/15/62/30/1100156230.db2.gz OPWLQBANNBBACN-NRFANRHFSA-N 2 2 368.569 4.209 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536672218 1100156236 /nfs/dbraw/zinc/15/62/36/1100156236.db2.gz OPWLQBANNBBACN-NRFANRHFSA-N 2 2 368.569 4.209 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536672218 1100156240 /nfs/dbraw/zinc/15/62/40/1100156240.db2.gz OPWLQBANNBBACN-NRFANRHFSA-N 2 2 368.569 4.209 20 0 FIADLP CCn1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c2ccccc21 ZINC000379621832 1100223213 /nfs/dbraw/zinc/22/32/13/1100223213.db2.gz FWSAYGOVMMMLCT-QUCCMNQESA-N 2 2 362.521 4.199 20 0 FIADLP CCn1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c2ccccc21 ZINC000379621832 1100223219 /nfs/dbraw/zinc/22/32/19/1100223219.db2.gz FWSAYGOVMMMLCT-QUCCMNQESA-N 2 2 362.521 4.199 20 0 FIADLP COCC[NH+]1CCC([NH2+][C@@H](c2ccsc2)c2ccc(Cl)cc2)CC1 ZINC000536876965 1100399942 /nfs/dbraw/zinc/39/99/42/1100399942.db2.gz MGFQHWRRTDZKKP-LJQANCHMSA-N 2 2 364.942 4.191 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CC[NH2+]1 ZINC000414950329 1100908319 /nfs/dbraw/zinc/90/83/19/1100908319.db2.gz OKPKSKRAKBQBRU-PWSUYJOCSA-N 2 2 356.322 4.347 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1OCCc2sccc21 ZINC000426311653 1101244589 /nfs/dbraw/zinc/24/45/89/1101244589.db2.gz RAGXJYKMEYDWCB-BXTJHSDWSA-N 2 2 353.491 4.287 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(F)cc3c2OCOC3)cc1 ZINC000183676466 1101630769 /nfs/dbraw/zinc/63/07/69/1101630769.db2.gz MLBZVRYUJRTKNX-CQSZACIVSA-N 2 2 367.424 4.037 20 0 FIADLP CCCOc1ccc(Br)cc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000506687832 1101790634 /nfs/dbraw/zinc/79/06/34/1101790634.db2.gz CXVNURYTIUEZDM-UHFFFAOYSA-N 2 2 369.347 4.154 20 0 FIADLP CCCOc1ccc(Br)cc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000506687832 1101790639 /nfs/dbraw/zinc/79/06/39/1101790639.db2.gz CXVNURYTIUEZDM-UHFFFAOYSA-N 2 2 369.347 4.154 20 0 FIADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)c(Cl)c1 ZINC000537455252 1101807325 /nfs/dbraw/zinc/80/73/25/1101807325.db2.gz BKKRJPLSKDVGST-CJNGLKHVSA-N 2 2 362.880 4.188 20 0 FIADLP CC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc(C)ccc1OC ZINC000537456305 1101813782 /nfs/dbraw/zinc/81/37/82/1101813782.db2.gz VHLNILCUSQQOJJ-AZUAARDMSA-N 2 2 368.525 4.102 20 0 FIADLP CC[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000519033339 1101851559 /nfs/dbraw/zinc/85/15/59/1101851559.db2.gz KXRHDLGBWPRSMQ-UHFFFAOYSA-N 2 2 362.521 4.015 20 0 FIADLP CC[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000519033339 1101851574 /nfs/dbraw/zinc/85/15/74/1101851574.db2.gz KXRHDLGBWPRSMQ-UHFFFAOYSA-N 2 2 362.521 4.015 20 0 FIADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)Cc1ccc(Cl)cc1)[C@H]2C ZINC001168176679 1101987124 /nfs/dbraw/zinc/98/71/24/1101987124.db2.gz HYERJXUBAPWJOU-SJORKVTESA-N 2 2 374.960 4.385 20 0 FIADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)Cc1ccc(Cl)cc1)[C@H]2C ZINC001168176679 1101987129 /nfs/dbraw/zinc/98/71/29/1101987129.db2.gz HYERJXUBAPWJOU-SJORKVTESA-N 2 2 374.960 4.385 20 0 FIADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H](C)Cc1ccc(Cl)cc1)[C@H]2C ZINC001168176679 1101987133 /nfs/dbraw/zinc/98/71/33/1101987133.db2.gz HYERJXUBAPWJOU-SJORKVTESA-N 2 2 374.960 4.385 20 0 FIADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H](C)Cc1ccc(Cl)cc1)[C@H]2C ZINC001168176679 1101987136 /nfs/dbraw/zinc/98/71/36/1101987136.db2.gz HYERJXUBAPWJOU-SJORKVTESA-N 2 2 374.960 4.385 20 0 FIADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001168177397 1101994573 /nfs/dbraw/zinc/99/45/73/1101994573.db2.gz PPZZKZSXZWZCHC-UIFIKXQLSA-N 2 2 369.940 4.120 20 0 FIADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001168177397 1101994577 /nfs/dbraw/zinc/99/45/77/1101994577.db2.gz PPZZKZSXZWZCHC-UIFIKXQLSA-N 2 2 369.940 4.120 20 0 FIADLP C[C@H](Cc1ccc(Cl)cc1)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001168177397 1101994585 /nfs/dbraw/zinc/99/45/85/1101994585.db2.gz PPZZKZSXZWZCHC-UIFIKXQLSA-N 2 2 369.940 4.120 20 0 FIADLP C[C@H](Cc1ccc(Cl)cc1)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001168177397 1101994589 /nfs/dbraw/zinc/99/45/89/1101994589.db2.gz PPZZKZSXZWZCHC-UIFIKXQLSA-N 2 2 369.940 4.120 20 0 FIADLP Fc1ccc(OC(F)(F)F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167966336 1102113926 /nfs/dbraw/zinc/11/39/26/1102113926.db2.gz UGDOTDLCRQLYTG-MQVJKMGUSA-N 2 2 372.406 4.219 20 0 FIADLP Fc1ccc(OC(F)(F)F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966336 1102113931 /nfs/dbraw/zinc/11/39/31/1102113931.db2.gz UGDOTDLCRQLYTG-MQVJKMGUSA-N 2 2 372.406 4.219 20 0 FIADLP Cc1cccn2c(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cnc12 ZINC000537630375 1102227577 /nfs/dbraw/zinc/22/75/77/1102227577.db2.gz RBLSZJJJMXWPEC-CTNGQTDRSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccn2c(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cnc12 ZINC000537630375 1102227590 /nfs/dbraw/zinc/22/75/90/1102227590.db2.gz RBLSZJJJMXWPEC-CTNGQTDRSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccn2c(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cnc12 ZINC000537630375 1102227597 /nfs/dbraw/zinc/22/75/97/1102227597.db2.gz RBLSZJJJMXWPEC-CTNGQTDRSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccn2c(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cnc12 ZINC000537630375 1102227606 /nfs/dbraw/zinc/22/76/06/1102227606.db2.gz RBLSZJJJMXWPEC-CTNGQTDRSA-N 2 2 362.521 4.128 20 0 FIADLP CCn1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000537630691 1102254646 /nfs/dbraw/zinc/25/46/46/1102254646.db2.gz BZEWVSLPWORQDB-UWJYYQICSA-N 2 2 354.542 4.005 20 0 FIADLP CCn1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000537630691 1102254654 /nfs/dbraw/zinc/25/46/54/1102254654.db2.gz BZEWVSLPWORQDB-UWJYYQICSA-N 2 2 354.542 4.005 20 0 FIADLP CCn1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000537630691 1102254669 /nfs/dbraw/zinc/25/46/69/1102254669.db2.gz BZEWVSLPWORQDB-UWJYYQICSA-N 2 2 354.542 4.005 20 0 FIADLP CCn1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000537630691 1102254679 /nfs/dbraw/zinc/25/46/79/1102254679.db2.gz BZEWVSLPWORQDB-UWJYYQICSA-N 2 2 354.542 4.005 20 0 FIADLP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1c(F)cccc1Cl ZINC000061069900 1102256291 /nfs/dbraw/zinc/25/62/91/1102256291.db2.gz BVVSUSWHSOQZKI-UHFFFAOYSA-N 2 2 364.892 4.490 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccco2)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000532441723 1102329811 /nfs/dbraw/zinc/32/98/11/1102329811.db2.gz FHAKPWRZKLRPMI-BAGYTPMASA-N 2 2 367.537 4.059 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccco2)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000532441723 1102329821 /nfs/dbraw/zinc/32/98/21/1102329821.db2.gz FHAKPWRZKLRPMI-BAGYTPMASA-N 2 2 367.537 4.059 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C[C@H]1C ZINC000537635880 1102383068 /nfs/dbraw/zinc/38/30/68/1102383068.db2.gz CDMCMNKXNSYYNZ-GCJKJVERSA-N 2 2 368.569 4.161 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C[C@H]1C ZINC000537635880 1102383081 /nfs/dbraw/zinc/38/30/81/1102383081.db2.gz CDMCMNKXNSYYNZ-GCJKJVERSA-N 2 2 368.569 4.161 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C[C@H]1C ZINC000537635880 1102383097 /nfs/dbraw/zinc/38/30/97/1102383097.db2.gz CDMCMNKXNSYYNZ-GCJKJVERSA-N 2 2 368.569 4.161 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C[C@H]1C ZINC000537635880 1102383108 /nfs/dbraw/zinc/38/31/08/1102383108.db2.gz CDMCMNKXNSYYNZ-GCJKJVERSA-N 2 2 368.569 4.161 20 0 FIADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000121896555 1102495379 /nfs/dbraw/zinc/49/53/79/1102495379.db2.gz YMWNCACQDWNZSD-GOSISDBHSA-N 2 2 359.901 4.227 20 0 FIADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1)C2 ZINC001168243316 1102591656 /nfs/dbraw/zinc/59/16/56/1102591656.db2.gz IEAUMAYTARRKSK-OEMFJLHTSA-N 2 2 358.485 4.193 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000537648701 1102689860 /nfs/dbraw/zinc/68/98/60/1102689860.db2.gz UHGQFPNKOACMDB-AWEZNQCLSA-N 2 2 369.336 4.433 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000537648701 1102689872 /nfs/dbraw/zinc/68/98/72/1102689872.db2.gz UHGQFPNKOACMDB-AWEZNQCLSA-N 2 2 369.336 4.433 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)cn1 ZINC000126437571 1102706062 /nfs/dbraw/zinc/70/60/62/1102706062.db2.gz GCXBLYRHJOEIPI-MRXNPFEDSA-N 2 2 350.466 4.214 20 0 FIADLP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551005562 1102772352 /nfs/dbraw/zinc/77/23/52/1102772352.db2.gz JTIHICRRAXOZFI-IRLDBZIGSA-N 2 2 365.521 4.350 20 0 FIADLP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551005562 1102772367 /nfs/dbraw/zinc/77/23/67/1102772367.db2.gz JTIHICRRAXOZFI-IRLDBZIGSA-N 2 2 365.521 4.350 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Cl)ccc1Cl ZINC000655755968 1102774660 /nfs/dbraw/zinc/77/46/60/1102774660.db2.gz JUXIFKXEJXLNKI-CZUORRHYSA-N 2 2 357.325 4.287 20 0 FIADLP CCCOc1c(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cccc1OCC ZINC000608067504 1102858650 /nfs/dbraw/zinc/85/86/50/1102858650.db2.gz HXUHYPSXRPWHIG-GOSISDBHSA-N 2 2 357.498 4.046 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C[C@@H]1c1ccccc1 ZINC000551196991 1102974798 /nfs/dbraw/zinc/97/47/98/1102974798.db2.gz LTEIXYGHSAFDOZ-WMZHIEFXSA-N 2 2 367.512 4.351 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C[C@@H]1c1ccccc1 ZINC000551196991 1102974802 /nfs/dbraw/zinc/97/48/02/1102974802.db2.gz LTEIXYGHSAFDOZ-WMZHIEFXSA-N 2 2 367.512 4.351 20 0 FIADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCC[NH+]2C2CC2)CC1 ZINC000551278107 1103037405 /nfs/dbraw/zinc/03/74/05/1103037405.db2.gz LQDIUFMTIJIFOF-YDPRHXJPSA-N 3 2 355.570 4.036 20 0 FIADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCC[NH+]2C2CC2)CC1 ZINC000551278107 1103037420 /nfs/dbraw/zinc/03/74/20/1103037420.db2.gz LQDIUFMTIJIFOF-YDPRHXJPSA-N 3 2 355.570 4.036 20 0 FIADLP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000551278107 1103037433 /nfs/dbraw/zinc/03/74/33/1103037433.db2.gz LQDIUFMTIJIFOF-YDPRHXJPSA-N 3 2 355.570 4.036 20 0 FIADLP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000551278107 1103037449 /nfs/dbraw/zinc/03/74/49/1103037449.db2.gz LQDIUFMTIJIFOF-YDPRHXJPSA-N 3 2 355.570 4.036 20 0 FIADLP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000507313852 1103286948 /nfs/dbraw/zinc/28/69/48/1103286948.db2.gz FPDIBKDZKJJHCP-UHFFFAOYSA-N 2 2 371.488 4.327 20 0 FIADLP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000507313852 1103286962 /nfs/dbraw/zinc/28/69/62/1103286962.db2.gz FPDIBKDZKJJHCP-UHFFFAOYSA-N 2 2 371.488 4.327 20 0 FIADLP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1Cl ZINC000551818489 1103677844 /nfs/dbraw/zinc/67/78/44/1103677844.db2.gz UXZRDAIBBGSKFM-OXQOHEQNSA-N 2 2 373.928 4.134 20 0 FIADLP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1Cl ZINC000551818489 1103677849 /nfs/dbraw/zinc/67/78/49/1103677849.db2.gz UXZRDAIBBGSKFM-OXQOHEQNSA-N 2 2 373.928 4.134 20 0 FIADLP CC(C)[NH+]1CCC([NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000519763476 1103834753 /nfs/dbraw/zinc/83/47/53/1103834753.db2.gz CWDJBRXEZLDXET-UHFFFAOYSA-N 2 2 351.288 4.158 20 0 FIADLP Clc1cccc(N2CCCC2)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000538281453 1104102394 /nfs/dbraw/zinc/10/23/94/1104102394.db2.gz FSUSTDJWKASZKS-GOSISDBHSA-N 2 2 361.961 4.391 20 0 FIADLP Clc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000538281453 1104102400 /nfs/dbraw/zinc/10/24/00/1104102400.db2.gz FSUSTDJWKASZKS-GOSISDBHSA-N 2 2 361.961 4.391 20 0 FIADLP Clc1cccc(Cl)c1OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441395961 1104328874 /nfs/dbraw/zinc/32/88/74/1104328874.db2.gz BCOHUVOTCBNBIQ-KDOFPFPSSA-N 2 2 369.336 4.321 20 0 FIADLP Clc1cccc(Cl)c1OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441395961 1104328885 /nfs/dbraw/zinc/32/88/85/1104328885.db2.gz BCOHUVOTCBNBIQ-KDOFPFPSSA-N 2 2 369.336 4.321 20 0 FIADLP Clc1cccc(Cl)c1OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441395961 1104328895 /nfs/dbraw/zinc/32/88/95/1104328895.db2.gz BCOHUVOTCBNBIQ-KDOFPFPSSA-N 2 2 369.336 4.321 20 0 FIADLP Clc1cccc(Cl)c1OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441395961 1104328906 /nfs/dbraw/zinc/32/89/06/1104328906.db2.gz BCOHUVOTCBNBIQ-KDOFPFPSSA-N 2 2 369.336 4.321 20 0 FIADLP C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188602944 1104743935 /nfs/dbraw/zinc/74/39/35/1104743935.db2.gz KFEYQCPOUQRJDM-ZVZYQTTQSA-N 2 2 367.415 4.007 20 0 FIADLP c1cn(-c2ccccc2-c2noc([C@H]3[NH2+]CCC[C@@H]3c3ccccc3)n2)c[nH+]1 ZINC001211870871 1105054152 /nfs/dbraw/zinc/05/41/52/1105054152.db2.gz XMEQRGYTBGHMDJ-XLIONFOSSA-N 2 2 371.444 4.131 20 0 FIADLP COc1ccc2nc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)sc2c1 ZINC000473998491 1105054616 /nfs/dbraw/zinc/05/46/16/1105054616.db2.gz ADOLMTGMWBBNBC-UHFFFAOYSA-N 2 2 359.539 4.049 20 0 FIADLP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000507949493 1105281588 /nfs/dbraw/zinc/28/15/88/1105281588.db2.gz NEJBETDGBKCSHK-XVAXZDLZSA-N 2 2 372.553 4.141 20 0 FIADLP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000507949493 1105281592 /nfs/dbraw/zinc/28/15/92/1105281592.db2.gz NEJBETDGBKCSHK-XVAXZDLZSA-N 2 2 372.553 4.141 20 0 FIADLP Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427876386 1105299572 /nfs/dbraw/zinc/29/95/72/1105299572.db2.gz MHHMRUQDSJHTRM-FZMZJTMJSA-N 2 2 352.265 4.008 20 0 FIADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(SCC(F)(F)F)cc1 ZINC000427879820 1105300553 /nfs/dbraw/zinc/30/05/53/1105300553.db2.gz YPXNDEAVYVNCDS-OCCSQVGLSA-N 2 2 355.429 4.203 20 0 FIADLP Clc1ccc(C[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427866202 1105302592 /nfs/dbraw/zinc/30/25/92/1105302592.db2.gz KIYFZZFYJJTIFS-WOJBJXKFSA-N 2 2 351.881 4.425 20 0 FIADLP Clc1ccc(C[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427866201 1105302773 /nfs/dbraw/zinc/30/27/73/1105302773.db2.gz KIYFZZFYJJTIFS-VQTJNVASSA-N 2 2 351.881 4.425 20 0 FIADLP Fc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cnc3ccccc3c2)cc1 ZINC000427880918 1105308755 /nfs/dbraw/zinc/30/87/55/1105308755.db2.gz XHXUPIGWYKBQDA-REWPJTCUSA-N 2 2 372.447 4.264 20 0 FIADLP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000427883867 1105310111 /nfs/dbraw/zinc/31/01/11/1105310111.db2.gz DSCRGTHYAQVZBA-DENIHFKCSA-N 2 2 354.542 4.039 20 0 FIADLP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)n1 ZINC000427883867 1105310119 /nfs/dbraw/zinc/31/01/19/1105310119.db2.gz DSCRGTHYAQVZBA-DENIHFKCSA-N 2 2 354.542 4.039 20 0 FIADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000427891855 1105312499 /nfs/dbraw/zinc/31/24/99/1105312499.db2.gz FGVGOFOICIXXFD-OXJNMPFZSA-N 2 2 365.452 4.267 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000475351726 1106741613 /nfs/dbraw/zinc/74/16/13/1106741613.db2.gz AVTIMELVHMTOBU-HJZRJOMTSA-N 2 2 352.444 4.185 20 0 FIADLP C[C@@H]1CC([NH+]2CC3(C2)CC(F)(F)CS3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063197 1106798835 /nfs/dbraw/zinc/79/88/35/1106798835.db2.gz MJSYOUKCFQBZEA-HZPDHXFCSA-N 2 2 366.521 4.255 20 0 FIADLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1Cl ZINC000450925993 1106820514 /nfs/dbraw/zinc/82/05/14/1106820514.db2.gz KFNMLIRVMDUPPB-MRXNPFEDSA-N 2 2 359.901 4.261 20 0 FIADLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1Cl ZINC000450925993 1106820527 /nfs/dbraw/zinc/82/05/27/1106820527.db2.gz KFNMLIRVMDUPPB-MRXNPFEDSA-N 2 2 359.901 4.261 20 0 FIADLP Brc1ccsc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192918848 1106902632 /nfs/dbraw/zinc/90/26/32/1106902632.db2.gz XUHFQFCKURBYKG-OAHLLOKOSA-N 2 2 365.340 4.122 20 0 FIADLP Brc1ccsc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918848 1106902637 /nfs/dbraw/zinc/90/26/37/1106902637.db2.gz XUHFQFCKURBYKG-OAHLLOKOSA-N 2 2 365.340 4.122 20 0 FIADLP Fc1ccccc1-c1nc2c(s1)[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530218967 1106918895 /nfs/dbraw/zinc/91/88/95/1106918895.db2.gz KJAMAUVCCOGANB-DOTOQJQBSA-N 2 2 357.498 4.201 20 0 FIADLP COc1ccc([C@@H]([NH2+]CCc2c[nH+]cn2C)c2ccccc2Cl)cc1 ZINC000530354809 1106981680 /nfs/dbraw/zinc/98/16/80/1106981680.db2.gz GGLCOVGGLVTYNU-HXUWFJFHSA-N 2 2 355.869 4.004 20 0 FIADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ncnc4ccccc43)cc2)CC1 ZINC000301349708 1107001007 /nfs/dbraw/zinc/00/10/07/1107001007.db2.gz IHUJJAYBOIURSL-UHFFFAOYSA-N 2 2 361.493 4.151 20 0 FIADLP Cn1c[nH+]cc1CC[NH2+][C@H](c1cc(F)ccc1F)c1ccccc1Cl ZINC000530460294 1107055738 /nfs/dbraw/zinc/05/57/38/1107055738.db2.gz INRPFLSXYHFALK-IBGZPJMESA-N 2 2 361.823 4.273 20 0 FIADLP Cc1ccc(-n2cc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000531582208 1107998757 /nfs/dbraw/zinc/99/87/57/1107998757.db2.gz JQPALXIEXJTOLB-MJGOQNOKSA-N 2 2 354.542 4.051 20 0 FIADLP Cc1ccc(-n2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000531582208 1107998761 /nfs/dbraw/zinc/99/87/61/1107998761.db2.gz JQPALXIEXJTOLB-MJGOQNOKSA-N 2 2 354.542 4.051 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000444657372 1108052941 /nfs/dbraw/zinc/05/29/41/1108052941.db2.gz CGWVFXINBCYBNX-INIZCTEOSA-N 2 2 358.555 4.379 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000444657372 1108052953 /nfs/dbraw/zinc/05/29/53/1108052953.db2.gz CGWVFXINBCYBNX-INIZCTEOSA-N 2 2 358.555 4.379 20 0 FIADLP CC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2OC(F)F)CC1 ZINC000531735524 1108103389 /nfs/dbraw/zinc/10/33/89/1108103389.db2.gz ZZKDUBXZCKRGDO-UHFFFAOYSA-N 2 2 353.240 4.169 20 0 FIADLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2sccc21 ZINC000453067970 1108120688 /nfs/dbraw/zinc/12/06/88/1108120688.db2.gz SKIBRXBXDUITNJ-UZLBHIALSA-N 2 2 356.535 4.309 20 0 FIADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCCC2 ZINC000453194195 1108262571 /nfs/dbraw/zinc/26/25/71/1108262571.db2.gz ASZDBSYRLLSYGP-RDJZCZTQSA-N 2 2 360.299 4.018 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453202695 1108273170 /nfs/dbraw/zinc/27/31/70/1108273170.db2.gz ZHKMHFJHZNCHOD-HBFSDRIKSA-N 2 2 366.553 4.391 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000453202695 1108273181 /nfs/dbraw/zinc/27/31/81/1108273181.db2.gz ZHKMHFJHZNCHOD-HBFSDRIKSA-N 2 2 366.553 4.391 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3csc(C)c3)CC2)cc1 ZINC000453330819 1108387932 /nfs/dbraw/zinc/38/79/32/1108387932.db2.gz SVQLBCHXZFMCDB-MRXNPFEDSA-N 2 2 371.550 4.330 20 0 FIADLP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000531938865 1108411767 /nfs/dbraw/zinc/41/17/67/1108411767.db2.gz KXMCRDQXYOYTOI-JOCHJYFZSA-N 2 2 367.468 4.385 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C(C3CCC3)C3CCC3)CC2)cc1 ZINC000453324436 1108415736 /nfs/dbraw/zinc/41/57/36/1108415736.db2.gz LEAHSSUSXIFGRQ-UHFFFAOYSA-N 2 2 369.553 4.168 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3sccc3C)CC2)cc1 ZINC000453323964 1108416591 /nfs/dbraw/zinc/41/65/91/1108416591.db2.gz KHIUKOOCGQTPKL-INIZCTEOSA-N 2 2 371.550 4.330 20 0 FIADLP CCCCOc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1OCC ZINC000525182826 1109293815 /nfs/dbraw/zinc/29/38/15/1109293815.db2.gz LSOUFTSQWFGUQY-LJQANCHMSA-N 2 2 371.525 4.436 20 0 FIADLP CCc1ccc(-c2ccc(C[NH2+]C3CC[NH+](CCCOC)CC3)o2)cc1 ZINC000525289856 1109329067 /nfs/dbraw/zinc/32/90/67/1109329067.db2.gz YYSIDPIMIFUYRE-UHFFFAOYSA-N 2 2 356.510 4.100 20 0 FIADLP CC[N@@H+](Cc1ccnn1-c1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000448330830 1109773827 /nfs/dbraw/zinc/77/38/27/1109773827.db2.gz FUHSYQZULUUVCE-QFIPXVFZSA-N 2 2 374.532 4.216 20 0 FIADLP CC[N@H+](Cc1ccnn1-c1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000448330830 1109773829 /nfs/dbraw/zinc/77/38/29/1109773829.db2.gz FUHSYQZULUUVCE-QFIPXVFZSA-N 2 2 374.532 4.216 20 0 FIADLP CC[NH+](Cc1ccnn1-c1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000448330830 1109773831 /nfs/dbraw/zinc/77/38/31/1109773831.db2.gz FUHSYQZULUUVCE-QFIPXVFZSA-N 2 2 374.532 4.216 20 0 FIADLP CC[NH+](Cc1ccnn1-c1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000448330830 1109773835 /nfs/dbraw/zinc/77/38/35/1109773835.db2.gz FUHSYQZULUUVCE-QFIPXVFZSA-N 2 2 374.532 4.216 20 0 FIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cnc(CCc4ccccc4)s3)C2)[nH]1 ZINC000449018210 1109954799 /nfs/dbraw/zinc/95/47/99/1109954799.db2.gz RUXXOLIJLIFCOT-QGZVFWFLSA-N 2 2 352.507 4.031 20 0 FIADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cnc(CCc4ccccc4)s3)C2)[nH]1 ZINC000449018210 1109954800 /nfs/dbraw/zinc/95/48/00/1109954800.db2.gz RUXXOLIJLIFCOT-QGZVFWFLSA-N 2 2 352.507 4.031 20 0 FIADLP Fc1ccccc1-c1ncc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000449080262 1109975032 /nfs/dbraw/zinc/97/50/32/1109975032.db2.gz URNCIXMHDLXVFE-UHFFFAOYSA-N 2 2 368.481 4.103 20 0 FIADLP c1nc(CCc2ccccc2)sc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000449096196 1109975616 /nfs/dbraw/zinc/97/56/16/1109975616.db2.gz FNJLKCGBURUKBU-UHFFFAOYSA-N 2 2 355.551 4.035 20 0 FIADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc3ccccc3n2)CC1 ZINC000449105756 1109976890 /nfs/dbraw/zinc/97/68/90/1109976890.db2.gz ZRDVSQKUDXYSLO-LJQANCHMSA-N 2 2 359.517 4.420 20 0 FIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccnn2C2CCCC2)c(C)c1 ZINC000449213875 1109997504 /nfs/dbraw/zinc/99/75/04/1109997504.db2.gz XOBZFYQVBZFTKR-QFIPXVFZSA-N 2 2 363.509 4.343 20 0 FIADLP COCC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1ccc(C)o1 ZINC000449226698 1110002292 /nfs/dbraw/zinc/00/22/92/1110002292.db2.gz NLIXZXZXHGLDLQ-PGRDOPGGSA-N 2 2 370.537 4.351 20 0 FIADLP COCC[C@@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)c1ccco1 ZINC000449229889 1110003656 /nfs/dbraw/zinc/00/36/56/1110003656.db2.gz FTXWZGUJXFTFOP-WIYYLYMNSA-N 2 2 356.510 4.042 20 0 FIADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cccc3ccoc31)CC2 ZINC000449263761 1110019056 /nfs/dbraw/zinc/01/90/56/1110019056.db2.gz JLWLWHUQUFZNAB-SFHVURJKSA-N 2 2 367.518 4.376 20 0 FIADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cccc3ccoc31)CC2 ZINC000449263761 1110019058 /nfs/dbraw/zinc/01/90/58/1110019058.db2.gz JLWLWHUQUFZNAB-SFHVURJKSA-N 2 2 367.518 4.376 20 0 FIADLP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000449298257 1110020539 /nfs/dbraw/zinc/02/05/39/1110020539.db2.gz JBPMSWBUUHUWOM-QWQCLYJRSA-N 2 2 367.306 4.182 20 0 FIADLP Cc1c[nH+]c(NCCSCc2csc(C[NH+](C)C)n2)c2ccccc12 ZINC001168108605 1110042777 /nfs/dbraw/zinc/04/27/77/1110042777.db2.gz DWMHANSMLXZNJT-UHFFFAOYSA-N 2 2 372.563 4.407 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]CCC3CCCCC3)CC2)cc1 ZINC000449523883 1110098507 /nfs/dbraw/zinc/09/85/07/1110098507.db2.gz MJBDHUQQLNSEBB-UHFFFAOYSA-N 2 2 357.542 4.169 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H](C(C)C)C3)CC2)cc1 ZINC000449526652 1110099539 /nfs/dbraw/zinc/09/95/39/1110099539.db2.gz XAQODYXQGRHXLF-NFBKMPQASA-N 2 2 371.569 4.414 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000449526043 1110099762 /nfs/dbraw/zinc/09/97/62/1110099762.db2.gz VCCRJRDMZJAXBS-YPGOJHLTSA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000449526690 1110099946 /nfs/dbraw/zinc/09/99/46/1110099946.db2.gz XKUDVQQIHAHRPX-XLIONFOSSA-N 2 2 357.542 4.025 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000449526688 1110100177 /nfs/dbraw/zinc/10/01/77/1110100177.db2.gz XKUDVQQIHAHRPX-FXAWDEMLSA-N 2 2 357.542 4.025 20 0 FIADLP CC[N@@H+](Cc1ccc(C(C)=O)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000450454142 1110300210 /nfs/dbraw/zinc/30/02/10/1110300210.db2.gz KKEFUPQLLBSSNH-UHFFFAOYSA-N 2 2 351.494 4.023 20 0 FIADLP CC[N@H+](Cc1ccc(C(C)=O)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000450454142 1110300213 /nfs/dbraw/zinc/30/02/13/1110300213.db2.gz KKEFUPQLLBSSNH-UHFFFAOYSA-N 2 2 351.494 4.023 20 0 FIADLP CC(C)c1nnc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000450656042 1110325132 /nfs/dbraw/zinc/32/51/32/1110325132.db2.gz ZTKYDJPCDKELRN-UHFFFAOYSA-N 2 2 370.566 4.150 20 0 FIADLP CC(C)c1nnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000450656042 1110325134 /nfs/dbraw/zinc/32/51/34/1110325134.db2.gz ZTKYDJPCDKELRN-UHFFFAOYSA-N 2 2 370.566 4.150 20 0 FIADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H](c3ccccc3)C3CC3)C2)cc1 ZINC000390516503 1110336696 /nfs/dbraw/zinc/33/66/96/1110336696.db2.gz APANRSUQIRRRAT-DHIUTWEWSA-N 2 2 350.506 4.018 20 0 FIADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H](c3ccccc3)C3CC3)C2)cc1 ZINC000390516503 1110336700 /nfs/dbraw/zinc/33/67/00/1110336700.db2.gz APANRSUQIRRRAT-DHIUTWEWSA-N 2 2 350.506 4.018 20 0 FIADLP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C12CCCCC2 ZINC000538397746 1111123506 /nfs/dbraw/zinc/12/35/06/1111123506.db2.gz AWVOEBRBNRSCFX-SFTDATJTSA-N 2 2 353.510 4.149 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000538559717 1111193787 /nfs/dbraw/zinc/19/37/87/1111193787.db2.gz KMMUWAAHTUKWLX-WIYYLYMNSA-N 2 2 350.510 4.004 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000538559717 1111193789 /nfs/dbraw/zinc/19/37/89/1111193789.db2.gz KMMUWAAHTUKWLX-WIYYLYMNSA-N 2 2 350.510 4.004 20 0 FIADLP CC[N@H+](Cc1ccc(C)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538731511 1111268317 /nfs/dbraw/zinc/26/83/17/1111268317.db2.gz QJTSBJKSCSPBKF-UHFFFAOYSA-N 2 2 356.514 4.301 20 0 FIADLP CC[N@@H+](Cc1ccc(C)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538731511 1111268319 /nfs/dbraw/zinc/26/83/19/1111268319.db2.gz QJTSBJKSCSPBKF-UHFFFAOYSA-N 2 2 356.514 4.301 20 0 FIADLP Cc1cccc2ncc(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)n21 ZINC000538732131 1111269407 /nfs/dbraw/zinc/26/94/07/1111269407.db2.gz MPYLCAHIMNTVAB-TZIWHRDSSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccc2ncc(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)n21 ZINC000538732131 1111269412 /nfs/dbraw/zinc/26/94/12/1111269412.db2.gz MPYLCAHIMNTVAB-TZIWHRDSSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccc2ncc(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)n21 ZINC000538732131 1111269418 /nfs/dbraw/zinc/26/94/18/1111269418.db2.gz MPYLCAHIMNTVAB-TZIWHRDSSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccc2ncc(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)n21 ZINC000538732131 1111269419 /nfs/dbraw/zinc/26/94/19/1111269419.db2.gz MPYLCAHIMNTVAB-TZIWHRDSSA-N 2 2 362.521 4.128 20 0 FIADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1 ZINC000538732712 1111269445 /nfs/dbraw/zinc/26/94/45/1111269445.db2.gz LNNGSNIHJLNJNN-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1 ZINC000538732712 1111269446 /nfs/dbraw/zinc/26/94/46/1111269446.db2.gz LNNGSNIHJLNJNN-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1 ZINC000538732712 1111269447 /nfs/dbraw/zinc/26/94/47/1111269447.db2.gz LNNGSNIHJLNJNN-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1 ZINC000538732712 1111269448 /nfs/dbraw/zinc/26/94/48/1111269448.db2.gz LNNGSNIHJLNJNN-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1OCC(C)C ZINC000538751035 1111281611 /nfs/dbraw/zinc/28/16/11/1111281611.db2.gz MBCGWEDDNPLAGU-HXUWFJFHSA-N 2 2 360.542 4.038 20 0 FIADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1OCC(C)C ZINC000538751035 1111281612 /nfs/dbraw/zinc/28/16/12/1111281612.db2.gz MBCGWEDDNPLAGU-HXUWFJFHSA-N 2 2 360.542 4.038 20 0 FIADLP FC(F)Oc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000538799341 1111295670 /nfs/dbraw/zinc/29/56/70/1111295670.db2.gz ZXSBBEVLDQWTFO-WMLDXEAASA-N 2 2 370.871 4.390 20 0 FIADLP FC(F)Oc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000538799341 1111295675 /nfs/dbraw/zinc/29/56/75/1111295675.db2.gz ZXSBBEVLDQWTFO-WMLDXEAASA-N 2 2 370.871 4.390 20 0 FIADLP FC(F)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000538799341 1111295679 /nfs/dbraw/zinc/29/56/79/1111295679.db2.gz ZXSBBEVLDQWTFO-WMLDXEAASA-N 2 2 370.871 4.390 20 0 FIADLP FC(F)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000538799341 1111295683 /nfs/dbraw/zinc/29/56/83/1111295683.db2.gz ZXSBBEVLDQWTFO-WMLDXEAASA-N 2 2 370.871 4.390 20 0 FIADLP FC(F)Oc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000538799342 1111295966 /nfs/dbraw/zinc/29/59/66/1111295966.db2.gz ZXSBBEVLDQWTFO-YOEHRIQHSA-N 2 2 370.871 4.390 20 0 FIADLP FC(F)Oc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000538799342 1111295968 /nfs/dbraw/zinc/29/59/68/1111295968.db2.gz ZXSBBEVLDQWTFO-YOEHRIQHSA-N 2 2 370.871 4.390 20 0 FIADLP FC(F)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000538799342 1111295973 /nfs/dbraw/zinc/29/59/73/1111295973.db2.gz ZXSBBEVLDQWTFO-YOEHRIQHSA-N 2 2 370.871 4.390 20 0 FIADLP FC(F)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000538799342 1111295980 /nfs/dbraw/zinc/29/59/80/1111295980.db2.gz ZXSBBEVLDQWTFO-YOEHRIQHSA-N 2 2 370.871 4.390 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000553180543 1111925418 /nfs/dbraw/zinc/92/54/18/1111925418.db2.gz ZHKAIBAJLZJUEE-RXVVDRJESA-N 2 2 368.569 4.203 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000553180543 1111925419 /nfs/dbraw/zinc/92/54/19/1111925419.db2.gz ZHKAIBAJLZJUEE-RXVVDRJESA-N 2 2 368.569 4.203 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000553180543 1111925420 /nfs/dbraw/zinc/92/54/20/1111925420.db2.gz ZHKAIBAJLZJUEE-RXVVDRJESA-N 2 2 368.569 4.203 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000553180543 1111925423 /nfs/dbraw/zinc/92/54/23/1111925423.db2.gz ZHKAIBAJLZJUEE-RXVVDRJESA-N 2 2 368.569 4.203 20 0 FIADLP c1cn(-c2cccc(C[NH2+][C@@H]3CCCc4nn(-c5ccccc5)cc43)c2)c[nH+]1 ZINC000479054362 1111938043 /nfs/dbraw/zinc/93/80/43/1111938043.db2.gz GHSJBWGPBJNAKX-JOCHJYFZSA-N 2 2 369.472 4.225 20 0 FIADLP CCC(CC)(C[NH2+][C@H]1CCCc2nn(C)cc21)[NH2+][C@H](C)c1ccccc1 ZINC000479057300 1111938307 /nfs/dbraw/zinc/93/83/07/1111938307.db2.gz HUSJKUJEQAKIGJ-XLIONFOSSA-N 2 2 354.542 4.297 20 0 FIADLP CC(C)C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000479429924 1112027300 /nfs/dbraw/zinc/02/73/00/1112027300.db2.gz KCGZHGXYYOEGSA-IRXDYDNUSA-N 2 2 362.315 4.337 20 0 FIADLP C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000479458264 1112031015 /nfs/dbraw/zinc/03/10/15/1112031015.db2.gz SIBYDUVKRYORNS-QBIMZIAESA-N 2 2 374.326 4.264 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000479473500 1112036896 /nfs/dbraw/zinc/03/68/96/1112036896.db2.gz AWSHRXAYJDITPN-HVETUWLQSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000479473500 1112036901 /nfs/dbraw/zinc/03/69/01/1112036901.db2.gz AWSHRXAYJDITPN-HVETUWLQSA-N 2 2 353.485 4.098 20 0 FIADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000479474029 1112037075 /nfs/dbraw/zinc/03/70/75/1112037075.db2.gz CAFTXVJAQBRJGQ-ONTIZHBOSA-N 2 2 356.554 4.468 20 0 FIADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000479474027 1112037187 /nfs/dbraw/zinc/03/71/87/1112037187.db2.gz CAFTXVJAQBRJGQ-JAXLGGSGSA-N 2 2 356.554 4.468 20 0 FIADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Br)c(F)c1 ZINC000479507856 1112050562 /nfs/dbraw/zinc/05/05/62/1112050562.db2.gz BBSABLHVJLATSW-LRVUVFPRSA-N 2 2 355.295 4.256 20 0 FIADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000667534047 1112107897 /nfs/dbraw/zinc/10/78/97/1112107897.db2.gz KWSTZNMLQYDVEU-UHFFFAOYSA-N 2 2 357.473 4.319 20 0 FIADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000667534047 1112107898 /nfs/dbraw/zinc/10/78/98/1112107898.db2.gz KWSTZNMLQYDVEU-UHFFFAOYSA-N 2 2 357.473 4.319 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000553945032 1112140427 /nfs/dbraw/zinc/14/04/27/1112140427.db2.gz SGCDGAIIJIQPTB-FQEVSTJZSA-N 2 2 355.869 4.047 20 0 FIADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480071346 1112268867 /nfs/dbraw/zinc/26/88/67/1112268867.db2.gz ONNZRZLCCAZZEI-IERDGZPVSA-N 2 2 368.912 4.479 20 0 FIADLP COc1cc(C)ccc1[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000554268133 1112274196 /nfs/dbraw/zinc/27/41/96/1112274196.db2.gz KWVIELWUDMYDJB-QGZVFWFLSA-N 2 2 368.525 4.102 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+](C)Cc1ccccc1 ZINC000480148048 1112302505 /nfs/dbraw/zinc/30/25/05/1112302505.db2.gz PQIWXWQFOQNZJG-QPPBQGQZSA-N 3 2 365.565 4.009 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+](C)Cc1ccccc1 ZINC000480148048 1112302512 /nfs/dbraw/zinc/30/25/12/1112302512.db2.gz PQIWXWQFOQNZJG-QPPBQGQZSA-N 3 2 365.565 4.009 20 0 FIADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000480148048 1112302517 /nfs/dbraw/zinc/30/25/17/1112302517.db2.gz PQIWXWQFOQNZJG-QPPBQGQZSA-N 3 2 365.565 4.009 20 0 FIADLP Cc1nn(C)c2sc([C@@H](C)[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)cc12 ZINC000554346972 1112308873 /nfs/dbraw/zinc/30/88/73/1112308873.db2.gz LSEAVEQYSLQQPT-OAHLLOKOSA-N 2 2 365.506 4.039 20 0 FIADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2ccccc2n1 ZINC000480251955 1112351465 /nfs/dbraw/zinc/35/14/65/1112351465.db2.gz ULBNXIUUFRCQMJ-HXUWFJFHSA-N 2 2 374.532 4.098 20 0 FIADLP c1ccc(C[NH+]2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000554622126 1112422240 /nfs/dbraw/zinc/42/22/40/1112422240.db2.gz NRTUTXMZCXIHJZ-UHFFFAOYSA-N 3 2 355.570 4.038 20 0 FIADLP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000480453876 1112430316 /nfs/dbraw/zinc/43/03/16/1112430316.db2.gz MTYHBKWKJDYWKE-UHFFFAOYSA-N 2 2 374.532 4.394 20 0 FIADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2nc3cccc(Cl)c3n2C)CC1 ZINC000480692048 1112548423 /nfs/dbraw/zinc/54/84/23/1112548423.db2.gz FOAYUYUNRLFIOQ-HNAYVOBHSA-N 2 2 374.960 4.359 20 0 FIADLP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)CCC3)cc1 ZINC000480747743 1112584436 /nfs/dbraw/zinc/58/44/36/1112584436.db2.gz FMDJVIFRNWMRDY-RDJZCZTQSA-N 2 2 352.507 4.371 20 0 FIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(Br)ccc1F ZINC000480759361 1112590180 /nfs/dbraw/zinc/59/01/80/1112590180.db2.gz GAYQVZQDFGLEMN-LBPRGKRZSA-N 2 2 366.278 4.014 20 0 FIADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)CCC3)cc1 ZINC000480770367 1112597777 /nfs/dbraw/zinc/59/77/77/1112597777.db2.gz RGFNHZIEEGXXQZ-WMLDXEAASA-N 2 2 368.506 4.071 20 0 FIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@H]3CO[C@H](C4CC4)C3)cc2)c[nH+]1 ZINC000667843547 1112813582 /nfs/dbraw/zinc/81/35/82/1112813582.db2.gz GZCDZVPJASTFJX-VWNXMTODSA-N 2 2 373.500 4.256 20 0 FIADLP CC(C)C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000481319613 1112890351 /nfs/dbraw/zinc/89/03/51/1112890351.db2.gz HYKSDNYIVMSMHV-QHCPKHFHSA-N 2 2 352.522 4.396 20 0 FIADLP CC1(C)CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc21 ZINC000481920803 1113132355 /nfs/dbraw/zinc/13/23/55/1113132355.db2.gz VPSAFPXGFMASRX-HSZRJFAPSA-N 2 2 364.533 4.421 20 0 FIADLP Cc1ccc([C@@H](Cc2ccccc2)[NH2+]CC2([NH+](C)C)CCOCC2)cc1C ZINC000482941811 1113404459 /nfs/dbraw/zinc/40/44/59/1113404459.db2.gz CAVAPSBTDUCTQW-HSZRJFAPSA-N 2 2 366.549 4.288 20 0 FIADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000483220854 1113467873 /nfs/dbraw/zinc/46/78/73/1113467873.db2.gz PTLCAAGOUVQOHF-ZBFHGGJFSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000483220854 1113467876 /nfs/dbraw/zinc/46/78/76/1113467876.db2.gz PTLCAAGOUVQOHF-ZBFHGGJFSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@H](c1cccc(Br)c1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000483220854 1113467878 /nfs/dbraw/zinc/46/78/78/1113467878.db2.gz PTLCAAGOUVQOHF-ZBFHGGJFSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@H](c1cccc(Br)c1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000483220854 1113467880 /nfs/dbraw/zinc/46/78/80/1113467880.db2.gz PTLCAAGOUVQOHF-ZBFHGGJFSA-N 2 2 351.332 4.174 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c(Cl)s2)C[C@@H]1C ZINC000483279029 1113479144 /nfs/dbraw/zinc/47/91/44/1113479144.db2.gz DSJGTYBDTSOFBL-WDEREUQCSA-N 2 2 365.768 4.469 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c(Cl)s2)C[C@@H]1C ZINC000483279029 1113479146 /nfs/dbraw/zinc/47/91/46/1113479146.db2.gz DSJGTYBDTSOFBL-WDEREUQCSA-N 2 2 365.768 4.469 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)c(Cl)s2)C[C@@H]1C ZINC000483279029 1113479147 /nfs/dbraw/zinc/47/91/47/1113479147.db2.gz DSJGTYBDTSOFBL-WDEREUQCSA-N 2 2 365.768 4.469 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)c(Cl)s2)C[C@@H]1C ZINC000483279029 1113479149 /nfs/dbraw/zinc/47/91/49/1113479149.db2.gz DSJGTYBDTSOFBL-WDEREUQCSA-N 2 2 365.768 4.469 20 0 FIADLP C[NH+](C)CCC1CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000483288484 1113480828 /nfs/dbraw/zinc/48/08/28/1113480828.db2.gz HHKPDRGMGNQLFP-UHFFFAOYSA-N 2 2 365.768 4.328 20 0 FIADLP Fc1ccc(C[NH+]2CCC([NH2+]Cc3cc4ccc(F)cc4[nH]3)CC2)cc1 ZINC000486719061 1113629281 /nfs/dbraw/zinc/62/92/81/1113629281.db2.gz FYIMHWVORADAMP-UHFFFAOYSA-N 2 2 355.432 4.200 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488135389 1113860833 /nfs/dbraw/zinc/86/08/33/1113860833.db2.gz DLCKVKNPBNOMCC-AWEZNQCLSA-N 2 2 352.309 4.224 20 0 FIADLP CC[NH+](CC)CC1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000488419980 1113924523 /nfs/dbraw/zinc/92/45/23/1113924523.db2.gz MWXFBMJAHDBAFM-UHFFFAOYSA-N 2 2 369.340 4.195 20 0 FIADLP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488514159 1113945703 /nfs/dbraw/zinc/94/57/03/1113945703.db2.gz IVOYEVTWZPQKFU-NRFANRHFSA-N 2 2 366.484 4.189 20 0 FIADLP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488514159 1113945704 /nfs/dbraw/zinc/94/57/04/1113945704.db2.gz IVOYEVTWZPQKFU-NRFANRHFSA-N 2 2 366.484 4.189 20 0 FIADLP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488514159 1113945705 /nfs/dbraw/zinc/94/57/05/1113945705.db2.gz IVOYEVTWZPQKFU-NRFANRHFSA-N 2 2 366.484 4.189 20 0 FIADLP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488514159 1113945706 /nfs/dbraw/zinc/94/57/06/1113945706.db2.gz IVOYEVTWZPQKFU-NRFANRHFSA-N 2 2 366.484 4.189 20 0 FIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCc2ccc(F)cc21 ZINC000489331387 1114090448 /nfs/dbraw/zinc/09/04/48/1114090448.db2.gz PKNCDTGMKVNSPG-NRFANRHFSA-N 2 2 353.485 4.447 20 0 FIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCc2ccc(F)cc21 ZINC000489331387 1114090452 /nfs/dbraw/zinc/09/04/52/1114090452.db2.gz PKNCDTGMKVNSPG-NRFANRHFSA-N 2 2 353.485 4.447 20 0 FIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Br)c(F)c1 ZINC000489480147 1114118050 /nfs/dbraw/zinc/11/80/50/1114118050.db2.gz ADUKVXBBZIJJKK-GFCCVEGCSA-N 2 2 352.251 4.136 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(Br)c(F)c1)CCC2 ZINC000489541693 1114130058 /nfs/dbraw/zinc/13/00/58/1114130058.db2.gz BVBLFHWAMIVHOQ-OCCSQVGLSA-N 2 2 366.278 4.321 20 0 FIADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CC3 ZINC000490163727 1114227780 /nfs/dbraw/zinc/22/77/80/1114227780.db2.gz GPIBHVZXROXMBP-SFHVURJKSA-N 2 2 356.473 4.309 20 0 FIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988786 1114360255 /nfs/dbraw/zinc/36/02/55/1114360255.db2.gz QKDXIKNXFZPQDW-VCBZYWHSSA-N 2 2 370.368 4.012 20 0 FIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988786 1114360259 /nfs/dbraw/zinc/36/02/59/1114360259.db2.gz QKDXIKNXFZPQDW-VCBZYWHSSA-N 2 2 370.368 4.012 20 0 FIADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cccc(OCCCc3ccccc3)c1)C2 ZINC000572208649 1114622281 /nfs/dbraw/zinc/62/22/81/1114622281.db2.gz XXPBJXKMYDIPEM-HXUWFJFHSA-N 2 2 361.489 4.068 20 0 FIADLP CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000593691445 1115342947 /nfs/dbraw/zinc/34/29/47/1115342947.db2.gz PUZIJOCWSUYTGK-SFTDATJTSA-N 2 2 370.537 4.021 20 0 FIADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000489797820 1115782094 /nfs/dbraw/zinc/78/20/94/1115782094.db2.gz BZNODLFXPUGUKI-LJQANCHMSA-N 2 2 359.901 4.017 20 0 FIADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000489797820 1115782098 /nfs/dbraw/zinc/78/20/98/1115782098.db2.gz BZNODLFXPUGUKI-LJQANCHMSA-N 2 2 359.901 4.017 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccccc1 ZINC000608076206 1116081041 /nfs/dbraw/zinc/08/10/41/1116081041.db2.gz YQAOGELRPRIQAC-IBGZPJMESA-N 2 2 371.431 4.138 20 0 FIADLP Fc1ccc(COc2cccc(C[NH2+]CCCCn3cc[nH+]c3)c2)cc1 ZINC000534301588 1116181779 /nfs/dbraw/zinc/18/17/79/1116181779.db2.gz FIUDKPHQDWEFSB-UHFFFAOYSA-N 2 2 353.441 4.171 20 0 FIADLP CC[C@H](C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000546869832 1116241314 /nfs/dbraw/zinc/24/13/14/1116241314.db2.gz NCNBCFPKXDJLAA-RTWAWAEBSA-N 2 2 357.929 4.483 20 0 FIADLP COc1ccc([C@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)C(C)C)cc1 ZINC000539658706 1116360870 /nfs/dbraw/zinc/36/08/70/1116360870.db2.gz FVEKJZFBASRVPM-DENIHFKCSA-N 2 2 368.525 4.040 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CC(C)(C)c4ccccc43)[nH+]c2)CC1 ZINC000539687429 1116364651 /nfs/dbraw/zinc/36/46/51/1116364651.db2.gz BYXJMWLESPNZIW-NRFANRHFSA-N 2 2 364.537 4.447 20 0 FIADLP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000539817117 1116384316 /nfs/dbraw/zinc/38/43/16/1116384316.db2.gz AMYRANRGEFAJKN-GOSISDBHSA-N 2 2 351.332 4.208 20 0 FIADLP Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000539817117 1116384317 /nfs/dbraw/zinc/38/43/17/1116384317.db2.gz AMYRANRGEFAJKN-GOSISDBHSA-N 2 2 351.332 4.208 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)C)[C@H](C)C1 ZINC000539817816 1116384619 /nfs/dbraw/zinc/38/46/19/1116384619.db2.gz COIWNRNIDFXPHP-WIYYLYMNSA-N 2 2 354.542 4.158 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)C)[C@H](C)C1 ZINC000539817816 1116384621 /nfs/dbraw/zinc/38/46/21/1116384621.db2.gz COIWNRNIDFXPHP-WIYYLYMNSA-N 2 2 354.542 4.158 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)[C@H](C)C1 ZINC000539817816 1116384623 /nfs/dbraw/zinc/38/46/23/1116384623.db2.gz COIWNRNIDFXPHP-WIYYLYMNSA-N 2 2 354.542 4.158 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)[C@H](C)C1 ZINC000539817816 1116384624 /nfs/dbraw/zinc/38/46/24/1116384624.db2.gz COIWNRNIDFXPHP-WIYYLYMNSA-N 2 2 354.542 4.158 20 0 FIADLP CC[N@@H+](Cc1cc(F)c(F)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539822208 1116386058 /nfs/dbraw/zinc/38/60/58/1116386058.db2.gz JTSATZLNYJHBNP-UHFFFAOYSA-N 2 2 363.427 4.237 20 0 FIADLP CC[N@H+](Cc1cc(F)c(F)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539822208 1116386060 /nfs/dbraw/zinc/38/60/60/1116386060.db2.gz JTSATZLNYJHBNP-UHFFFAOYSA-N 2 2 363.427 4.237 20 0 FIADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000539897712 1117739731 /nfs/dbraw/zinc/73/97/31/1117739731.db2.gz APWZJGBEVBAKBL-WMZOPIPTSA-N 2 2 366.933 4.054 20 0 FIADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000539897712 1117739734 /nfs/dbraw/zinc/73/97/34/1117739734.db2.gz APWZJGBEVBAKBL-WMZOPIPTSA-N 2 2 366.933 4.054 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000539897712 1117739736 /nfs/dbraw/zinc/73/97/36/1117739736.db2.gz APWZJGBEVBAKBL-WMZOPIPTSA-N 2 2 366.933 4.054 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000539897712 1117739740 /nfs/dbraw/zinc/73/97/40/1117739740.db2.gz APWZJGBEVBAKBL-WMZOPIPTSA-N 2 2 366.933 4.054 20 0 FIADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000539898424 1117740211 /nfs/dbraw/zinc/74/02/11/1117740211.db2.gz QTBJBCQNBOVJRK-FYYLOGMGSA-N 3 2 369.597 4.093 20 0 FIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000539898424 1117740216 /nfs/dbraw/zinc/74/02/16/1117740216.db2.gz QTBJBCQNBOVJRK-FYYLOGMGSA-N 3 2 369.597 4.093 20 0 FIADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000539898424 1117740220 /nfs/dbraw/zinc/74/02/20/1117740220.db2.gz QTBJBCQNBOVJRK-FYYLOGMGSA-N 3 2 369.597 4.093 20 0 FIADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000539898424 1117740223 /nfs/dbraw/zinc/74/02/23/1117740223.db2.gz QTBJBCQNBOVJRK-FYYLOGMGSA-N 3 2 369.597 4.093 20 0 FIADLP Fc1ccc(C[NH+]2CCC(Nc3cc[nH+]c4ccsc43)CC2)cc1F ZINC000462780164 1117763089 /nfs/dbraw/zinc/76/30/89/1117763089.db2.gz PMGVMWDBODVKDU-UHFFFAOYSA-N 2 2 359.445 4.073 20 0 FIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c3ccccc32)CC1 ZINC000462915572 1117859883 /nfs/dbraw/zinc/85/98/83/1117859883.db2.gz WHNAFIRQNRDVFR-INIZCTEOSA-N 2 2 372.484 4.047 20 0 FIADLP C[C@@H]([NH2+][C@@H]1CCOc2c(F)ccc(F)c21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462942148 1117871207 /nfs/dbraw/zinc/87/12/07/1117871207.db2.gz FJVJDWSUFNIJDE-OXFYSEKESA-N 2 2 372.459 4.289 20 0 FIADLP C[C@@H]([NH2+][C@@H]1CCOc2c(F)ccc(F)c21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462942148 1117871213 /nfs/dbraw/zinc/87/12/13/1117871213.db2.gz FJVJDWSUFNIJDE-OXFYSEKESA-N 2 2 372.459 4.289 20 0 FIADLP c1cn(-c2ccc(-c3nc(-c4ccc(C[NH+]5CCCC5)cc4)no3)cc2)c[nH+]1 ZINC000761424849 1117874343 /nfs/dbraw/zinc/87/43/43/1117874343.db2.gz OXISJTDEZMJXAF-UHFFFAOYSA-N 2 2 371.444 4.185 20 0 FIADLP COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540141519 1117893859 /nfs/dbraw/zinc/89/38/59/1117893859.db2.gz FJEUPLPGSUKTBH-ROUUACIJSA-N 2 2 365.477 4.247 20 0 FIADLP COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540141517 1117894266 /nfs/dbraw/zinc/89/42/66/1117894266.db2.gz FJEUPLPGSUKTBH-MSOLQXFVSA-N 2 2 365.477 4.247 20 0 FIADLP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H](C)c3ccncc3)CC1)CCC2 ZINC000540150963 1117905698 /nfs/dbraw/zinc/90/56/98/1117905698.db2.gz JXZLIPUWFQFYSY-GAJHUEQPSA-N 2 2 365.521 4.283 20 0 FIADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1nc2ccc(Cl)cc2n1C ZINC000540300807 1117975163 /nfs/dbraw/zinc/97/51/63/1117975163.db2.gz SRQBJRKGPILFAA-CXAGYDPISA-N 2 2 350.938 4.244 20 0 FIADLP CCCOc1cccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000463188148 1118017651 /nfs/dbraw/zinc/01/76/51/1118017651.db2.gz FXKUQSHJIPLMBX-UHFFFAOYSA-N 2 2 358.448 4.024 20 0 FIADLP Cc1cccc(OCCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1C ZINC000463245734 1118052044 /nfs/dbraw/zinc/05/20/44/1118052044.db2.gz SGPADBJSBYTVDN-UHFFFAOYSA-N 2 2 358.448 4.079 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000463263672 1118058416 /nfs/dbraw/zinc/05/84/16/1118058416.db2.gz DDMOZZNRDNMIRY-HGHGUNKESA-N 2 2 354.469 4.292 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)CC[N@H+]1Cc1ccccc1 ZINC000463263672 1118058421 /nfs/dbraw/zinc/05/84/21/1118058421.db2.gz DDMOZZNRDNMIRY-HGHGUNKESA-N 2 2 354.469 4.292 20 0 FIADLP COc1c2ccccc2oc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463280019 1118067363 /nfs/dbraw/zinc/06/73/63/1118067363.db2.gz LBJIFEAQICBBGL-UHFFFAOYSA-N 2 2 364.489 4.238 20 0 FIADLP CC(C)C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccs1 ZINC000540756196 1118224551 /nfs/dbraw/zinc/22/45/51/1118224551.db2.gz FFZCBOIWMLCKHR-ROUUACIJSA-N 2 2 358.555 4.483 20 0 FIADLP CSc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1F ZINC000540756724 1118225168 /nfs/dbraw/zinc/22/51/68/1118225168.db2.gz MKKREMMNOAHOJC-PBHICJAKSA-N 2 2 374.529 4.256 20 0 FIADLP Cc1ccc2c(c1)[C@H](Nc1ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]1)CCC2 ZINC000540758677 1118225928 /nfs/dbraw/zinc/22/59/28/1118225928.db2.gz VWTYUANNKSARSC-TZIWHRDSSA-N 2 2 350.510 4.020 20 0 FIADLP Cc1ccc([C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C2CC2)cc1 ZINC000540789348 1118248135 /nfs/dbraw/zinc/24/81/35/1118248135.db2.gz OMZRLDWZRMJSHH-QHCPKHFHSA-N 2 2 364.537 4.484 20 0 FIADLP CC(C)[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1 ZINC000540790729 1118248432 /nfs/dbraw/zinc/24/84/32/1118248432.db2.gz QVBYUQLOBFGKSD-JOCHJYFZSA-N 2 2 352.526 4.421 20 0 FIADLP COc1ccc(Oc2ccc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)cc2)cc1 ZINC000541317787 1118473799 /nfs/dbraw/zinc/47/37/99/1118473799.db2.gz UERLARGGAKOWOS-KRWDZBQOSA-N 2 2 351.450 4.110 20 0 FIADLP CCc1cccc2c(CC[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)c[nH]c21 ZINC000541541038 1118547767 /nfs/dbraw/zinc/54/77/67/1118547767.db2.gz YYUBBAGZFQKDNW-UHFFFAOYSA-N 2 2 350.491 4.310 20 0 FIADLP Cc1cc([C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)c2cccnc2)ccc1F ZINC000541548395 1118551792 /nfs/dbraw/zinc/55/17/92/1118551792.db2.gz CVRBDNFEAZENNO-AVRDEDQJSA-N 2 2 355.501 4.473 20 0 FIADLP Cc1cc([C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c2cccnc2)ccc1F ZINC000541548395 1118551794 /nfs/dbraw/zinc/55/17/94/1118551794.db2.gz CVRBDNFEAZENNO-AVRDEDQJSA-N 2 2 355.501 4.473 20 0 FIADLP CC[N@H+](CCOC1CCCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806661 1118707633 /nfs/dbraw/zinc/70/76/33/1118707633.db2.gz QWICTVPJTCVQOU-UHFFFAOYSA-N 2 2 359.558 4.359 20 0 FIADLP CC[N@@H+](CCOC1CCCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806661 1118707638 /nfs/dbraw/zinc/70/76/38/1118707638.db2.gz QWICTVPJTCVQOU-UHFFFAOYSA-N 2 2 359.558 4.359 20 0 FIADLP Brc1ccc(C2CC([NH2+]CCCNc3cccc[nH+]3)C2)cc1 ZINC000491914256 1118993711 /nfs/dbraw/zinc/99/37/11/1118993711.db2.gz OAWAIYHOEUCVGL-UHFFFAOYSA-N 2 2 360.299 4.182 20 0 FIADLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168445503 1119155750 /nfs/dbraw/zinc/15/57/50/1119155750.db2.gz KTRVRAKUDNPYSZ-QFIPXVFZSA-N 2 2 370.487 4.419 20 0 FIADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168445503 1119155751 /nfs/dbraw/zinc/15/57/51/1119155751.db2.gz KTRVRAKUDNPYSZ-QFIPXVFZSA-N 2 2 370.487 4.419 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCc3cc(Br)cc(C)c31)CCC2 ZINC000493763158 1119492430 /nfs/dbraw/zinc/49/24/30/1119492430.db2.gz DPRVPEDFMXGECI-DOTOQJQBSA-N 2 2 374.326 4.417 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(Br)c(Cl)c1)CCC2 ZINC000494144130 1119546250 /nfs/dbraw/zinc/54/62/50/1119546250.db2.gz DXFRKVLSZJSSLY-ZDUSSCGKSA-N 2 2 368.706 4.275 20 0 FIADLP Brc1cccc(-c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)o2)c1 ZINC000494424741 1119855454 /nfs/dbraw/zinc/85/54/54/1119855454.db2.gz JAYCBGQMPYRVJZ-HNNXBMFYSA-N 2 2 372.266 4.010 20 0 FIADLP C[N@H+](Cc1ccccc1C[NH2+]Cc1cn(C(C)(C)C)nn1)C1CCCCC1 ZINC000190843347 1119950557 /nfs/dbraw/zinc/95/05/57/1119950557.db2.gz MDKSZWBZIWHIKX-UHFFFAOYSA-N 2 2 369.557 4.087 20 0 FIADLP C[N@@H+](Cc1ccccc1C[NH2+]Cc1cn(C(C)(C)C)nn1)C1CCCCC1 ZINC000190843347 1119950558 /nfs/dbraw/zinc/95/05/58/1119950558.db2.gz MDKSZWBZIWHIKX-UHFFFAOYSA-N 2 2 369.557 4.087 20 0 FIADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cnn1C(C)(C)C ZINC000191163092 1119963383 /nfs/dbraw/zinc/96/33/83/1119963383.db2.gz VRPDGKVDMUGSAP-MRXNPFEDSA-N 2 2 351.498 4.042 20 0 FIADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CCS2 ZINC000191501033 1119980096 /nfs/dbraw/zinc/98/00/96/1119980096.db2.gz NVZBVUCRLAQTAC-GOSISDBHSA-N 2 2 351.475 4.208 20 0 FIADLP CC(C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)Cc1ccccc1 ZINC000191603826 1119986467 /nfs/dbraw/zinc/98/64/67/1119986467.db2.gz HTKBMPRXSLZQPR-JOCHJYFZSA-N 2 2 351.538 4.151 20 0 FIADLP COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000191631169 1119987548 /nfs/dbraw/zinc/98/75/48/1119987548.db2.gz KEJQMALPWJSADC-CYBMUJFWSA-N 2 2 369.347 4.371 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccnn1-c1ccccc1 ZINC000467375019 1119988163 /nfs/dbraw/zinc/98/81/63/1119988163.db2.gz ABQIEMIZTCTUPV-MRXNPFEDSA-N 2 2 361.424 4.048 20 0 FIADLP Fc1cncc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000494609406 1119995139 /nfs/dbraw/zinc/99/51/39/1119995139.db2.gz ONMHZYKHOIVPPR-UHFFFAOYSA-N 2 2 372.447 4.422 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000192151348 1120030362 /nfs/dbraw/zinc/03/03/62/1120030362.db2.gz ZJHGLIKVXBQWSO-KRWDZBQOSA-N 2 2 374.488 4.380 20 0 FIADLP COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1OC ZINC000192157247 1120032516 /nfs/dbraw/zinc/03/25/16/1120032516.db2.gz QHYZDSPKIGTRIT-OAHLLOKOSA-N 2 2 369.440 4.188 20 0 FIADLP COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)o1 ZINC000192191706 1120038134 /nfs/dbraw/zinc/03/81/34/1120038134.db2.gz VIPMBNLGVQSVRA-HXUWFJFHSA-N 2 2 351.450 4.257 20 0 FIADLP COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)o1 ZINC000192191706 1120038142 /nfs/dbraw/zinc/03/81/42/1120038142.db2.gz VIPMBNLGVQSVRA-HXUWFJFHSA-N 2 2 351.450 4.257 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000494993110 1120421371 /nfs/dbraw/zinc/42/13/71/1120421371.db2.gz BBCKQEBWXPGUCS-AOIWGVFYSA-N 2 2 351.485 4.097 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000494993110 1120421375 /nfs/dbraw/zinc/42/13/75/1120421375.db2.gz BBCKQEBWXPGUCS-AOIWGVFYSA-N 2 2 351.485 4.097 20 0 FIADLP Cc1ccc2c(c1)[C@H](Nc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)[C@@H](C)C2 ZINC000495025093 1120433086 /nfs/dbraw/zinc/43/30/86/1120433086.db2.gz GTSBINUNZLHRDZ-GAJHUEQPSA-N 2 2 364.537 4.266 20 0 FIADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cc(Br)ncc1F ZINC000762760320 1120960315 /nfs/dbraw/zinc/96/03/15/1120960315.db2.gz LXGVZYFARATNAW-FZMZJTMJSA-N 2 2 360.315 4.000 20 0 FIADLP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000397978783 1121330432 /nfs/dbraw/zinc/33/04/32/1121330432.db2.gz LPNUTOCIQMSASI-MBSDFSHPSA-N 2 2 365.521 4.350 20 0 FIADLP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000397978783 1121330442 /nfs/dbraw/zinc/33/04/42/1121330442.db2.gz LPNUTOCIQMSASI-MBSDFSHPSA-N 2 2 365.521 4.350 20 0 FIADLP COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000057620970 1121376399 /nfs/dbraw/zinc/37/63/99/1121376399.db2.gz PCZZJSQFXIOAES-OAQYLSRUSA-N 2 2 363.461 4.227 20 0 FIADLP COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000057620970 1121376407 /nfs/dbraw/zinc/37/64/07/1121376407.db2.gz PCZZJSQFXIOAES-OAQYLSRUSA-N 2 2 363.461 4.227 20 0 FIADLP C[C@@H](CSC(C)(C)C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000153935783 1121465404 /nfs/dbraw/zinc/46/54/04/1121465404.db2.gz BTYITYLXELGJKA-ROUUACIJSA-N 2 2 364.599 4.396 20 0 FIADLP Cn1ccc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000124963590 1121735622 /nfs/dbraw/zinc/73/56/22/1121735622.db2.gz DUWIYNSHGWRDKQ-UHFFFAOYSA-N 2 2 356.473 4.227 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000765791465 1121995906 /nfs/dbraw/zinc/99/59/06/1121995906.db2.gz KGITUSRIGFZFKI-XKGZKEIXSA-N 2 2 370.468 4.132 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000765791465 1121995908 /nfs/dbraw/zinc/99/59/08/1121995908.db2.gz KGITUSRIGFZFKI-XKGZKEIXSA-N 2 2 370.468 4.132 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000128250428 1122210065 /nfs/dbraw/zinc/21/00/65/1122210065.db2.gz LLAVCEBQBPFOHJ-OAHLLOKOSA-N 2 2 367.884 4.059 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000128250428 1122210074 /nfs/dbraw/zinc/21/00/74/1122210074.db2.gz LLAVCEBQBPFOHJ-OAHLLOKOSA-N 2 2 367.884 4.059 20 0 FIADLP CC(C)n1ccn(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1=S ZINC000917445107 1122316109 /nfs/dbraw/zinc/31/61/09/1122316109.db2.gz RFEBPDIFOSUIRF-UHFFFAOYSA-N 2 2 350.576 4.145 20 0 FIADLP CC(C)COc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000130833834 1122935904 /nfs/dbraw/zinc/93/59/04/1122935904.db2.gz XPBSERAWCPHMCX-UGKGYDQZSA-N 2 2 367.537 4.117 20 0 FIADLP CC(C)COc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000130833834 1122935906 /nfs/dbraw/zinc/93/59/06/1122935906.db2.gz XPBSERAWCPHMCX-UGKGYDQZSA-N 2 2 367.537 4.117 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C1 ZINC000131379663 1123055537 /nfs/dbraw/zinc/05/55/37/1123055537.db2.gz QUOWYEVHZMMXQT-QFIPXVFZSA-N 2 2 368.569 4.020 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C1 ZINC000131379663 1123055548 /nfs/dbraw/zinc/05/55/48/1123055548.db2.gz QUOWYEVHZMMXQT-QFIPXVFZSA-N 2 2 368.569 4.020 20 0 FIADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000499052996 1123175104 /nfs/dbraw/zinc/17/51/04/1123175104.db2.gz HESKVPVPPJHPEP-HNNXBMFYSA-N 2 2 354.281 4.042 20 0 FIADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000499052996 1123175106 /nfs/dbraw/zinc/17/51/06/1123175106.db2.gz HESKVPVPPJHPEP-HNNXBMFYSA-N 2 2 354.281 4.042 20 0 FIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1OC(F)F ZINC000132172372 1123225789 /nfs/dbraw/zinc/22/57/89/1123225789.db2.gz KTSGZKNCPPQFMO-MRXNPFEDSA-N 2 2 371.431 4.426 20 0 FIADLP CCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000073649776 1123237511 /nfs/dbraw/zinc/23/75/11/1123237511.db2.gz OLYQIVADLFUYMX-UHFFFAOYSA-N 2 2 373.928 4.278 20 0 FIADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)o1 ZINC000133140243 1123433534 /nfs/dbraw/zinc/43/35/34/1123433534.db2.gz JTTRMGPKFFUIPA-UHFFFAOYSA-N 2 2 370.493 4.086 20 0 FIADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134899602 1123690296 /nfs/dbraw/zinc/69/02/96/1123690296.db2.gz CFLDSDVVSVFRJJ-NJNPRVFISA-N 2 2 369.553 4.086 20 0 FIADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134899602 1123690300 /nfs/dbraw/zinc/69/03/00/1123690300.db2.gz CFLDSDVVSVFRJJ-NJNPRVFISA-N 2 2 369.553 4.086 20 0 FIADLP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134899602 1123690303 /nfs/dbraw/zinc/69/03/03/1123690303.db2.gz CFLDSDVVSVFRJJ-NJNPRVFISA-N 2 2 369.553 4.086 20 0 FIADLP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134899602 1123690307 /nfs/dbraw/zinc/69/03/07/1123690307.db2.gz CFLDSDVVSVFRJJ-NJNPRVFISA-N 2 2 369.553 4.086 20 0 FIADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000135166116 1123723224 /nfs/dbraw/zinc/72/32/24/1123723224.db2.gz HZDOSQKSWPRXCO-UHFFFAOYSA-N 2 2 359.739 4.457 20 0 FIADLP CC(C)(C)OC(=O)c1ccccc1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000615238014 1123958623 /nfs/dbraw/zinc/95/86/23/1123958623.db2.gz CPJIGIONBLBQPX-UHFFFAOYSA-N 2 2 369.509 4.108 20 0 FIADLP CC(C)c1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000080969122 1123979102 /nfs/dbraw/zinc/97/91/02/1123979102.db2.gz YGPIWSSXXCCQCP-UHFFFAOYSA-N 2 2 351.538 4.344 20 0 FIADLP CC(C)c1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000080969122 1123979104 /nfs/dbraw/zinc/97/91/04/1123979104.db2.gz YGPIWSSXXCCQCP-UHFFFAOYSA-N 2 2 351.538 4.344 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000245615443 1124142052 /nfs/dbraw/zinc/14/20/52/1124142052.db2.gz VABIVZDFGSKUJG-DYESRHJHSA-N 2 2 369.940 4.267 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000245615443 1124142057 /nfs/dbraw/zinc/14/20/57/1124142057.db2.gz VABIVZDFGSKUJG-DYESRHJHSA-N 2 2 369.940 4.267 20 0 FIADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C3)cc1 ZINC000245744328 1124233798 /nfs/dbraw/zinc/23/37/98/1124233798.db2.gz SFFQCQOYPDZIFA-KOUNCHBCSA-N 3 2 364.537 4.059 20 0 FIADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C3)cc1 ZINC000245744328 1124233807 /nfs/dbraw/zinc/23/38/07/1124233807.db2.gz SFFQCQOYPDZIFA-KOUNCHBCSA-N 3 2 364.537 4.059 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000246516950 1124520610 /nfs/dbraw/zinc/52/06/10/1124520610.db2.gz UKFRRUZGNZTQOW-SIKLNZKXSA-N 2 2 351.538 4.151 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000246516950 1124520619 /nfs/dbraw/zinc/52/06/19/1124520619.db2.gz UKFRRUZGNZTQOW-SIKLNZKXSA-N 2 2 351.538 4.151 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000246597065 1124538743 /nfs/dbraw/zinc/53/87/43/1124538743.db2.gz ZWHXNBRCHINRMI-NZQKXSOJSA-N 2 2 363.549 4.295 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000246597065 1124538752 /nfs/dbraw/zinc/53/87/52/1124538752.db2.gz ZWHXNBRCHINRMI-NZQKXSOJSA-N 2 2 363.549 4.295 20 0 FIADLP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246997620 1124580036 /nfs/dbraw/zinc/58/00/36/1124580036.db2.gz LIUZEDVRFUEGIS-KNQAVFIVSA-N 2 2 351.538 4.168 20 0 FIADLP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246997620 1124580038 /nfs/dbraw/zinc/58/00/38/1124580038.db2.gz LIUZEDVRFUEGIS-KNQAVFIVSA-N 2 2 351.538 4.168 20 0 FIADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Sc1ccccc1 ZINC000247205840 1124598832 /nfs/dbraw/zinc/59/88/32/1124598832.db2.gz VIJDZTWRQAYBTG-DBXWQHBBSA-N 2 2 355.551 4.062 20 0 FIADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Sc1ccccc1 ZINC000247205840 1124598837 /nfs/dbraw/zinc/59/88/37/1124598837.db2.gz VIJDZTWRQAYBTG-DBXWQHBBSA-N 2 2 355.551 4.062 20 0 FIADLP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247219685 1124600619 /nfs/dbraw/zinc/60/06/19/1124600619.db2.gz XPBSERAWCPHMCX-DENIHFKCSA-N 2 2 367.537 4.117 20 0 FIADLP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247219685 1124600622 /nfs/dbraw/zinc/60/06/22/1124600622.db2.gz XPBSERAWCPHMCX-DENIHFKCSA-N 2 2 367.537 4.117 20 0 FIADLP Clc1ccc2c(ccn2CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000564387819 1124709919 /nfs/dbraw/zinc/70/99/19/1124709919.db2.gz QGCBOVZYGGCQJA-UHFFFAOYSA-N 2 2 354.885 4.266 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000247580717 1124716282 /nfs/dbraw/zinc/71/62/82/1124716282.db2.gz YKCQSKNEOBGOCU-XMSQKQJNSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000247580717 1124716290 /nfs/dbraw/zinc/71/62/90/1124716290.db2.gz YKCQSKNEOBGOCU-XMSQKQJNSA-N 2 2 361.489 4.342 20 0 FIADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000247933374 1124731257 /nfs/dbraw/zinc/73/12/57/1124731257.db2.gz CGEPWAXIAQOJDF-PXNSSMCTSA-N 2 2 371.550 4.125 20 0 FIADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000247933374 1124731264 /nfs/dbraw/zinc/73/12/64/1124731264.db2.gz CGEPWAXIAQOJDF-PXNSSMCTSA-N 2 2 371.550 4.125 20 0 FIADLP CCOc1ccc(-c2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cs2)cc1 ZINC000247933374 1124731269 /nfs/dbraw/zinc/73/12/69/1124731269.db2.gz CGEPWAXIAQOJDF-PXNSSMCTSA-N 2 2 371.550 4.125 20 0 FIADLP CCOc1ccc(-c2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cs2)cc1 ZINC000247933374 1124731274 /nfs/dbraw/zinc/73/12/74/1124731274.db2.gz CGEPWAXIAQOJDF-PXNSSMCTSA-N 2 2 371.550 4.125 20 0 FIADLP COc1ccc([C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C(C)C)cc1 ZINC000091283291 1125060743 /nfs/dbraw/zinc/06/07/43/1125060743.db2.gz HSEIBXVDQMSORM-HSZRJFAPSA-N 2 2 363.505 4.469 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1nc2ccccc2n1C ZINC000091368160 1125068576 /nfs/dbraw/zinc/06/85/76/1125068576.db2.gz TUBGUUULHLXZGT-HBFSDRIKSA-N 2 2 362.521 4.277 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1nc2ccccc2n1C ZINC000091368160 1125068585 /nfs/dbraw/zinc/06/85/85/1125068585.db2.gz TUBGUUULHLXZGT-HBFSDRIKSA-N 2 2 362.521 4.277 20 0 FIADLP COC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccc(F)c(F)c1 ZINC000091413333 1125071612 /nfs/dbraw/zinc/07/16/12/1125071612.db2.gz UAUCLADPHJANCA-SPLOXXLWSA-N 2 2 371.431 4.497 20 0 FIADLP c1ccc(COc2cccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)c2)cc1 ZINC000067693018 568080777 /nfs/dbraw/zinc/08/07/77/568080777.db2.gz BTUWYZCBDMFVTO-UHFFFAOYSA-N 2 2 373.500 4.419 20 0 FIADLP Clc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000603710009 568137638 /nfs/dbraw/zinc/13/76/38/568137638.db2.gz LXEUKKAUBJYXKP-AWEZNQCLSA-N 2 2 354.679 4.136 20 0 FIADLP Clc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000603710009 568137639 /nfs/dbraw/zinc/13/76/39/568137639.db2.gz LXEUKKAUBJYXKP-AWEZNQCLSA-N 2 2 354.679 4.136 20 0 FIADLP Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc1Oc1cc[nH+]cc1 ZINC000604311529 568248416 /nfs/dbraw/zinc/24/84/16/568248416.db2.gz UKFBYNSZVNURCI-UHFFFAOYSA-N 2 2 361.445 4.496 20 0 FIADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(F)c1 ZINC000390844653 568322951 /nfs/dbraw/zinc/32/29/51/568322951.db2.gz DVOKCHBGGQOHJC-FGZHOGPDSA-N 2 2 356.485 4.158 20 0 FIADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(F)c1 ZINC000390844653 568322952 /nfs/dbraw/zinc/32/29/52/568322952.db2.gz DVOKCHBGGQOHJC-FGZHOGPDSA-N 2 2 356.485 4.158 20 0 FIADLP Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1Oc1cc[nH+]cc1 ZINC000604600954 568323348 /nfs/dbraw/zinc/32/33/48/568323348.db2.gz VKSPOBYWAORKRM-UHFFFAOYSA-N 2 2 367.493 4.221 20 0 FIADLP c1csc(C[N@@H+](Cc2cc3ccccc3o2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261663351 571015864 /nfs/dbraw/zinc/01/58/64/571015864.db2.gz GDQGMAAVFNGEQX-GOSISDBHSA-N 2 2 353.491 4.034 20 0 FIADLP c1csc(C[N@H+](Cc2cc3ccccc3o2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261663351 571015865 /nfs/dbraw/zinc/01/58/65/571015865.db2.gz GDQGMAAVFNGEQX-GOSISDBHSA-N 2 2 353.491 4.034 20 0 FIADLP CCC[N@H+](Cc1cc(F)c(Br)cc1Cl)C1CC[NH2+]CC1 ZINC001236182423 1122941080 /nfs/dbraw/zinc/94/10/80/1122941080.db2.gz OERUTTKUCXYRSP-UHFFFAOYSA-N 2 2 363.702 4.206 20 0 FIADLP CCC[N@@H+](Cc1cc(F)c(Br)cc1Cl)C1CC[NH2+]CC1 ZINC001236182423 1122941081 /nfs/dbraw/zinc/94/10/81/1122941081.db2.gz OERUTTKUCXYRSP-UHFFFAOYSA-N 2 2 363.702 4.206 20 0 FIADLP c1csc(-c2cc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)no2)c1 ZINC000543060301 1125578587 /nfs/dbraw/zinc/57/85/87/1125578587.db2.gz ATZNVFQHIADSPM-UHFFFAOYSA-N 2 2 356.495 4.292 20 0 FIADLP CCCCOc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1OC ZINC000152815789 1125659333 /nfs/dbraw/zinc/65/93/33/1125659333.db2.gz UGTGYJMJPFDEAH-KRWDZBQOSA-N 2 2 371.525 4.300 20 0 FIADLP Cc1cc([NH+](C)C)ccc1NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000092129452 1079639646 /nfs/dbraw/zinc/63/96/46/1079639646.db2.gz AIERURKQJRKUSZ-UHFFFAOYSA-N 2 2 366.553 4.204 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1C[NH+]1CCCCC1 ZINC000183165829 1125767773 /nfs/dbraw/zinc/76/77/73/1125767773.db2.gz NSUPYOJCSWHGFB-LJQANCHMSA-N 3 2 373.585 4.205 20 0 FIADLP c1cn(Cc2cccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)c2)c[nH+]1 ZINC000180082243 1080436947 /nfs/dbraw/zinc/43/69/47/1080436947.db2.gz RLOQZUFIWLGCCY-QHCPKHFHSA-N 2 2 354.457 4.206 20 0 FIADLP CCC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC1CCCCC1 ZINC001167145548 1080718707 /nfs/dbraw/zinc/71/87/07/1080718707.db2.gz GOZLMVBXSBQNLX-UHFFFAOYSA-N 2 2 357.586 4.491 20 0 FIADLP CCC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC1CCCCC1 ZINC001167145548 1080718713 /nfs/dbraw/zinc/71/87/13/1080718713.db2.gz GOZLMVBXSBQNLX-UHFFFAOYSA-N 2 2 357.586 4.491 20 0 FIADLP Cc1csc([C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C2CC2)n1 ZINC000120199896 1080904634 /nfs/dbraw/zinc/90/46/34/1080904634.db2.gz OTQLTKJMXQWEQW-HXUWFJFHSA-N 2 2 373.541 4.338 20 0 FIADLP CCc1nc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC001648808310 1081111496 /nfs/dbraw/zinc/11/14/96/1081111496.db2.gz JVKMTBBFIISCQS-IAGOWNOFSA-N 2 2 357.567 4.473 20 0 FIADLP Cc1nc(-c2ccc([C@@H](C)[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)cs1 ZINC000655698787 1081124148 /nfs/dbraw/zinc/12/41/48/1081124148.db2.gz VVODVZYOYUFFKK-QRWLVFNGSA-N 2 2 371.550 4.022 20 0 FIADLP Clc1cccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000655703851 1081125331 /nfs/dbraw/zinc/12/53/31/1081125331.db2.gz WOTKILZHUVGMTI-VXKWHMMOSA-N 2 2 370.924 4.272 20 0 FIADLP CC(C)CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655705050 1081126291 /nfs/dbraw/zinc/12/62/91/1081126291.db2.gz UXEJCMAPHOZBPJ-GHTZIAJQSA-N 2 2 360.542 4.015 20 0 FIADLP Cc1ccc(Oc2ccccc2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655711204 1081129196 /nfs/dbraw/zinc/12/91/96/1081129196.db2.gz GKJFRJYYLLKDER-NRFANRHFSA-N 2 2 366.505 4.130 20 0 FIADLP CCCOc1ccccc1[C@@H](CC(C)C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655719427 1081138239 /nfs/dbraw/zinc/13/82/39/1081138239.db2.gz UAZSFDGCGAHMNV-IFMALSPDSA-N 2 2 374.569 4.406 20 0 FIADLP CC1(C)CC[C@@H]2C[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c3cccc1c32 ZINC000655737895 1081156562 /nfs/dbraw/zinc/15/65/62/1081156562.db2.gz GWMBGKLAAWDXAG-MMOPVJDHSA-N 2 2 354.538 4.129 20 0 FIADLP Cc1ccccc1C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1C ZINC000655755125 1081176197 /nfs/dbraw/zinc/17/61/97/1081176197.db2.gz PZTXDQRWULIUKS-OAQYLSRUSA-N 2 2 364.533 4.236 20 0 FIADLP C[C@]1(C[NH2+]Cc2cnc(-c3ccccc3)nc2)CCC[N@@H+]1Cc1ccccc1 ZINC000547969928 1081271672 /nfs/dbraw/zinc/27/16/72/1081271672.db2.gz NHQSSQPNJUDKLR-XMMPIXPASA-N 2 2 372.516 4.288 20 0 FIADLP C[C@]1(C[NH2+]Cc2cnc(-c3ccccc3)nc2)CCC[N@H+]1Cc1ccccc1 ZINC000547969928 1081271674 /nfs/dbraw/zinc/27/16/74/1081271674.db2.gz NHQSSQPNJUDKLR-XMMPIXPASA-N 2 2 372.516 4.288 20 0 FIADLP Cc1cc(Br)c(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1Cl ZINC001648832868 1081272424 /nfs/dbraw/zinc/27/24/24/1081272424.db2.gz PVNMPMWRNBRINZ-GFCCVEGCSA-N 2 2 359.739 4.232 20 0 FIADLP C[C@@H](CCNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1 ZINC000683707034 1081415641 /nfs/dbraw/zinc/41/56/41/1081415641.db2.gz GQYABMZNOJZTDU-SFHVURJKSA-N 2 2 352.526 4.218 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2OC2CCCC2)C[C@H]1c1ccccc1 ZINC000580055515 1081559409 /nfs/dbraw/zinc/55/94/09/1081559409.db2.gz VPPNREWNSVKHHK-UNMCSNQZSA-N 2 2 365.521 4.328 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2OC2CCCC2)C[C@H]1c1ccccc1 ZINC000580055515 1081559411 /nfs/dbraw/zinc/55/94/11/1081559411.db2.gz VPPNREWNSVKHHK-UNMCSNQZSA-N 2 2 365.521 4.328 20 0 FIADLP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001167397222 1081938531 /nfs/dbraw/zinc/93/85/31/1081938531.db2.gz FCXHDQSVVDVCPU-GGAORHGYSA-N 2 2 363.549 4.077 20 0 FIADLP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001167397222 1081938533 /nfs/dbraw/zinc/93/85/33/1081938533.db2.gz FCXHDQSVVDVCPU-GGAORHGYSA-N 2 2 363.549 4.077 20 0 FIADLP Oc1ccc(F)c(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)c1F ZINC000510327377 1081946349 /nfs/dbraw/zinc/94/63/49/1081946349.db2.gz OBBMVPYRAIXROC-UHFFFAOYSA-N 2 2 360.448 4.336 20 0 FIADLP Brc1c2ccccc2oc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000656251673 1082016385 /nfs/dbraw/zinc/01/63/85/1082016385.db2.gz MGRIPVLCXDBRBQ-CYBMUJFWSA-N 2 2 360.255 4.229 20 0 FIADLP Brc1c2ccccc2oc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000656251673 1082016389 /nfs/dbraw/zinc/01/63/89/1082016389.db2.gz MGRIPVLCXDBRBQ-CYBMUJFWSA-N 2 2 360.255 4.229 20 0 FIADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000580606133 1082041536 /nfs/dbraw/zinc/04/15/36/1082041536.db2.gz RBTFRYLNKSQGFR-JOCHJYFZSA-N 2 2 351.469 4.427 20 0 FIADLP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](Cc3nc4ccccc4o3)C2)cc1 ZINC000656402052 1082332142 /nfs/dbraw/zinc/33/21/42/1082332142.db2.gz CVJQQOOFSREAGA-XWUOBKMESA-N 2 2 373.500 4.170 20 0 FIADLP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](Cc3nc4ccccc4o3)C2)cc1 ZINC000656402052 1082332150 /nfs/dbraw/zinc/33/21/50/1082332150.db2.gz CVJQQOOFSREAGA-XWUOBKMESA-N 2 2 373.500 4.170 20 0 FIADLP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](Cc3nc4ccccc4o3)C2)cc1 ZINC000656402052 1082332155 /nfs/dbraw/zinc/33/21/55/1082332155.db2.gz CVJQQOOFSREAGA-XWUOBKMESA-N 2 2 373.500 4.170 20 0 FIADLP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](Cc3nc4ccccc4o3)C2)cc1 ZINC000656402052 1082332163 /nfs/dbraw/zinc/33/21/63/1082332163.db2.gz CVJQQOOFSREAGA-XWUOBKMESA-N 2 2 373.500 4.170 20 0 FIADLP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000647167611 1082704517 /nfs/dbraw/zinc/70/45/17/1082704517.db2.gz MFKWNLMDOZINFY-WOJBJXKFSA-N 2 2 369.578 4.138 20 0 FIADLP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000647167611 1082704526 /nfs/dbraw/zinc/70/45/26/1082704526.db2.gz MFKWNLMDOZINFY-WOJBJXKFSA-N 2 2 369.578 4.138 20 0 FIADLP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000647167611 1082704532 /nfs/dbraw/zinc/70/45/32/1082704532.db2.gz MFKWNLMDOZINFY-WOJBJXKFSA-N 2 2 369.578 4.138 20 0 FIADLP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000647167611 1082704538 /nfs/dbraw/zinc/70/45/38/1082704538.db2.gz MFKWNLMDOZINFY-WOJBJXKFSA-N 2 2 369.578 4.138 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3cccc4cnccc43)C2)CC1 ZINC000684412766 1082861592 /nfs/dbraw/zinc/86/15/92/1082861592.db2.gz WNXBDKSMKMUTCV-UHFFFAOYSA-N 2 2 363.427 4.130 20 0 FIADLP Clc1ccc(-c2cc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)on2)cc1 ZINC000156395642 1082917612 /nfs/dbraw/zinc/91/76/12/1082917612.db2.gz KSTCVRWKAPZBOA-QGZVFWFLSA-N 2 2 355.825 4.043 20 0 FIADLP Clc1ccc(-c2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)on2)cc1 ZINC000156395642 1082917619 /nfs/dbraw/zinc/91/76/19/1082917619.db2.gz KSTCVRWKAPZBOA-QGZVFWFLSA-N 2 2 355.825 4.043 20 0 FIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1CCCNc2ccccc21)c1ccccc1 ZINC000581851407 1082928411 /nfs/dbraw/zinc/92/84/11/1082928411.db2.gz LAPNNAPVMBULPC-GGAORHGYSA-N 2 2 367.537 4.233 20 0 FIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1CCCNc2ccccc21)c1ccccc1 ZINC000581851407 1082928415 /nfs/dbraw/zinc/92/84/15/1082928415.db2.gz LAPNNAPVMBULPC-GGAORHGYSA-N 2 2 367.537 4.233 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000581877080 1082948582 /nfs/dbraw/zinc/94/85/82/1082948582.db2.gz LVVSWKVTLOATOQ-XYPHTWIQSA-N 2 2 361.942 4.284 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000581877080 1082948584 /nfs/dbraw/zinc/94/85/84/1082948584.db2.gz LVVSWKVTLOATOQ-XYPHTWIQSA-N 2 2 361.942 4.284 20 0 FIADLP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000658294841 1083397101 /nfs/dbraw/zinc/39/71/01/1083397101.db2.gz JWRYMVQIQDISMR-DNVFCKCGSA-N 2 2 358.570 4.220 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000548487955 1083489800 /nfs/dbraw/zinc/48/98/00/1083489800.db2.gz GDCARKXTJHSJJE-WIYYLYMNSA-N 2 2 367.537 4.259 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000548487955 1083489810 /nfs/dbraw/zinc/48/98/10/1083489810.db2.gz GDCARKXTJHSJJE-WIYYLYMNSA-N 2 2 367.537 4.259 20 0 FIADLP Cc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000510935412 1083510374 /nfs/dbraw/zinc/51/03/74/1083510374.db2.gz MQRCALKNRXETLO-UHFFFAOYSA-N 2 2 374.282 4.249 20 0 FIADLP Cc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000510935412 1083510385 /nfs/dbraw/zinc/51/03/85/1083510385.db2.gz MQRCALKNRXETLO-UHFFFAOYSA-N 2 2 374.282 4.249 20 0 FIADLP Cc1cccc([C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2cccc(F)c2)c1 ZINC000510964612 1083545083 /nfs/dbraw/zinc/54/50/83/1083545083.db2.gz XYWUKAHBRJBPKN-AUSIDOKSSA-N 2 2 370.512 4.314 20 0 FIADLP Cc1cccc([C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2cccc(F)c2)c1 ZINC000510964612 1083545093 /nfs/dbraw/zinc/54/50/93/1083545093.db2.gz XYWUKAHBRJBPKN-AUSIDOKSSA-N 2 2 370.512 4.314 20 0 FIADLP Cc1cccc([C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2cccc(F)c2)c1 ZINC000510964641 1083546135 /nfs/dbraw/zinc/54/61/35/1083546135.db2.gz XYWUKAHBRJBPKN-XXBNENTESA-N 2 2 370.512 4.314 20 0 FIADLP Cc1cccc([C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2cccc(F)c2)c1 ZINC000510964641 1083546142 /nfs/dbraw/zinc/54/61/42/1083546142.db2.gz XYWUKAHBRJBPKN-XXBNENTESA-N 2 2 370.512 4.314 20 0 FIADLP C[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2cccc(Br)c2)CC1 ZINC000414057159 1084380287 /nfs/dbraw/zinc/38/02/87/1084380287.db2.gz FJCFTUSLWNVGHC-IBGZPJMESA-N 2 2 359.311 4.222 20 0 FIADLP c1cn(-c2cccc(C[NH2+][C@@H]3CCCOc4cc5c(cc43)CCC5)c2)c[nH+]1 ZINC000431330507 1084403791 /nfs/dbraw/zinc/40/37/91/1084403791.db2.gz BVCJPVIWVBQBJV-JOCHJYFZSA-N 2 2 359.473 4.365 20 0 FIADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nc2c(s1)CCC2 ZINC000414154863 1084710859 /nfs/dbraw/zinc/71/08/59/1084710859.db2.gz LUXGGIQCQSVKGK-DSLXNQLJSA-N 2 2 367.562 4.478 20 0 FIADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nc2c(s1)CCC2 ZINC000414154863 1084710865 /nfs/dbraw/zinc/71/08/65/1084710865.db2.gz LUXGGIQCQSVKGK-DSLXNQLJSA-N 2 2 367.562 4.478 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2c3ccc(F)cc3O[C@@H]2C)cc1 ZINC000582505179 1085079363 /nfs/dbraw/zinc/07/93/63/1085079363.db2.gz SWDCNLLTQHGZJN-QTCYRWPVSA-N 2 2 351.425 4.493 20 0 FIADLP Cc1cccc2[nH]c(C[NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)cc21 ZINC000657452778 1085105094 /nfs/dbraw/zinc/10/50/94/1085105094.db2.gz JQPPGGJQPHCXHG-UHFFFAOYSA-N 2 2 365.443 4.371 20 0 FIADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3nc(C(C)C)n4ccccc34)C2)c1 ZINC000651629461 1085259956 /nfs/dbraw/zinc/25/99/56/1085259956.db2.gz XAXJBLXKAUTUBY-GOSISDBHSA-N 2 2 363.509 4.095 20 0 FIADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3nc(C(C)C)n4ccccc34)C2)c1 ZINC000651629461 1085259970 /nfs/dbraw/zinc/25/99/70/1085259970.db2.gz XAXJBLXKAUTUBY-GOSISDBHSA-N 2 2 363.509 4.095 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)cn1 ZINC000048782432 1085479978 /nfs/dbraw/zinc/47/99/78/1085479978.db2.gz PUCGADGSDYIWLI-UHFFFAOYSA-N 2 2 362.408 4.265 20 0 FIADLP FC(F)(F)[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)OC1CCCC1 ZINC000657587028 1085648136 /nfs/dbraw/zinc/64/81/36/1085648136.db2.gz OWRGHIOLSJDTCK-LJQANCHMSA-N 2 2 370.459 4.131 20 0 FIADLP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1NCc1cc[nH+]c(N)c1 ZINC001167619214 1085733181 /nfs/dbraw/zinc/73/31/81/1085733181.db2.gz VZZASTXTYYCKBD-UHFFFAOYSA-N 2 2 352.404 4.137 20 0 FIADLP CCn1nc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c2ccccc21 ZINC000473141014 1085784112 /nfs/dbraw/zinc/78/41/12/1085784112.db2.gz NJOWDUDHIUYWLQ-HXUWFJFHSA-N 2 2 362.521 4.010 20 0 FIADLP CCn1nc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c2ccccc21 ZINC000473141014 1085784119 /nfs/dbraw/zinc/78/41/19/1085784119.db2.gz NJOWDUDHIUYWLQ-HXUWFJFHSA-N 2 2 362.521 4.010 20 0 FIADLP CCn1nc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000473141014 1085784129 /nfs/dbraw/zinc/78/41/29/1085784129.db2.gz NJOWDUDHIUYWLQ-HXUWFJFHSA-N 2 2 362.521 4.010 20 0 FIADLP CCn1nc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000473141014 1085784137 /nfs/dbraw/zinc/78/41/37/1085784137.db2.gz NJOWDUDHIUYWLQ-HXUWFJFHSA-N 2 2 362.521 4.010 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Cl)c1F ZINC000161699707 1085916151 /nfs/dbraw/zinc/91/61/51/1085916151.db2.gz WGDCMARTVQIJLP-RDTXWAMCSA-N 2 2 354.897 4.021 20 0 FIADLP COCc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1OC ZINC000153666683 1086027171 /nfs/dbraw/zinc/02/71/71/1086027171.db2.gz MHCSTYGWHAPFKZ-OAHLLOKOSA-N 2 2 369.440 4.017 20 0 FIADLP CC(C)[C@@H](O)[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000657745655 1086465569 /nfs/dbraw/zinc/46/55/69/1086465569.db2.gz JOYMRONJULOLSS-BJKOFHAPSA-N 2 2 366.549 4.041 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cc2n(n1)CCCC2 ZINC000647283087 1086503331 /nfs/dbraw/zinc/50/33/31/1086503331.db2.gz JRRJRNQKEZVHJG-RTBURBONSA-N 2 2 366.553 4.302 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cc2n(n1)CCCC2 ZINC000647283087 1086503336 /nfs/dbraw/zinc/50/33/36/1086503336.db2.gz JRRJRNQKEZVHJG-RTBURBONSA-N 2 2 366.553 4.302 20 0 FIADLP Fc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c2cccnc2)cc1 ZINC000663465498 1086564671 /nfs/dbraw/zinc/56/46/71/1086564671.db2.gz KFLKCHVGOGTMHG-XMSQKQJNSA-N 2 2 353.485 4.022 20 0 FIADLP Fc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c2cccnc2)cc1 ZINC000663465498 1086564678 /nfs/dbraw/zinc/56/46/78/1086564678.db2.gz KFLKCHVGOGTMHG-XMSQKQJNSA-N 2 2 353.485 4.022 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)cn1 ZINC000126299787 1086605144 /nfs/dbraw/zinc/60/51/44/1086605144.db2.gz IMCYCOIWOUDHMK-KRWDZBQOSA-N 2 2 354.454 4.042 20 0 FIADLP Fc1ccc(/C=C\C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1F ZINC000512108206 1086777209 /nfs/dbraw/zinc/77/72/09/1086777209.db2.gz SRGLZNQJJJZFGP-DAXSKMNVSA-N 2 2 353.416 4.055 20 0 FIADLP Fc1ccccc1-c1csc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000279081326 1086790520 /nfs/dbraw/zinc/79/05/20/1086790520.db2.gz SRGGJHQSVJKZKU-UHFFFAOYSA-N 2 2 368.481 4.103 20 0 FIADLP C[N@@H+]1CCC[C@H](CNc2[nH+]ccc3c(N)cccc32)[C@@H]1c1cccs1 ZINC000663659806 1086790806 /nfs/dbraw/zinc/79/08/06/1086790806.db2.gz HSSHPZJWCPMFJW-AUUYWEPGSA-N 2 2 352.507 4.374 20 0 FIADLP C[N@H+]1CCC[C@H](CNc2[nH+]ccc3c(N)cccc32)[C@@H]1c1cccs1 ZINC000663659806 1086790810 /nfs/dbraw/zinc/79/08/10/1086790810.db2.gz HSSHPZJWCPMFJW-AUUYWEPGSA-N 2 2 352.507 4.374 20 0 FIADLP CCc1nc2c(s1)[C@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CCC2 ZINC000151334361 1087089744 /nfs/dbraw/zinc/08/97/44/1087089744.db2.gz FNLHWOIQGDNLTD-QGZVFWFLSA-N 2 2 352.507 4.118 20 0 FIADLP c1ccc(N2CCC([NH2+]CCCO[C@@H]3CCCc4ccccc43)CC2)[nH+]c1 ZINC000089721751 1087391898 /nfs/dbraw/zinc/39/18/98/1087391898.db2.gz RUOJZUUDHBVNGB-JOCHJYFZSA-N 2 2 365.521 4.124 20 0 FIADLP CCOc1ccccc1[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000090667031 1087413560 /nfs/dbraw/zinc/41/35/60/1087413560.db2.gz QVLBBGYXEFCHNQ-QZTJIDSGSA-N 2 2 353.510 4.357 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1nc2ccccc2n1C ZINC000091367671 1087428710 /nfs/dbraw/zinc/42/87/10/1087428710.db2.gz UATSDWFETRWXHR-BJLQDIEVSA-N 2 2 362.521 4.135 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1nc2ccccc2n1C ZINC000091367671 1087428714 /nfs/dbraw/zinc/42/87/14/1087428714.db2.gz UATSDWFETRWXHR-BJLQDIEVSA-N 2 2 362.521 4.135 20 0 FIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685462471 1087575494 /nfs/dbraw/zinc/57/54/94/1087575494.db2.gz FKSNGZPPRUPZPA-UHFFFAOYSA-N 2 2 353.441 4.123 20 0 FIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685462471 1087575497 /nfs/dbraw/zinc/57/54/97/1087575497.db2.gz FKSNGZPPRUPZPA-UHFFFAOYSA-N 2 2 353.441 4.123 20 0 FIADLP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000658018840 1087699606 /nfs/dbraw/zinc/69/96/06/1087699606.db2.gz GNJAAPSUIYUIQC-ZYHUDNBSSA-N 2 2 357.807 4.160 20 0 FIADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(Cl)ccc2Br)CC1 ZINC000472598437 1087992715 /nfs/dbraw/zinc/99/27/15/1087992715.db2.gz LRNZBSIXZUUYPX-UHFFFAOYSA-N 2 2 357.723 4.163 20 0 FIADLP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(Cl)ccc2Br)CC1 ZINC000472598437 1087992720 /nfs/dbraw/zinc/99/27/20/1087992720.db2.gz LRNZBSIXZUUYPX-UHFFFAOYSA-N 2 2 357.723 4.163 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCc3c1cccc3Br)CCC2 ZINC000513865068 1088458783 /nfs/dbraw/zinc/45/87/83/1088458783.db2.gz BEUBRSFPMSWDSV-DYVFJYSZSA-N 2 2 360.299 4.109 20 0 FIADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000434635210 1088882777 /nfs/dbraw/zinc/88/27/77/1088882777.db2.gz FQABRJXDYSZIKM-QFIPXVFZSA-N 2 2 372.516 4.098 20 0 FIADLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000434635210 1088882795 /nfs/dbraw/zinc/88/27/95/1088882795.db2.gz FQABRJXDYSZIKM-QFIPXVFZSA-N 2 2 372.516 4.098 20 0 FIADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000434635210 1088882816 /nfs/dbraw/zinc/88/28/16/1088882816.db2.gz FQABRJXDYSZIKM-QFIPXVFZSA-N 2 2 372.516 4.098 20 0 FIADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000434635210 1088882838 /nfs/dbraw/zinc/88/28/38/1088882838.db2.gz FQABRJXDYSZIKM-QFIPXVFZSA-N 2 2 372.516 4.098 20 0 FIADLP c1cc(-c2nc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cs2)co1 ZINC000434670192 1088936826 /nfs/dbraw/zinc/93/68/26/1088936826.db2.gz AIGAALQYQAHOFM-UHFFFAOYSA-N 2 2 368.506 4.316 20 0 FIADLP C[C@H]([NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@H]1CCC[NH2+]C1 ZINC000414855400 1089053803 /nfs/dbraw/zinc/05/38/03/1089053803.db2.gz NCUFHNQTMJLILI-JSGCOSHPSA-N 2 2 369.456 4.307 20 0 FIADLP c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378911888 1089056905 /nfs/dbraw/zinc/05/69/05/1089056905.db2.gz JNJASUCDTCBVDO-GJZGRUSLSA-N 2 2 353.491 4.273 20 0 FIADLP c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378911888 1089056923 /nfs/dbraw/zinc/05/69/23/1089056923.db2.gz JNJASUCDTCBVDO-GJZGRUSLSA-N 2 2 353.491 4.273 20 0 FIADLP C[NH2+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2C)CC1 ZINC000435376986 1089581509 /nfs/dbraw/zinc/58/15/09/1089581509.db2.gz WXYLKKDSGMHESL-UHFFFAOYSA-N 2 2 360.505 4.032 20 0 FIADLP CC(C)c1nc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435426628 1089642410 /nfs/dbraw/zinc/64/24/10/1089642410.db2.gz JCYOEBIEPFPXTL-QGZVFWFLSA-N 2 2 361.580 4.472 20 0 FIADLP CC(C)c1nc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435426628 1089642421 /nfs/dbraw/zinc/64/24/21/1089642421.db2.gz JCYOEBIEPFPXTL-QGZVFWFLSA-N 2 2 361.580 4.472 20 0 FIADLP CSc1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435427126 1089645112 /nfs/dbraw/zinc/64/51/12/1089645112.db2.gz LGUGFSOIGJWRAO-KRWDZBQOSA-N 2 2 359.564 4.009 20 0 FIADLP CSc1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435427126 1089645123 /nfs/dbraw/zinc/64/51/23/1089645123.db2.gz LGUGFSOIGJWRAO-KRWDZBQOSA-N 2 2 359.564 4.009 20 0 FIADLP C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C ZINC000312268565 1090466996 /nfs/dbraw/zinc/46/69/96/1090466996.db2.gz IDNKCCWJQVEJEQ-JPYJTQIMSA-N 2 2 362.521 4.136 20 0 FIADLP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C ZINC000312268565 1090467000 /nfs/dbraw/zinc/46/70/00/1090467000.db2.gz IDNKCCWJQVEJEQ-JPYJTQIMSA-N 2 2 362.521 4.136 20 0 FIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000660121607 1090590331 /nfs/dbraw/zinc/59/03/31/1090590331.db2.gz VJDDKPOPGVLQEF-GOSISDBHSA-N 2 2 370.459 4.169 20 0 FIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000660121607 1090590342 /nfs/dbraw/zinc/59/03/42/1090590342.db2.gz VJDDKPOPGVLQEF-GOSISDBHSA-N 2 2 370.459 4.169 20 0 FIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323167 1090814606 /nfs/dbraw/zinc/81/46/06/1090814606.db2.gz OBOYMICJOOYNOA-NZSAHSFTSA-N 2 2 351.519 4.317 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1c1cccs1 ZINC000417333079 1090823258 /nfs/dbraw/zinc/82/32/58/1090823258.db2.gz PIFYIRAXDAMPRQ-ZIBCJSCZSA-N 2 2 370.562 4.121 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1c1cccs1 ZINC000417333079 1090823273 /nfs/dbraw/zinc/82/32/73/1090823273.db2.gz PIFYIRAXDAMPRQ-ZIBCJSCZSA-N 2 2 370.562 4.121 20 0 FIADLP Cc1cc(C)c(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c(C)[nH+]1 ZINC000584762757 1090858414 /nfs/dbraw/zinc/85/84/14/1090858414.db2.gz HBSRVVGHVNMXHL-KRWDZBQOSA-N 2 2 360.889 4.085 20 0 FIADLP CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000500108837 1091044423 /nfs/dbraw/zinc/04/44/23/1091044423.db2.gz AGYRGWPJJAIWGV-FQEVSTJZSA-N 2 2 360.448 4.451 20 0 FIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000319351120 1091117934 /nfs/dbraw/zinc/11/79/34/1091117934.db2.gz MUBZAYWLCKKPLW-SJORKVTESA-N 2 2 362.315 4.337 20 0 FIADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000390572009 1091272745 /nfs/dbraw/zinc/27/27/45/1091272745.db2.gz OOUGTWAETNJVFX-HKUYNNGSSA-N 2 2 358.551 4.252 20 0 FIADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000390572009 1091272747 /nfs/dbraw/zinc/27/27/47/1091272747.db2.gz OOUGTWAETNJVFX-HKUYNNGSSA-N 2 2 358.551 4.252 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759860361 1091344463 /nfs/dbraw/zinc/34/44/63/1091344463.db2.gz BULPIZVIKFFLMX-QINHECLXSA-N 2 2 368.924 4.099 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759860361 1091344474 /nfs/dbraw/zinc/34/44/74/1091344474.db2.gz BULPIZVIKFFLMX-QINHECLXSA-N 2 2 368.924 4.099 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759860361 1091344485 /nfs/dbraw/zinc/34/44/85/1091344485.db2.gz BULPIZVIKFFLMX-QINHECLXSA-N 2 2 368.924 4.099 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759860361 1091344496 /nfs/dbraw/zinc/34/44/96/1091344496.db2.gz BULPIZVIKFFLMX-QINHECLXSA-N 2 2 368.924 4.099 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cnc(-c4ccncc4)s3)C2)CC1 ZINC000512191885 1091818657 /nfs/dbraw/zinc/81/86/57/1091818657.db2.gz BFALBSAPTKQNKK-SFHVURJKSA-N 2 2 370.566 4.149 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cnc(-c4ccncc4)s3)C2)CC1 ZINC000512191885 1091818662 /nfs/dbraw/zinc/81/86/62/1091818662.db2.gz BFALBSAPTKQNKK-SFHVURJKSA-N 2 2 370.566 4.149 20 0 FIADLP Cc1[nH+]cc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1-c1ccccc1 ZINC000512192208 1091850276 /nfs/dbraw/zinc/85/02/76/1091850276.db2.gz AGTZRPOYXZEGRU-CTNGQTDRSA-N 2 2 366.553 4.267 20 0 FIADLP Cc1[nH+]cc(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1-c1ccccc1 ZINC000512192208 1091850286 /nfs/dbraw/zinc/85/02/86/1091850286.db2.gz AGTZRPOYXZEGRU-CTNGQTDRSA-N 2 2 366.553 4.267 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512236290 1091944573 /nfs/dbraw/zinc/94/45/73/1091944573.db2.gz GJJOHFLJARPCAI-JPYJTQIMSA-N 2 2 361.489 4.487 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512236290 1091944577 /nfs/dbraw/zinc/94/45/77/1091944577.db2.gz GJJOHFLJARPCAI-JPYJTQIMSA-N 2 2 361.489 4.487 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512236290 1091944585 /nfs/dbraw/zinc/94/45/85/1091944585.db2.gz GJJOHFLJARPCAI-JPYJTQIMSA-N 2 2 361.489 4.487 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512236290 1091944586 /nfs/dbraw/zinc/94/45/86/1091944586.db2.gz GJJOHFLJARPCAI-JPYJTQIMSA-N 2 2 361.489 4.487 20 0 FIADLP Cc1nn(C(C)C)cc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000467434791 1092234090 /nfs/dbraw/zinc/23/40/90/1092234090.db2.gz FOOQXPFNLGDBJC-AVRDEDQJSA-N 2 2 354.542 4.257 20 0 FIADLP Cc1nn(C(C)C)cc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000467434791 1092234099 /nfs/dbraw/zinc/23/40/99/1092234099.db2.gz FOOQXPFNLGDBJC-AVRDEDQJSA-N 2 2 354.542 4.257 20 0 FIADLP Cc1nn(C(C)C)cc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000467434791 1092234107 /nfs/dbraw/zinc/23/41/07/1092234107.db2.gz FOOQXPFNLGDBJC-AVRDEDQJSA-N 2 2 354.542 4.257 20 0 FIADLP Cc1nn(C(C)C)cc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000467434791 1092234118 /nfs/dbraw/zinc/23/41/18/1092234118.db2.gz FOOQXPFNLGDBJC-AVRDEDQJSA-N 2 2 354.542 4.257 20 0 FIADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000521016648 1092425237 /nfs/dbraw/zinc/42/52/37/1092425237.db2.gz QGBCDIFIFFXLHY-HKUYNNGSSA-N 2 2 371.500 4.182 20 0 FIADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000521016648 1092425241 /nfs/dbraw/zinc/42/52/41/1092425241.db2.gz QGBCDIFIFFXLHY-HKUYNNGSSA-N 2 2 371.500 4.182 20 0 FIADLP Clc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC24CC(C2)C[NH2+]4)CCC3)cc1 ZINC000665277745 1092529301 /nfs/dbraw/zinc/52/93/01/1092529301.db2.gz KLRYQFQDBJMFEU-IHBYNMNLSA-N 2 2 359.926 4.183 20 0 FIADLP COCCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)cc1 ZINC000442800302 1092775238 /nfs/dbraw/zinc/77/52/38/1092775238.db2.gz ZNWSHRAJRPQAGA-FQEVSTJZSA-N 2 2 371.431 4.408 20 0 FIADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000894037409 1092874758 /nfs/dbraw/zinc/87/47/58/1092874758.db2.gz KQYNSDHOWNVOSV-AWEZNQCLSA-N 2 2 353.532 4.011 20 0 FIADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000894037409 1092874766 /nfs/dbraw/zinc/87/47/66/1092874766.db2.gz KQYNSDHOWNVOSV-AWEZNQCLSA-N 2 2 353.532 4.011 20 0 FIADLP Fc1ccc(Br)cc1CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000521831475 1092933294 /nfs/dbraw/zinc/93/32/94/1092933294.db2.gz WBISLVVLHQNAMB-UHFFFAOYSA-N 2 2 374.257 4.106 20 0 FIADLP Fc1ccccc1COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000521816960 1092936318 /nfs/dbraw/zinc/93/63/18/1092936318.db2.gz OZBIDWJWLZENKI-VXKWHMMOSA-N 2 2 354.469 4.121 20 0 FIADLP Fc1ccccc1COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000521816960 1092936322 /nfs/dbraw/zinc/93/63/22/1092936322.db2.gz OZBIDWJWLZENKI-VXKWHMMOSA-N 2 2 354.469 4.121 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OC(F)F)cc1 ZINC000152118746 1092997991 /nfs/dbraw/zinc/99/79/91/1092997991.db2.gz KIPLNJCVXZPEJP-OAHLLOKOSA-N 2 2 357.404 4.384 20 0 FIADLP C[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000152228300 1093201650 /nfs/dbraw/zinc/20/16/50/1093201650.db2.gz FYEJHDXYLRUVGW-LBPRGKRZSA-N 2 2 366.412 4.241 20 0 FIADLP Cc1[nH+]cc(CNc2cccc3c2OCC[C@H]3[NH+](C)C)n1-c1ccccc1 ZINC000433190777 1093394201 /nfs/dbraw/zinc/39/42/01/1093394201.db2.gz RRATVTJUEPUMCQ-OAQYLSRUSA-N 2 2 362.477 4.178 20 0 FIADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000191691520 1093732011 /nfs/dbraw/zinc/73/20/11/1093732011.db2.gz AENOLIRIBLPNJR-UHFFFAOYSA-N 2 2 351.741 4.126 20 0 FIADLP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000513091077 1093817520 /nfs/dbraw/zinc/81/75/20/1093817520.db2.gz XUXXWRCBLJQCAL-ACIOBRDBSA-N 2 2 361.489 4.313 20 0 FIADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCSc4ccccc43)C2)cc1 ZINC000191835175 1094338262 /nfs/dbraw/zinc/33/82/62/1094338262.db2.gz FHYUHVLWIDXNBR-PZJWPPBQSA-N 2 2 368.546 4.104 20 0 FIADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCSc4ccccc43)C2)cc1 ZINC000191835175 1094338284 /nfs/dbraw/zinc/33/82/84/1094338284.db2.gz FHYUHVLWIDXNBR-PZJWPPBQSA-N 2 2 368.546 4.104 20 0 FIADLP C[C@@H](C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000501008224 1094418463 /nfs/dbraw/zinc/41/84/63/1094418463.db2.gz OSHMGCCDEZSRGY-JKSUJKDBSA-N 2 2 365.443 4.497 20 0 FIADLP C[C@@H](C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000501008224 1094418467 /nfs/dbraw/zinc/41/84/67/1094418467.db2.gz OSHMGCCDEZSRGY-JKSUJKDBSA-N 2 2 365.443 4.497 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCC(=O)[C@@H]3CCCC[C@@H]32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039656 1094450796 /nfs/dbraw/zinc/45/07/96/1094450796.db2.gz GVPCFRBIYXKXFT-RXRQOCSWSA-N 2 2 354.538 4.262 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCC(=O)[C@@H]3CCCC[C@@H]32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039656 1094450856 /nfs/dbraw/zinc/45/08/56/1094450856.db2.gz GVPCFRBIYXKXFT-RXRQOCSWSA-N 2 2 354.538 4.262 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039656 1094450867 /nfs/dbraw/zinc/45/08/67/1094450867.db2.gz GVPCFRBIYXKXFT-RXRQOCSWSA-N 2 2 354.538 4.262 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039656 1094450877 /nfs/dbraw/zinc/45/08/77/1094450877.db2.gz GVPCFRBIYXKXFT-RXRQOCSWSA-N 2 2 354.538 4.262 20 0 FIADLP C[C@@H]1CC([N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039655 1094451419 /nfs/dbraw/zinc/45/14/19/1094451419.db2.gz GVPCFRBIYXKXFT-MCEIDBOGSA-N 2 2 354.538 4.262 20 0 FIADLP C[C@@H]1CC([N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039655 1094451423 /nfs/dbraw/zinc/45/14/23/1094451423.db2.gz GVPCFRBIYXKXFT-MCEIDBOGSA-N 2 2 354.538 4.262 20 0 FIADLP CCOC(=O)C1(C)CCC([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000474713253 1094536845 /nfs/dbraw/zinc/53/68/45/1094536845.db2.gz XIPUADVVAALQDY-BWDFOLQRSA-N 2 2 360.542 4.217 20 0 FIADLP O[C@@H]1CC[N@H+](Cc2ccc(CNc3cc[nH+]c4c(Cl)cccc34)cc2)C1 ZINC000664237246 1094598090 /nfs/dbraw/zinc/59/80/90/1094598090.db2.gz REOSUUACWSLTCW-QGZVFWFLSA-N 2 2 367.880 4.067 20 0 FIADLP O[C@@H]1CC[N@@H+](Cc2ccc(CNc3cc[nH+]c4c(Cl)cccc34)cc2)C1 ZINC000664237246 1094598101 /nfs/dbraw/zinc/59/81/01/1094598101.db2.gz REOSUUACWSLTCW-QGZVFWFLSA-N 2 2 367.880 4.067 20 0 FIADLP CCOC(=O)C1(C)CCC([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000474794751 1094609168 /nfs/dbraw/zinc/60/91/68/1094609168.db2.gz KYVNNLDQCRYSBG-SRWJYRBRSA-N 2 2 355.482 4.035 20 0 FIADLP Cc1ccccc1-n1nccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000474805190 1094642392 /nfs/dbraw/zinc/64/23/92/1094642392.db2.gz SYESUEVFIBRBMU-UNMCSNQZSA-N 2 2 374.532 4.323 20 0 FIADLP Cc1ccccc1-n1nccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000474805190 1094642402 /nfs/dbraw/zinc/64/24/02/1094642402.db2.gz SYESUEVFIBRBMU-UNMCSNQZSA-N 2 2 374.532 4.323 20 0 FIADLP Fc1cc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)ccc1-n1cc[nH+]c1 ZINC000501438742 1094712184 /nfs/dbraw/zinc/71/21/84/1094712184.db2.gz VDFPOOKULDVONV-HKUYNNGSSA-N 2 2 350.441 4.222 20 0 FIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)[nH+]1 ZINC000501454184 1094721643 /nfs/dbraw/zinc/72/16/43/1094721643.db2.gz URXJNSNXQIWRPP-IFMALSPDSA-N 2 2 360.505 4.185 20 0 FIADLP COc1ccc2oc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cc2c1 ZINC000179286291 1094776956 /nfs/dbraw/zinc/77/69/56/1094776956.db2.gz JBJOVIKYRARNSR-UHFFFAOYSA-N 2 2 364.489 4.238 20 0 FIADLP Clc1ccccc1-c1csc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420377997 1094905747 /nfs/dbraw/zinc/90/57/47/1094905747.db2.gz AWGYTQIBDABVLI-KBXCAEBGSA-N 2 2 361.942 4.428 20 0 FIADLP Clc1ccccc1-c1csc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420377997 1094905750 /nfs/dbraw/zinc/90/57/50/1094905750.db2.gz AWGYTQIBDABVLI-KBXCAEBGSA-N 2 2 361.942 4.428 20 0 FIADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCC(=O)Nc3ccccc31)C2 ZINC000329597842 1094990478 /nfs/dbraw/zinc/99/04/78/1094990478.db2.gz PNSUQEZETBCFTE-WMLDXEAASA-N 2 2 352.482 4.208 20 0 FIADLP O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000192471184 1095083533 /nfs/dbraw/zinc/08/35/33/1095083533.db2.gz GYAZLPQQXBZCLF-UHFFFAOYSA-N 2 2 363.436 4.106 20 0 FIADLP FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420960865 1095202031 /nfs/dbraw/zinc/20/20/31/1095202031.db2.gz HPEBWENAAKPWEZ-OALUTQOASA-N 2 2 370.459 4.120 20 0 FIADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)c1 ZINC000502305972 1095329448 /nfs/dbraw/zinc/32/94/48/1095329448.db2.gz BXRZLSKUICWZSI-INIZCTEOSA-N 2 2 359.901 4.261 20 0 FIADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)c1 ZINC000502305972 1095329455 /nfs/dbraw/zinc/32/94/55/1095329455.db2.gz BXRZLSKUICWZSI-INIZCTEOSA-N 2 2 359.901 4.261 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cnn(C2CCCC2)c1 ZINC000502452294 1095473509 /nfs/dbraw/zinc/47/35/09/1095473509.db2.gz MQNABGFOLVBXET-ROUUACIJSA-N 2 2 367.541 4.269 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(C3CC3)c2)[C@@H]1c1cnn(C)c1 ZINC000421347466 1095542120 /nfs/dbraw/zinc/54/21/20/1095542120.db2.gz VDKNKGFWKSSJNT-JTHBVZDNSA-N 2 2 366.553 4.203 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(C3CC3)c2)[C@@H]1c1cnn(C)c1 ZINC000421347466 1095542137 /nfs/dbraw/zinc/54/21/37/1095542137.db2.gz VDKNKGFWKSSJNT-JTHBVZDNSA-N 2 2 366.553 4.203 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cccc(C3CC3)c2)[C@@H]1c1cnn(C)c1 ZINC000421347466 1095542150 /nfs/dbraw/zinc/54/21/50/1095542150.db2.gz VDKNKGFWKSSJNT-JTHBVZDNSA-N 2 2 366.553 4.203 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cccc(C3CC3)c2)[C@@H]1c1cnn(C)c1 ZINC000421347466 1095542166 /nfs/dbraw/zinc/54/21/66/1095542166.db2.gz VDKNKGFWKSSJNT-JTHBVZDNSA-N 2 2 366.553 4.203 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443991147 1095589305 /nfs/dbraw/zinc/58/93/05/1095589305.db2.gz TVZKJDFCFSIYFK-CZUORRHYSA-N 2 2 369.456 4.162 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443991147 1095589315 /nfs/dbraw/zinc/58/93/15/1095589315.db2.gz TVZKJDFCFSIYFK-CZUORRHYSA-N 2 2 369.456 4.162 20 0 FIADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)cc2)C1 ZINC000522741375 1095625222 /nfs/dbraw/zinc/62/52/22/1095625222.db2.gz NXRSHGKHEWVTEH-SFHVURJKSA-N 2 2 374.488 4.357 20 0 FIADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)cc2)C1 ZINC000522741375 1095625230 /nfs/dbraw/zinc/62/52/30/1095625230.db2.gz NXRSHGKHEWVTEH-SFHVURJKSA-N 2 2 374.488 4.357 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cnn(C3CCCC3)c2)cc1F ZINC000502697342 1095720057 /nfs/dbraw/zinc/72/00/57/1095720057.db2.gz IEYDCUOBYCLWIK-HNNXBMFYSA-N 2 2 367.472 4.482 20 0 FIADLP C[C@H]1CC([N@@H+]2CCOc3ccccc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051023 1095768313 /nfs/dbraw/zinc/76/83/13/1095768313.db2.gz FIWYJDOYYIGJFQ-OALUTQOASA-N 2 2 350.506 4.323 20 0 FIADLP C[C@H]1CC([N@H+]2CCOc3ccccc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051023 1095768329 /nfs/dbraw/zinc/76/83/29/1095768329.db2.gz FIWYJDOYYIGJFQ-OALUTQOASA-N 2 2 350.506 4.323 20 0 FIADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411190 1096389945 /nfs/dbraw/zinc/38/99/45/1096389945.db2.gz ZTZPCXGXHKSZHO-OAHLLOKOSA-N 2 2 359.901 4.261 20 0 FIADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411190 1096389949 /nfs/dbraw/zinc/38/99/49/1096389949.db2.gz ZTZPCXGXHKSZHO-OAHLLOKOSA-N 2 2 359.901 4.261 20 0 FIADLP Fc1cccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2cccc(Br)c2)c1 ZINC000422872182 1096517470 /nfs/dbraw/zinc/51/74/70/1096517470.db2.gz GBNHBVTXFXYNDP-SFHVURJKSA-N 2 2 363.274 4.019 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1nc(-c2ccncc2)cs1 ZINC000422911594 1096522526 /nfs/dbraw/zinc/52/25/26/1096522526.db2.gz LDGWQRXOCQZWNE-SNRMKQJTSA-N 2 2 364.518 4.349 20 0 FIADLP CCSc1cccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000414710712 1096546828 /nfs/dbraw/zinc/54/68/28/1096546828.db2.gz HBIBQOMRNWMSGS-FQEVSTJZSA-N 2 2 355.551 4.338 20 0 FIADLP CCSc1cccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000414710712 1096546834 /nfs/dbraw/zinc/54/68/34/1096546834.db2.gz HBIBQOMRNWMSGS-FQEVSTJZSA-N 2 2 355.551 4.338 20 0 FIADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423189618 1096610944 /nfs/dbraw/zinc/61/09/44/1096610944.db2.gz PUABMLXCXOQOHA-IBGZPJMESA-N 2 2 359.901 4.027 20 0 FIADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(Oc2ccccc2)cn1 ZINC000423190253 1096611784 /nfs/dbraw/zinc/61/17/84/1096611784.db2.gz QTEIOUYSLHPCTL-SFHVURJKSA-N 2 2 362.477 4.099 20 0 FIADLP Brc1ccccc1[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000423220376 1096621532 /nfs/dbraw/zinc/62/15/32/1096621532.db2.gz YHPXCCNJQQXFPZ-KXBFYZLASA-N 2 2 359.311 4.128 20 0 FIADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423248722 1096628931 /nfs/dbraw/zinc/62/89/31/1096628931.db2.gz SCWQWZZNCLLPNO-LDQXTDLNSA-N 2 2 372.484 4.124 20 0 FIADLP CSc1cccc([C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)c2ccc(F)c(F)c2)c1 ZINC000423405896 1096673705 /nfs/dbraw/zinc/67/37/05/1096673705.db2.gz UHSRGWKSHRPPAC-CWVNLOTRSA-N 2 2 362.489 4.364 20 0 FIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000423508977 1096702244 /nfs/dbraw/zinc/70/22/44/1096702244.db2.gz RIOUOFFWHBRQNU-AUUYWEPGSA-N 2 2 366.534 4.427 20 0 FIADLP C[NH+](C)Cc1ccc(-c2noc([C@@H](c3cccc(Cl)c3)[NH+](C)C)n2)cc1 ZINC000504230738 1096713742 /nfs/dbraw/zinc/71/37/42/1096713742.db2.gz VFZVHYMADJCZRX-GOSISDBHSA-N 2 2 370.884 4.103 20 0 FIADLP CC1CCC(OC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)CC1 ZINC000533282118 1098944738 /nfs/dbraw/zinc/94/47/38/1098944738.db2.gz QPDSLEUGIQZVST-UHFFFAOYSA-N 2 2 353.510 4.432 20 0 FIADLP C[C@@]1(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CCC[N@@H+]1Cc1ccccc1 ZINC000436403999 1098992924 /nfs/dbraw/zinc/99/29/24/1098992924.db2.gz AZBFNQBWVJFICW-NRFANRHFSA-N 2 2 366.534 4.283 20 0 FIADLP C[C@@]1(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CCC[N@H+]1Cc1ccccc1 ZINC000436403999 1098992926 /nfs/dbraw/zinc/99/29/26/1098992926.db2.gz AZBFNQBWVJFICW-NRFANRHFSA-N 2 2 366.534 4.283 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533440965 1099066842 /nfs/dbraw/zinc/06/68/42/1099066842.db2.gz TZALUKIBRLRQBU-VQTJNVASSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533440965 1099066854 /nfs/dbraw/zinc/06/68/54/1099066854.db2.gz TZALUKIBRLRQBU-VQTJNVASSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533440965 1099066866 /nfs/dbraw/zinc/06/68/66/1099066866.db2.gz TZALUKIBRLRQBU-VQTJNVASSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533440965 1099066880 /nfs/dbraw/zinc/06/68/80/1099066880.db2.gz TZALUKIBRLRQBU-VQTJNVASSA-N 2 2 364.537 4.230 20 0 FIADLP OCCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCc2ccccc21 ZINC000533475584 1099087611 /nfs/dbraw/zinc/08/76/11/1099087611.db2.gz XZDFWECYCFWPCV-HSZRJFAPSA-N 2 2 361.489 4.134 20 0 FIADLP OCCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCc2ccccc21 ZINC000533475584 1099087622 /nfs/dbraw/zinc/08/76/22/1099087622.db2.gz XZDFWECYCFWPCV-HSZRJFAPSA-N 2 2 361.489 4.134 20 0 FIADLP COc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccc(C)cc2)cc1 ZINC000459386293 1099179958 /nfs/dbraw/zinc/17/99/58/1099179958.db2.gz BCZWAABXEXZJNG-HSZRJFAPSA-N 2 2 350.506 4.309 20 0 FIADLP Fc1cccc(Cl)c1C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCSC1 ZINC000516118142 1099199587 /nfs/dbraw/zinc/19/95/87/1099199587.db2.gz SDZRRDGUADCEKS-HNNXBMFYSA-N 2 2 367.921 4.321 20 0 FIADLP Fc1cccc(Cl)c1C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCSC1 ZINC000516118142 1099199593 /nfs/dbraw/zinc/19/95/93/1099199593.db2.gz SDZRRDGUADCEKS-HNNXBMFYSA-N 2 2 367.921 4.321 20 0 FIADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655762513 1099321288 /nfs/dbraw/zinc/32/12/88/1099321288.db2.gz WMFOHLYJXXZNEK-IEBWSBKVSA-N 2 2 370.459 4.222 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000246872043 1099376593 /nfs/dbraw/zinc/37/65/93/1099376593.db2.gz DNEKDEMXSSHRLO-UXPWSPDFSA-N 2 2 353.535 4.119 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000246872043 1099376603 /nfs/dbraw/zinc/37/66/03/1099376603.db2.gz DNEKDEMXSSHRLO-UXPWSPDFSA-N 2 2 353.535 4.119 20 0 FIADLP CSCc1cnc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000516666230 1099696125 /nfs/dbraw/zinc/69/61/25/1099696125.db2.gz MBKNNAAWTABQSB-ZDUSSCGKSA-N 2 2 358.536 4.351 20 0 FIADLP CCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(OCCC)c1 ZINC000516686158 1099723109 /nfs/dbraw/zinc/72/31/09/1099723109.db2.gz RHAPRNPQZNVMTO-YOFSQIOKSA-N 2 2 360.542 4.321 20 0 FIADLP CCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(OCCC)c1 ZINC000516686158 1099723121 /nfs/dbraw/zinc/72/31/21/1099723121.db2.gz RHAPRNPQZNVMTO-YOFSQIOKSA-N 2 2 360.542 4.321 20 0 FIADLP CCCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OCCC)c1 ZINC000516686158 1099723131 /nfs/dbraw/zinc/72/31/31/1099723131.db2.gz RHAPRNPQZNVMTO-YOFSQIOKSA-N 2 2 360.542 4.321 20 0 FIADLP CCCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OCCC)c1 ZINC000516686158 1099723140 /nfs/dbraw/zinc/72/31/40/1099723140.db2.gz RHAPRNPQZNVMTO-YOFSQIOKSA-N 2 2 360.542 4.321 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000508679915 1099751417 /nfs/dbraw/zinc/75/14/17/1099751417.db2.gz ROYBQOFWDDFDEN-IBGZPJMESA-N 2 2 353.510 4.196 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000508679915 1099751425 /nfs/dbraw/zinc/75/14/25/1099751425.db2.gz ROYBQOFWDDFDEN-IBGZPJMESA-N 2 2 353.510 4.196 20 0 FIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1occc1C ZINC000506016596 1099769843 /nfs/dbraw/zinc/76/98/43/1099769843.db2.gz JSBYFJROLVBKKR-UHFFFAOYSA-N 2 2 353.466 4.276 20 0 FIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1occc1C ZINC000506016596 1099769847 /nfs/dbraw/zinc/76/98/47/1099769847.db2.gz JSBYFJROLVBKKR-UHFFFAOYSA-N 2 2 353.466 4.276 20 0 FIADLP Cc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(OC(F)F)cc1C ZINC000508689716 1099824754 /nfs/dbraw/zinc/82/47/54/1099824754.db2.gz HZRPXXZAWSONSC-MRXNPFEDSA-N 2 2 363.452 4.093 20 0 FIADLP Cc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(OC(F)F)cc1C ZINC000508689716 1099824761 /nfs/dbraw/zinc/82/47/61/1099824761.db2.gz HZRPXXZAWSONSC-MRXNPFEDSA-N 2 2 363.452 4.093 20 0 FIADLP c1cc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cs1 ZINC000437605981 1100030330 /nfs/dbraw/zinc/03/03/30/1100030330.db2.gz SZTGIGAIHITOGR-KRWDZBQOSA-N 2 2 358.555 4.226 20 0 FIADLP c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cs1 ZINC000437605981 1100030343 /nfs/dbraw/zinc/03/03/43/1100030343.db2.gz SZTGIGAIHITOGR-KRWDZBQOSA-N 2 2 358.555 4.226 20 0 FIADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459399445 1100107805 /nfs/dbraw/zinc/10/78/05/1100107805.db2.gz LYJQXIYVYBNZNM-ZWKOTPCHSA-N 2 2 351.416 4.250 20 0 FIADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459399445 1100107811 /nfs/dbraw/zinc/10/78/11/1100107811.db2.gz LYJQXIYVYBNZNM-ZWKOTPCHSA-N 2 2 351.416 4.250 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437699490 1100111195 /nfs/dbraw/zinc/11/11/95/1100111195.db2.gz IMCRGXRJHLZLSO-IRXDYDNUSA-N 2 2 358.555 4.225 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437699490 1100111199 /nfs/dbraw/zinc/11/11/99/1100111199.db2.gz IMCRGXRJHLZLSO-IRXDYDNUSA-N 2 2 358.555 4.225 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437699490 1100111208 /nfs/dbraw/zinc/11/12/08/1100111208.db2.gz IMCRGXRJHLZLSO-IRXDYDNUSA-N 2 2 358.555 4.225 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437699490 1100111214 /nfs/dbraw/zinc/11/12/14/1100111214.db2.gz IMCRGXRJHLZLSO-IRXDYDNUSA-N 2 2 358.555 4.225 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536672219 1100155711 /nfs/dbraw/zinc/15/57/11/1100155711.db2.gz OPWLQBANNBBACN-OAQYLSRUSA-N 2 2 368.569 4.209 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536672219 1100155714 /nfs/dbraw/zinc/15/57/14/1100155714.db2.gz OPWLQBANNBBACN-OAQYLSRUSA-N 2 2 368.569 4.209 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536672219 1100155719 /nfs/dbraw/zinc/15/57/19/1100155719.db2.gz OPWLQBANNBBACN-OAQYLSRUSA-N 2 2 368.569 4.209 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536672219 1100155726 /nfs/dbraw/zinc/15/57/26/1100155726.db2.gz OPWLQBANNBBACN-OAQYLSRUSA-N 2 2 368.569 4.209 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)CC2=Cc3ccccc3OC2)CC[N@@H+]1Cc1ccccc1 ZINC000536675519 1100163061 /nfs/dbraw/zinc/16/30/61/1100163061.db2.gz TWHPZIBNAHMIRK-AUSIDOKSSA-N 2 2 362.517 4.447 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)CC2=Cc3ccccc3OC2)CC[N@H+]1Cc1ccccc1 ZINC000536675519 1100163065 /nfs/dbraw/zinc/16/30/65/1100163065.db2.gz TWHPZIBNAHMIRK-AUSIDOKSSA-N 2 2 362.517 4.447 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)CC2=Cc3ccccc3OC2)CC[NH+]1Cc1ccccc1 ZINC000536675519 1100163070 /nfs/dbraw/zinc/16/30/70/1100163070.db2.gz TWHPZIBNAHMIRK-AUSIDOKSSA-N 2 2 362.517 4.447 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)CC2=Cc3ccccc3OC2)CC[NH+]1Cc1ccccc1 ZINC000536675519 1100163076 /nfs/dbraw/zinc/16/30/76/1100163076.db2.gz TWHPZIBNAHMIRK-AUSIDOKSSA-N 2 2 362.517 4.447 20 0 FIADLP Brc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000536731510 1100239286 /nfs/dbraw/zinc/23/92/86/1100239286.db2.gz LXELTNMHPOLQHT-PBHICJAKSA-N 2 2 360.299 4.429 20 0 FIADLP Brc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000536731510 1100239297 /nfs/dbraw/zinc/23/92/97/1100239297.db2.gz LXELTNMHPOLQHT-PBHICJAKSA-N 2 2 360.299 4.429 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000536834935 1100346387 /nfs/dbraw/zinc/34/63/87/1100346387.db2.gz YUAWAHMAUFSGAA-AZUAARDMSA-N 3 2 354.542 4.199 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000536834935 1100346396 /nfs/dbraw/zinc/34/63/96/1100346396.db2.gz YUAWAHMAUFSGAA-AZUAARDMSA-N 3 2 354.542 4.199 20 0 FIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cnn(C(C)C)c2)c(C)c1 ZINC000536841494 1100353065 /nfs/dbraw/zinc/35/30/65/1100353065.db2.gz XSABBJOECUVUPB-NQIIRXRSSA-N 2 2 351.498 4.369 20 0 FIADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000536841152 1100353601 /nfs/dbraw/zinc/35/36/01/1100353601.db2.gz WDMDCTBJAVFFTQ-MSOLQXFVSA-N 2 2 353.510 4.275 20 0 FIADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000536841430 1100354088 /nfs/dbraw/zinc/35/40/88/1100354088.db2.gz WDMDCTBJAVFFTQ-QZTJIDSGSA-N 2 2 353.510 4.275 20 0 FIADLP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000438003173 1100361125 /nfs/dbraw/zinc/36/11/25/1100361125.db2.gz VSHBYIWKTGJZOO-IBGZPJMESA-N 2 2 366.484 4.189 20 0 FIADLP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000438003173 1100361135 /nfs/dbraw/zinc/36/11/35/1100361135.db2.gz VSHBYIWKTGJZOO-IBGZPJMESA-N 2 2 366.484 4.189 20 0 FIADLP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000438003173 1100361146 /nfs/dbraw/zinc/36/11/46/1100361146.db2.gz VSHBYIWKTGJZOO-IBGZPJMESA-N 2 2 366.484 4.189 20 0 FIADLP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000438003173 1100361153 /nfs/dbraw/zinc/36/11/53/1100361153.db2.gz VSHBYIWKTGJZOO-IBGZPJMESA-N 2 2 366.484 4.189 20 0 FIADLP CC(C)(C)Oc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000536831972 1100369258 /nfs/dbraw/zinc/36/92/58/1100369258.db2.gz JTTHDCLACLAANL-UHFFFAOYSA-N 2 2 367.537 4.056 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425948367 1100422759 /nfs/dbraw/zinc/42/27/59/1100422759.db2.gz AKOPPFISJPODNK-AOMKIAJQSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425948367 1100422765 /nfs/dbraw/zinc/42/27/65/1100422765.db2.gz AKOPPFISJPODNK-AOMKIAJQSA-N 2 2 353.485 4.098 20 0 FIADLP CCOc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1OCc1ccccc1 ZINC000517538634 1100460981 /nfs/dbraw/zinc/46/09/81/1100460981.db2.gz GFYQGKYQUMYHGS-GOSISDBHSA-N 2 2 365.477 4.039 20 0 FIADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000414931688 1100678672 /nfs/dbraw/zinc/67/86/72/1100678672.db2.gz BYSSRJHJDBIVOR-QMTHXVAHSA-N 2 2 356.322 4.205 20 0 FIADLP COc1ccc(CC[C@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1O ZINC000426173285 1100942527 /nfs/dbraw/zinc/94/25/27/1100942527.db2.gz SJIFILXKBGRKNY-ROUUACIJSA-N 2 2 370.537 4.441 20 0 FIADLP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001167964321 1101348465 /nfs/dbraw/zinc/34/84/65/1101348465.db2.gz OXLPUZDLYCQICJ-ARVAWAHQSA-N 3 2 367.581 4.035 20 0 FIADLP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001167964321 1101348480 /nfs/dbraw/zinc/34/84/80/1101348480.db2.gz OXLPUZDLYCQICJ-ARVAWAHQSA-N 3 2 367.581 4.035 20 0 FIADLP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001167964321 1101348493 /nfs/dbraw/zinc/34/84/93/1101348493.db2.gz OXLPUZDLYCQICJ-ARVAWAHQSA-N 3 2 367.581 4.035 20 0 FIADLP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001167964321 1101348509 /nfs/dbraw/zinc/34/85/09/1101348509.db2.gz OXLPUZDLYCQICJ-ARVAWAHQSA-N 3 2 367.581 4.035 20 0 FIADLP COc1ccc(CC[C@H](C)[NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)cc1O ZINC000426413692 1101516957 /nfs/dbraw/zinc/51/69/57/1101516957.db2.gz XUWBDZWGKZHYMQ-GHTZIAJQSA-N 2 2 368.521 4.149 20 0 FIADLP CC(C)[C@H](C[NH2+]CC1=Cc2ccccc2OC1)[N@@H+]1CCc2ccccc2C1 ZINC000518766142 1101525696 /nfs/dbraw/zinc/52/56/96/1101525696.db2.gz CGPLUUBOULNLBS-QHCPKHFHSA-N 2 2 362.517 4.135 20 0 FIADLP CC(C)[C@H](C[NH2+]CC1=Cc2ccccc2OC1)[N@H+]1CCc2ccccc2C1 ZINC000518766142 1101525704 /nfs/dbraw/zinc/52/57/04/1101525704.db2.gz CGPLUUBOULNLBS-QHCPKHFHSA-N 2 2 362.517 4.135 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)o2)cn1 ZINC000180801822 1101587710 /nfs/dbraw/zinc/58/77/10/1101587710.db2.gz DZEWJKIZRHPEFY-UHFFFAOYSA-N 2 2 360.417 4.251 20 0 FIADLP CCCOc1c(Cl)cc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1OCC ZINC000506646385 1101667659 /nfs/dbraw/zinc/66/76/59/1101667659.db2.gz OVNOPHOQYWYRSA-UHFFFAOYSA-N 2 2 368.949 4.444 20 0 FIADLP CCCOc1c(Cl)cc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1OCC ZINC000506646385 1101667667 /nfs/dbraw/zinc/66/76/67/1101667667.db2.gz OVNOPHOQYWYRSA-UHFFFAOYSA-N 2 2 368.949 4.444 20 0 FIADLP C[N@H+](CCC[NH2+]Cc1csc(Br)c1)Cc1ccccc1 ZINC000035251434 1101952833 /nfs/dbraw/zinc/95/28/33/1101952833.db2.gz OETUYNAJMCIVLA-UHFFFAOYSA-N 2 2 353.329 4.122 20 0 FIADLP C[N@@H+](CCC[NH2+]Cc1csc(Br)c1)Cc1ccccc1 ZINC000035251434 1101952834 /nfs/dbraw/zinc/95/28/34/1101952834.db2.gz OETUYNAJMCIVLA-UHFFFAOYSA-N 2 2 353.329 4.122 20 0 FIADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1Cl ZINC000537485781 1102169640 /nfs/dbraw/zinc/16/96/40/1102169640.db2.gz GFDHVETUEPVOSJ-OAHLLOKOSA-N 2 2 358.917 4.439 20 0 FIADLP Cn1c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)nc2cc(Cl)ccc21 ZINC000550794452 1102320463 /nfs/dbraw/zinc/32/04/63/1102320463.db2.gz HBNXNOCCAWVVJJ-XLIONFOSSA-N 2 2 368.912 4.152 20 0 FIADLP Cn1c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)nc2cc(Cl)ccc21 ZINC000550794452 1102320476 /nfs/dbraw/zinc/32/04/76/1102320476.db2.gz HBNXNOCCAWVVJJ-XLIONFOSSA-N 2 2 368.912 4.152 20 0 FIADLP Brc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCS2 ZINC000532448900 1102337434 /nfs/dbraw/zinc/33/74/34/1102337434.db2.gz NZGAEJBWXJIOGQ-HNNXBMFYSA-N 2 2 366.328 4.253 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(OC)c1 ZINC000121723883 1102444276 /nfs/dbraw/zinc/44/42/76/1102444276.db2.gz IAEWZQZPPCXDCV-SFHVURJKSA-N 2 2 368.521 4.062 20 0 FIADLP Cc1oc2ccccc2c1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000122357333 1102579097 /nfs/dbraw/zinc/57/90/97/1102579097.db2.gz KYBNHYJJLAAFOO-UHFFFAOYSA-N 2 2 363.505 4.275 20 0 FIADLP Cc1oc2ccccc2c1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000122357333 1102579102 /nfs/dbraw/zinc/57/91/02/1102579102.db2.gz KYBNHYJJLAAFOO-UHFFFAOYSA-N 2 2 363.505 4.275 20 0 FIADLP Cc1nc([C@H](C)[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000664839364 1102736984 /nfs/dbraw/zinc/73/69/84/1102736984.db2.gz YKNQGOAOYVYUPI-OXJNMPFZSA-N 2 2 368.525 4.062 20 0 FIADLP Cc1nc([C@H](C)[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000664839364 1102737000 /nfs/dbraw/zinc/73/70/00/1102737000.db2.gz YKNQGOAOYVYUPI-OXJNMPFZSA-N 2 2 368.525 4.062 20 0 FIADLP C[C@H](c1csnn1)[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664839325 1102740974 /nfs/dbraw/zinc/74/09/74/1102740974.db2.gz XFJSPMSDOXIIFL-UZLBHIALSA-N 2 2 370.566 4.222 20 0 FIADLP C[C@H](c1csnn1)[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664839325 1102740984 /nfs/dbraw/zinc/74/09/84/1102740984.db2.gz XFJSPMSDOXIIFL-UZLBHIALSA-N 2 2 370.566 4.222 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)N(C)C)cc1 ZINC000551014268 1102790945 /nfs/dbraw/zinc/79/09/45/1102790945.db2.gz QVTVMSDUIKGDRF-VJBWXMMDSA-N 2 2 351.538 4.023 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)N(C)C)cc1 ZINC000551014268 1102790954 /nfs/dbraw/zinc/79/09/54/1102790954.db2.gz QVTVMSDUIKGDRF-VJBWXMMDSA-N 2 2 351.538 4.023 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)o2)CC[N@@H+]1Cc1ccccc1 ZINC000188739838 1102792546 /nfs/dbraw/zinc/79/25/46/1102792546.db2.gz KGCJMLIZKBWRFN-HOCLYGCPSA-N 2 2 363.299 4.185 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)o2)CC[N@H+]1Cc1ccccc1 ZINC000188739838 1102792559 /nfs/dbraw/zinc/79/25/59/1102792559.db2.gz KGCJMLIZKBWRFN-HOCLYGCPSA-N 2 2 363.299 4.185 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(Cl)cc1Br)CCC2 ZINC000532705961 1103012791 /nfs/dbraw/zinc/01/27/91/1103012791.db2.gz XMZIBONOLBOWEG-ZDUSSCGKSA-N 2 2 368.706 4.275 20 0 FIADLP C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000551263129 1103020571 /nfs/dbraw/zinc/02/05/71/1103020571.db2.gz MVGSFAICORZPDW-CQSZACIVSA-N 2 2 360.383 4.179 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000551265723 1103025528 /nfs/dbraw/zinc/02/55/28/1103025528.db2.gz YTCOQDHPTBJQHU-LAUBAEHRSA-N 2 2 365.546 4.339 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000551265723 1103025544 /nfs/dbraw/zinc/02/55/44/1103025544.db2.gz YTCOQDHPTBJQHU-LAUBAEHRSA-N 2 2 365.546 4.339 20 0 FIADLP CC[N@H+](CCOC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532733126 1103141033 /nfs/dbraw/zinc/14/10/33/1103141033.db2.gz IIINAFDRCRVMQT-UHFFFAOYSA-N 2 2 362.562 4.014 20 0 FIADLP CC[N@@H+](CCOC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532733126 1103141038 /nfs/dbraw/zinc/14/10/38/1103141038.db2.gz IIINAFDRCRVMQT-UHFFFAOYSA-N 2 2 362.562 4.014 20 0 FIADLP Brc1cccc(-c2ccc(C[NH2+]CCn3cc[nH+]c3)s2)c1 ZINC000236579055 1103165391 /nfs/dbraw/zinc/16/53/91/1103165391.db2.gz BZPLOODXZPEVSJ-UHFFFAOYSA-N 2 2 362.296 4.164 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(C(C)(C)C)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000551553118 1103350974 /nfs/dbraw/zinc/35/09/74/1103350974.db2.gz UMCJAUMYDQKWQM-WIYYLYMNSA-N 2 2 366.553 4.259 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(C(C)(C)C)nc2)CC[N@H+]1Cc1ccccc1 ZINC000551553118 1103350989 /nfs/dbraw/zinc/35/09/89/1103350989.db2.gz UMCJAUMYDQKWQM-WIYYLYMNSA-N 2 2 366.553 4.259 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(C(C)(C)C)nc2)CC[NH+]1Cc1ccccc1 ZINC000551553118 1103351007 /nfs/dbraw/zinc/35/10/07/1103351007.db2.gz UMCJAUMYDQKWQM-WIYYLYMNSA-N 2 2 366.553 4.259 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(C(C)(C)C)nc2)CC[NH+]1Cc1ccccc1 ZINC000551553118 1103351021 /nfs/dbraw/zinc/35/10/21/1103351021.db2.gz UMCJAUMYDQKWQM-WIYYLYMNSA-N 2 2 366.553 4.259 20 0 FIADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc(OC(F)F)cc2)CC1 ZINC000551775489 1103617548 /nfs/dbraw/zinc/61/75/48/1103617548.db2.gz GTUOOKGMMARLPJ-UHFFFAOYSA-N 2 2 360.448 4.384 20 0 FIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc(OC(F)F)cc2)CC1 ZINC000551775489 1103617552 /nfs/dbraw/zinc/61/75/52/1103617552.db2.gz GTUOOKGMMARLPJ-UHFFFAOYSA-N 2 2 360.448 4.384 20 0 FIADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccc(Cl)cc2)cc1 ZINC000519615943 1103633921 /nfs/dbraw/zinc/63/39/21/1103633921.db2.gz SZAGQXBGFCXSDT-XLIONFOSSA-N 2 2 355.844 4.439 20 0 FIADLP O=C(CC[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)Nc1cccc(Cl)c1 ZINC000519791420 1103855662 /nfs/dbraw/zinc/85/56/62/1103855662.db2.gz KIIJGDOPASDSGF-HXUWFJFHSA-N 2 2 371.912 4.095 20 0 FIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ncc(C(F)(F)F)cc1Cl ZINC000924645326 1103965303 /nfs/dbraw/zinc/96/53/03/1103965303.db2.gz IGCRQRNPFVYWGJ-NSHDSACASA-N 2 2 372.822 4.180 20 0 FIADLP Clc1ccc(-c2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)on2)cc1 ZINC000441432184 1104623280 /nfs/dbraw/zinc/62/32/80/1104623280.db2.gz CWRIQSIPMHCSPH-INIZCTEOSA-N 2 2 359.901 4.303 20 0 FIADLP Clc1ccc(-c2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)on2)cc1 ZINC000441432184 1104623281 /nfs/dbraw/zinc/62/32/81/1104623281.db2.gz CWRIQSIPMHCSPH-INIZCTEOSA-N 2 2 359.901 4.303 20 0 FIADLP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000536303075 1104637812 /nfs/dbraw/zinc/63/78/12/1104637812.db2.gz UYQWVYWYYFQELB-OAHLLOKOSA-N 2 2 364.262 4.062 20 0 FIADLP CC[NH+](CC)CCOC1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000536387930 1104876712 /nfs/dbraw/zinc/87/67/12/1104876712.db2.gz TZAKLQOPBNNOSU-UHFFFAOYSA-N 2 2 362.562 4.051 20 0 FIADLP CCCOc1ccc(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)c(C)c1 ZINC000473993096 1104959378 /nfs/dbraw/zinc/95/93/78/1104959378.db2.gz USLJSJBPQCZDSQ-UHFFFAOYSA-N 2 2 373.566 4.297 20 0 FIADLP CCCOc1ccc(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)c(C)c1 ZINC000473993096 1104959381 /nfs/dbraw/zinc/95/93/81/1104959381.db2.gz USLJSJBPQCZDSQ-UHFFFAOYSA-N 2 2 373.566 4.297 20 0 FIADLP C[C@@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1cccc(Cl)c1 ZINC000189825138 1105095547 /nfs/dbraw/zinc/09/55/47/1105095547.db2.gz UKEIKBGCYWYYSP-SFHVURJKSA-N 2 2 371.956 4.477 20 0 FIADLP C[C@@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1cccc(Cl)c1 ZINC000189825138 1105095553 /nfs/dbraw/zinc/09/55/53/1105095553.db2.gz UKEIKBGCYWYYSP-SFHVURJKSA-N 2 2 371.956 4.477 20 0 FIADLP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000507994575 1105291437 /nfs/dbraw/zinc/29/14/37/1105291437.db2.gz HUUUFWLEEJUMHS-UHFFFAOYSA-N 2 2 363.299 4.235 20 0 FIADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000427850610 1105295542 /nfs/dbraw/zinc/29/55/42/1105295542.db2.gz IOSDICRUVBBBPW-FDDCHVKYSA-N 2 2 365.521 4.350 20 0 FIADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000427850610 1105295544 /nfs/dbraw/zinc/29/55/44/1105295544.db2.gz IOSDICRUVBBBPW-FDDCHVKYSA-N 2 2 365.521 4.350 20 0 FIADLP c1cn2c([nH+]1)C[C@H]([NH2+]C(CCc1ccccc1)CCc1ccccc1)CC2 ZINC000427874432 1105299120 /nfs/dbraw/zinc/29/91/20/1105299120.db2.gz IMCQZLHNSVECMJ-HSZRJFAPSA-N 2 2 359.517 4.422 20 0 FIADLP Fc1ccccc1-c1nc2c(s1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000427876923 1105299680 /nfs/dbraw/zinc/29/96/80/1105299680.db2.gz RYJNIRPUHCCSMN-BBRMVZONSA-N 2 2 368.481 4.128 20 0 FIADLP Clc1ccc(C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427866200 1105303219 /nfs/dbraw/zinc/30/32/19/1105303219.db2.gz KIYFZZFYJJTIFS-UXHICEINSA-N 2 2 351.881 4.425 20 0 FIADLP Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CCn4cc[nH+]c4C2)CCC3)cc1 ZINC000427900205 1105307241 /nfs/dbraw/zinc/30/72/41/1105307241.db2.gz YILMHWXQKDTATR-HOTGVXAUSA-N 2 2 368.481 4.128 20 0 FIADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(OC)cc1 ZINC000390648381 1106736970 /nfs/dbraw/zinc/73/69/70/1106736970.db2.gz IWDFIQIEAYUFNV-XZOQPEGZSA-N 2 2 368.521 4.027 20 0 FIADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(OC)cc1 ZINC000390648381 1106736982 /nfs/dbraw/zinc/73/69/82/1106736982.db2.gz IWDFIQIEAYUFNV-XZOQPEGZSA-N 2 2 368.521 4.027 20 0 FIADLP CSc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000475353986 1106750294 /nfs/dbraw/zinc/75/02/94/1106750294.db2.gz HBHKOYRPWRHLHN-UHFFFAOYSA-N 2 2 358.473 4.303 20 0 FIADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CS1 ZINC000475357870 1106757934 /nfs/dbraw/zinc/75/79/34/1106757934.db2.gz ZCFKVZQLFAFTLH-KNIAUWFNSA-N 2 2 364.521 4.302 20 0 FIADLP Cc1nc2c(s1)C[N@H+](C1C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001168064691 1106874352 /nfs/dbraw/zinc/87/43/52/1106874352.db2.gz RIQASTGCZXFDCW-HZPDHXFCSA-N 2 2 355.551 4.251 20 0 FIADLP Cc1nc2c(s1)C[N@@H+](C1C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001168064691 1106874370 /nfs/dbraw/zinc/87/43/70/1106874370.db2.gz RIQASTGCZXFDCW-HZPDHXFCSA-N 2 2 355.551 4.251 20 0 FIADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H]3CC[NH2+]C34CCC4)s2)cc1 ZINC000530224165 1106914680 /nfs/dbraw/zinc/91/46/80/1106914680.db2.gz VACVVRHVHPYKBW-GUYCJALGSA-N 2 2 357.523 4.062 20 0 FIADLP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000301316054 1106989891 /nfs/dbraw/zinc/98/98/91/1106989891.db2.gz NADFZEFDLOFWLR-SFHVURJKSA-N 2 2 365.525 4.104 20 0 FIADLP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000301316054 1106989897 /nfs/dbraw/zinc/98/98/97/1106989897.db2.gz NADFZEFDLOFWLR-SFHVURJKSA-N 2 2 365.525 4.104 20 0 FIADLP Cc1[nH+]ccn1CCCCNc1cc[nH+]c2c(Br)cccc12 ZINC000301436385 1107029375 /nfs/dbraw/zinc/02/93/75/1107029375.db2.gz SFJJOSUOJSSLFK-UHFFFAOYSA-N 2 2 359.271 4.395 20 0 FIADLP Cc1[nH+]ccn1CCCN(C)c1cc[nH+]c2ccc(Br)cc21 ZINC000301768895 1107143861 /nfs/dbraw/zinc/14/38/61/1107143861.db2.gz IYXILVRSBKWERQ-UHFFFAOYSA-N 2 2 359.271 4.029 20 0 FIADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475553400 1107723312 /nfs/dbraw/zinc/72/33/12/1107723312.db2.gz UTDRZIQBBKGPIY-UHFFFAOYSA-N 2 2 366.553 4.276 20 0 FIADLP CCCCCOc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1OC ZINC000475581096 1107800350 /nfs/dbraw/zinc/80/03/50/1107800350.db2.gz DRDMKMFQFBCRNK-UHFFFAOYSA-N 2 2 360.542 4.371 20 0 FIADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc4ccccc4n3)CC2)cc1 ZINC000531693281 1108095760 /nfs/dbraw/zinc/09/57/60/1108095760.db2.gz BVCRVZCNMKPIDI-UHFFFAOYSA-N 2 2 363.480 4.171 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1)CCC2 ZINC000453113225 1108181156 /nfs/dbraw/zinc/18/11/56/1108181156.db2.gz DYXWIHZNNXHKPL-SXLOBPIMSA-N 2 2 373.928 4.102 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ncc(-c2ccccc2)n1C ZINC000453125206 1108193321 /nfs/dbraw/zinc/19/33/21/1108193321.db2.gz PELFISKDEAHHFU-INIZCTEOSA-N 2 2 366.484 4.139 20 0 FIADLP CCc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)o1 ZINC000453231070 1108306069 /nfs/dbraw/zinc/30/60/69/1108306069.db2.gz GQZMJCWHRBPELH-AQNXPRMDSA-N 2 2 353.510 4.078 20 0 FIADLP CCc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)o1 ZINC000453231070 1108306084 /nfs/dbraw/zinc/30/60/84/1108306084.db2.gz GQZMJCWHRBPELH-AQNXPRMDSA-N 2 2 353.510 4.078 20 0 FIADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000453263036 1108337432 /nfs/dbraw/zinc/33/74/32/1108337432.db2.gz YJVAKJLDRWHCLO-ZBFHGGJFSA-N 2 2 360.299 4.087 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000453336958 1108432400 /nfs/dbraw/zinc/43/24/00/1108432400.db2.gz ZDVMNXWCLCNBSV-MRXNPFEDSA-N 2 2 369.484 4.099 20 0 FIADLP c1ccc([C@@H](CC2CC2)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000531956128 1108445559 /nfs/dbraw/zinc/44/55/59/1108445559.db2.gz ZLNXWYIYHJGIBH-HSZRJFAPSA-N 2 2 350.506 4.150 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)[C@H](C)C1 ZINC000532195176 1108702675 /nfs/dbraw/zinc/70/26/75/1108702675.db2.gz GMFAOILGXVUSAP-ZBFHGGJFSA-N 2 2 355.507 4.376 20 0 FIADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)[C@H](C)C1 ZINC000532195176 1108702688 /nfs/dbraw/zinc/70/26/88/1108702688.db2.gz GMFAOILGXVUSAP-ZBFHGGJFSA-N 2 2 355.507 4.376 20 0 FIADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000525267406 1109324467 /nfs/dbraw/zinc/32/44/67/1109324467.db2.gz NUKXIIGCCXJROT-DOTOQJQBSA-N 2 2 370.368 4.155 20 0 FIADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000525267406 1109324473 /nfs/dbraw/zinc/32/44/73/1109324473.db2.gz NUKXIIGCCXJROT-DOTOQJQBSA-N 2 2 370.368 4.155 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Br)cc1F ZINC000446835045 1109355761 /nfs/dbraw/zinc/35/57/61/1109355761.db2.gz JOZNSKITFQSPOH-LBPRGKRZSA-N 2 2 355.295 4.256 20 0 FIADLP CCCOc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c(OCCC)c1 ZINC000525696433 1109480842 /nfs/dbraw/zinc/48/08/42/1109480842.db2.gz UBIMTGDXISPZNN-LJQANCHMSA-N 2 2 371.525 4.436 20 0 FIADLP CC[NH+](CC)Cc1nc(C2([NH2+]CC[C@@H](C)c3ccccc3)CCCC2)no1 ZINC000447821686 1109648225 /nfs/dbraw/zinc/64/82/25/1109648225.db2.gz MXMLRMPVUQHLQL-GOSISDBHSA-N 2 2 370.541 4.464 20 0 FIADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000448022552 1109696223 /nfs/dbraw/zinc/69/62/23/1109696223.db2.gz OOWPQMVTUVPFAU-MQSCRBSSSA-N 2 2 366.553 4.091 20 0 FIADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000448022552 1109696227 /nfs/dbraw/zinc/69/62/27/1109696227.db2.gz OOWPQMVTUVPFAU-MQSCRBSSSA-N 2 2 366.553 4.091 20 0 FIADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000448022553 1109696465 /nfs/dbraw/zinc/69/64/65/1109696465.db2.gz OOWPQMVTUVPFAU-XPNTWCBSSA-N 2 2 366.553 4.091 20 0 FIADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000448022553 1109696469 /nfs/dbraw/zinc/69/64/69/1109696469.db2.gz OOWPQMVTUVPFAU-XPNTWCBSSA-N 2 2 366.553 4.091 20 0 FIADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000448022550 1109696580 /nfs/dbraw/zinc/69/65/80/1109696580.db2.gz OOWPQMVTUVPFAU-FUPPJEDESA-N 2 2 366.553 4.091 20 0 FIADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000448022550 1109696584 /nfs/dbraw/zinc/69/65/84/1109696584.db2.gz OOWPQMVTUVPFAU-FUPPJEDESA-N 2 2 366.553 4.091 20 0 FIADLP C[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000527197876 1109717746 /nfs/dbraw/zinc/71/77/46/1109717746.db2.gz CFOMYIXMMIKLFO-HNNXBMFYSA-N 2 2 363.427 4.463 20 0 FIADLP C[NH+](C)Cc1cc(C[NH2+]Cc2ccsc2Br)ccc1F ZINC000527663380 1109797977 /nfs/dbraw/zinc/79/79/77/1109797977.db2.gz ZUZBKFKYXYKNHC-UHFFFAOYSA-N 2 2 357.292 4.001 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(F)c(Br)cc1F ZINC000527854433 1109839208 /nfs/dbraw/zinc/83/92/08/1109839208.db2.gz SJWQEPSZJKDYAL-NSHDSACASA-N 2 2 373.285 4.395 20 0 FIADLP Cc1nc(C[NH+]2CCC(CNc3[nH+]ccc4ccccc43)CC2)oc1C ZINC000527892763 1109851511 /nfs/dbraw/zinc/85/15/11/1109851511.db2.gz OQUXOFLECAEYAE-UHFFFAOYSA-N 2 2 350.466 4.164 20 0 FIADLP COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000527973856 1109872338 /nfs/dbraw/zinc/87/23/38/1109872338.db2.gz UYFRHEOSNVBFDD-HOTGVXAUSA-N 2 2 351.450 4.301 20 0 FIADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528011465 1109885350 /nfs/dbraw/zinc/88/53/50/1109885350.db2.gz LJDLWKYTZCRYBT-UWJYYQICSA-N 2 2 372.557 4.228 20 0 FIADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528011465 1109885353 /nfs/dbraw/zinc/88/53/53/1109885353.db2.gz LJDLWKYTZCRYBT-UWJYYQICSA-N 2 2 372.557 4.228 20 0 FIADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449019423 1109955629 /nfs/dbraw/zinc/95/56/29/1109955629.db2.gz WHRCENYFYCTYGI-UHFFFAOYSA-N 2 2 365.493 4.395 20 0 FIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449019423 1109955633 /nfs/dbraw/zinc/95/56/33/1109955633.db2.gz WHRCENYFYCTYGI-UHFFFAOYSA-N 2 2 365.493 4.395 20 0 FIADLP Fc1ccccc1-c1ncc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000449026480 1109959450 /nfs/dbraw/zinc/95/94/50/1109959450.db2.gz FTNGMQASQFTRAH-MRXNPFEDSA-N 2 2 359.514 4.257 20 0 FIADLP Fc1ccccc1-c1ncc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000449026480 1109959451 /nfs/dbraw/zinc/95/94/51/1109959451.db2.gz FTNGMQASQFTRAH-MRXNPFEDSA-N 2 2 359.514 4.257 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(CCc3ccccc3)s2)C[C@@H]1C ZINC000449029994 1109959958 /nfs/dbraw/zinc/95/99/58/1109959958.db2.gz QGNMZMUOJHHIKG-HKUYNNGSSA-N 2 2 357.567 4.233 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(CCc3ccccc3)s2)C[C@@H]1C ZINC000449029994 1109959960 /nfs/dbraw/zinc/95/99/60/1109959960.db2.gz QGNMZMUOJHHIKG-HKUYNNGSSA-N 2 2 357.567 4.233 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(CCc3ccccc3)s2)C[C@@H]1C ZINC000449029994 1109959963 /nfs/dbraw/zinc/95/99/63/1109959963.db2.gz QGNMZMUOJHHIKG-HKUYNNGSSA-N 2 2 357.567 4.233 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(CCc3ccccc3)s2)C[C@@H]1C ZINC000449029994 1109959964 /nfs/dbraw/zinc/95/99/64/1109959964.db2.gz QGNMZMUOJHHIKG-HKUYNNGSSA-N 2 2 357.567 4.233 20 0 FIADLP Cc1cccc(CC[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1 ZINC000449159373 1109987090 /nfs/dbraw/zinc/98/70/90/1109987090.db2.gz ZNGLGHOSJYVLSU-HXUWFJFHSA-N 2 2 352.522 4.027 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc(-c3c(F)cccc3F)s1)CCC2 ZINC000449166903 1109990802 /nfs/dbraw/zinc/99/08/02/1109990802.db2.gz GXEKMQUEKTXMQT-ZDUSSCGKSA-N 2 2 374.460 4.260 20 0 FIADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000449185838 1109994529 /nfs/dbraw/zinc/99/45/29/1109994529.db2.gz OCPWIHJPHDOWCL-FQEVSTJZSA-N 3 2 369.597 4.079 20 0 FIADLP C[C@H](C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1cc(F)cc(F)c1 ZINC000449265214 1110019076 /nfs/dbraw/zinc/01/90/76/1110019076.db2.gz RBHLVBWUPQITKK-KUDFPVQQSA-N 2 2 359.464 4.088 20 0 FIADLP C[C@H](C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1cc(F)cc(F)c1 ZINC000449265214 1110019078 /nfs/dbraw/zinc/01/90/78/1110019078.db2.gz RBHLVBWUPQITKK-KUDFPVQQSA-N 2 2 359.464 4.088 20 0 FIADLP C[C@H](C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1cc(F)cc(F)c1 ZINC000449265214 1110019080 /nfs/dbraw/zinc/01/90/80/1110019080.db2.gz RBHLVBWUPQITKK-KUDFPVQQSA-N 2 2 359.464 4.088 20 0 FIADLP C[C@H](C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1cc(F)cc(F)c1 ZINC000449265214 1110019082 /nfs/dbraw/zinc/01/90/82/1110019082.db2.gz RBHLVBWUPQITKK-KUDFPVQQSA-N 2 2 359.464 4.088 20 0 FIADLP COC[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Cl)cc1 ZINC000449476506 1110084205 /nfs/dbraw/zinc/08/42/05/1110084205.db2.gz GNDHASOVYSMBTK-HNNXBMFYSA-N 2 2 361.898 4.107 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC(C)(C)C3)CC2)cc1 ZINC000449523061 1110099014 /nfs/dbraw/zinc/09/90/14/1110099014.db2.gz KRXUIMAMZOBBOR-OAQYLSRUSA-N 2 2 357.542 4.168 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C3CCC(C)(C)CC3)CC2)cc1 ZINC000449525457 1110099367 /nfs/dbraw/zinc/09/93/67/1110099367.db2.gz SIFPECUOLOQFHA-UHFFFAOYSA-N 2 2 357.542 4.168 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H](C)CC(C)(C)C3)CC2)cc1 ZINC000449526857 1110099924 /nfs/dbraw/zinc/09/99/24/1110099924.db2.gz YAJHBPQZSFEENI-HTAPYJJXSA-N 2 2 371.569 4.414 20 0 FIADLP CC(C)(C)[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1Br ZINC000538350640 1111106632 /nfs/dbraw/zinc/10/66/32/1111106632.db2.gz NNNYLJVELUJUTQ-UHFFFAOYSA-N 2 2 350.304 4.336 20 0 FIADLP CC(C)(C)[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1Br ZINC000538350640 1111106633 /nfs/dbraw/zinc/10/66/33/1111106633.db2.gz NNNYLJVELUJUTQ-UHFFFAOYSA-N 2 2 350.304 4.336 20 0 FIADLP FC(F)Oc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000538799340 1111295357 /nfs/dbraw/zinc/29/53/57/1111295357.db2.gz ZXSBBEVLDQWTFO-RHSMWYFYSA-N 2 2 370.871 4.390 20 0 FIADLP FC(F)Oc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000538799340 1111295359 /nfs/dbraw/zinc/29/53/59/1111295359.db2.gz ZXSBBEVLDQWTFO-RHSMWYFYSA-N 2 2 370.871 4.390 20 0 FIADLP FC(F)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000538799340 1111295361 /nfs/dbraw/zinc/29/53/61/1111295361.db2.gz ZXSBBEVLDQWTFO-RHSMWYFYSA-N 2 2 370.871 4.390 20 0 FIADLP FC(F)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000538799340 1111295363 /nfs/dbraw/zinc/29/53/63/1111295363.db2.gz ZXSBBEVLDQWTFO-RHSMWYFYSA-N 2 2 370.871 4.390 20 0 FIADLP COCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000539068313 1111417488 /nfs/dbraw/zinc/41/74/88/1111417488.db2.gz PIYMZHIBOSGGBY-OAQYLSRUSA-N 2 2 358.913 4.130 20 0 FIADLP c1c[nH]c([C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C2CCCCC2)n1 ZINC000552055241 1111560037 /nfs/dbraw/zinc/56/00/37/1111560037.db2.gz FQFNNOILXOBMCX-TZIWHRDSSA-N 2 2 352.526 4.143 20 0 FIADLP c1c[nH]c([C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CCCCC2)n1 ZINC000552055241 1111560041 /nfs/dbraw/zinc/56/00/41/1111560041.db2.gz FQFNNOILXOBMCX-TZIWHRDSSA-N 2 2 352.526 4.143 20 0 FIADLP Fc1cccnc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552056511 1111560078 /nfs/dbraw/zinc/56/00/78/1111560078.db2.gz GCRFVSUNHJBTGW-SVFBPWRDSA-N 2 2 353.485 4.001 20 0 FIADLP Fc1cccnc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552056511 1111560080 /nfs/dbraw/zinc/56/00/80/1111560080.db2.gz GCRFVSUNHJBTGW-SVFBPWRDSA-N 2 2 353.485 4.001 20 0 FIADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1Cl ZINC000478038441 1111650716 /nfs/dbraw/zinc/65/07/16/1111650716.db2.gz CWOXFIRVKOITSB-FQEVSTJZSA-N 2 2 371.912 4.005 20 0 FIADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000552497375 1111723945 /nfs/dbraw/zinc/72/39/45/1111723945.db2.gz IOMOORADZOXTNE-MAUKXSAKSA-N 2 2 350.453 4.045 20 0 FIADLP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000552497375 1111723947 /nfs/dbraw/zinc/72/39/47/1111723947.db2.gz IOMOORADZOXTNE-MAUKXSAKSA-N 2 2 350.453 4.045 20 0 FIADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000552497375 1111723952 /nfs/dbraw/zinc/72/39/52/1111723952.db2.gz IOMOORADZOXTNE-MAUKXSAKSA-N 2 2 350.453 4.045 20 0 FIADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000552497375 1111723959 /nfs/dbraw/zinc/72/39/59/1111723959.db2.gz IOMOORADZOXTNE-MAUKXSAKSA-N 2 2 350.453 4.045 20 0 FIADLP CCC(CC)(C[NH2+][C@@H]1CCCc2nn(C)cc21)[NH2+][C@@H](C)c1ccccc1 ZINC000479057298 1111938405 /nfs/dbraw/zinc/93/84/05/1111938405.db2.gz HUSJKUJEQAKIGJ-FXAWDEMLSA-N 2 2 354.542 4.297 20 0 FIADLP Fc1cccc2c1CC[C@@H]2[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479505924 1112049450 /nfs/dbraw/zinc/04/94/50/1112049450.db2.gz SWTVUZKUYIWZCU-JRSKDTKFSA-N 2 2 356.407 4.208 20 0 FIADLP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479509170 1112054104 /nfs/dbraw/zinc/05/41/04/1112054104.db2.gz BDXQCTWHVKLLLE-WTNGLUPJSA-N 2 2 367.306 4.182 20 0 FIADLP Brc1ccc2oc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2c1 ZINC000667563658 1112163887 /nfs/dbraw/zinc/16/38/87/1112163887.db2.gz LUIVYBMSOAURNL-UHFFFAOYSA-N 2 2 360.255 4.229 20 0 FIADLP C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000554076736 1112193368 /nfs/dbraw/zinc/19/33/68/1112193368.db2.gz ISAYFUHWGLHIIC-QRWLVFNGSA-N 2 2 355.869 4.300 20 0 FIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000480080459 1112264949 /nfs/dbraw/zinc/26/49/49/1112264949.db2.gz GPTDFCOFGILLEM-UKRRQHHQSA-N 2 2 355.345 4.060 20 0 FIADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000480080459 1112264951 /nfs/dbraw/zinc/26/49/51/1112264951.db2.gz GPTDFCOFGILLEM-UKRRQHHQSA-N 2 2 355.345 4.060 20 0 FIADLP C[C@H](CCCC(F)(F)F)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000480265914 1112352891 /nfs/dbraw/zinc/35/28/91/1112352891.db2.gz YRJGBMCWZAHYFG-OAHLLOKOSA-N 2 2 352.510 4.449 20 0 FIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000480529120 1112470588 /nfs/dbraw/zinc/47/05/88/1112470588.db2.gz SQUZKZFYQKUHCL-LJQANCHMSA-N 2 2 371.488 4.010 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3ccccc3F)nc2)C[C@@H]1C ZINC000480557398 1112477078 /nfs/dbraw/zinc/47/70/78/1112477078.db2.gz RYKUMGGRFPCYOU-PXNSSMCTSA-N 2 2 371.500 4.104 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3ccccc3F)nc2)C[C@@H]1C ZINC000480557398 1112477080 /nfs/dbraw/zinc/47/70/80/1112477080.db2.gz RYKUMGGRFPCYOU-PXNSSMCTSA-N 2 2 371.500 4.104 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCc3ccccc3F)nc2)C[C@@H]1C ZINC000480557398 1112477083 /nfs/dbraw/zinc/47/70/83/1112477083.db2.gz RYKUMGGRFPCYOU-PXNSSMCTSA-N 2 2 371.500 4.104 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCc3ccccc3F)nc2)C[C@@H]1C ZINC000480557398 1112477085 /nfs/dbraw/zinc/47/70/85/1112477085.db2.gz RYKUMGGRFPCYOU-PXNSSMCTSA-N 2 2 371.500 4.104 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480703539 1112554332 /nfs/dbraw/zinc/55/43/32/1112554332.db2.gz AZSBRCBALCZGNZ-SFHVURJKSA-N 2 2 361.493 4.108 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(Br)ccc1F ZINC000480759160 1112589385 /nfs/dbraw/zinc/58/93/85/1112589385.db2.gz GAYQVZQDFGLEMN-GFCCVEGCSA-N 2 2 366.278 4.014 20 0 FIADLP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H](C)Cn2cc[nH+]c2)CCC3)cc1 ZINC000480770365 1112597724 /nfs/dbraw/zinc/59/77/24/1112597724.db2.gz RGFNHZIEEGXXQZ-PBHICJAKSA-N 2 2 368.506 4.071 20 0 FIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000480777877 1112600398 /nfs/dbraw/zinc/60/03/98/1112600398.db2.gz JKJVSFXOSHNDQV-IRXDYDNUSA-N 2 2 353.441 4.341 20 0 FIADLP CCc1ccc([C@H](CC)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000481323669 1112900091 /nfs/dbraw/zinc/90/00/91/1112900091.db2.gz PBNJUQVJOSDVJV-QHCPKHFHSA-N 2 2 352.522 4.322 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000482122637 1113182429 /nfs/dbraw/zinc/18/24/29/1113182429.db2.gz TYKMITXLTJBROY-HOTGVXAUSA-N 2 2 362.514 4.459 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(F)c1 ZINC000482122637 1113182431 /nfs/dbraw/zinc/18/24/31/1113182431.db2.gz TYKMITXLTJBROY-HOTGVXAUSA-N 2 2 362.514 4.459 20 0 FIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)c1ccccc1 ZINC000482452713 1113264072 /nfs/dbraw/zinc/26/40/72/1113264072.db2.gz UHBSIZSCPYXXCA-MBSDFSHPSA-N 2 2 368.521 4.077 20 0 FIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)c1ccccc1 ZINC000482452713 1113264074 /nfs/dbraw/zinc/26/40/74/1113264074.db2.gz UHBSIZSCPYXXCA-MBSDFSHPSA-N 2 2 368.521 4.077 20 0 FIADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@](C)(c4ccc(F)cc4)C3)sc2C1 ZINC000482595338 1113306916 /nfs/dbraw/zinc/30/69/16/1113306916.db2.gz ZHLXEDYIXXHHAN-NRFANRHFSA-N 2 2 373.541 4.212 20 0 FIADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@](C)(c4ccc(F)cc4)C3)sc2C1 ZINC000482595338 1113306920 /nfs/dbraw/zinc/30/69/20/1113306920.db2.gz ZHLXEDYIXXHHAN-NRFANRHFSA-N 2 2 373.541 4.212 20 0 FIADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@](C)(c4ccc(F)cc4)C3)sc2C1 ZINC000482595338 1113306921 /nfs/dbraw/zinc/30/69/21/1113306921.db2.gz ZHLXEDYIXXHHAN-NRFANRHFSA-N 2 2 373.541 4.212 20 0 FIADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@](C)(c4ccc(F)cc4)C3)sc2C1 ZINC000482595338 1113306927 /nfs/dbraw/zinc/30/69/27/1113306927.db2.gz ZHLXEDYIXXHHAN-NRFANRHFSA-N 2 2 373.541 4.212 20 0 FIADLP C[C@@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000482690503 1113331927 /nfs/dbraw/zinc/33/19/27/1113331927.db2.gz OQBWSEMVYPIQCE-HNNXBMFYSA-N 2 2 374.529 4.213 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000668576220 1113488408 /nfs/dbraw/zinc/48/84/08/1113488408.db2.gz XTLZJRFHTUGKPR-FQEVSTJZSA-N 2 2 365.525 4.062 20 0 FIADLP C[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486514874 1113585582 /nfs/dbraw/zinc/58/55/82/1113585582.db2.gz FKAZJYGKBUNHNM-AEFFLSMTSA-N 2 2 367.518 4.403 20 0 FIADLP C[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486514874 1113585585 /nfs/dbraw/zinc/58/55/85/1113585585.db2.gz FKAZJYGKBUNHNM-AEFFLSMTSA-N 2 2 367.518 4.403 20 0 FIADLP C[C@@H]([NH2+]Cc1nc2c(s1)C[C@H](C)CC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486561859 1113595268 /nfs/dbraw/zinc/59/52/68/1113595268.db2.gz GUKYESCTHJTKTD-ZHALLVOQSA-N 2 2 369.578 4.268 20 0 FIADLP C[C@@H]([NH2+]Cc1nc2c(s1)C[C@H](C)CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486561859 1113595270 /nfs/dbraw/zinc/59/52/70/1113595270.db2.gz GUKYESCTHJTKTD-ZHALLVOQSA-N 2 2 369.578 4.268 20 0 FIADLP CC[N@H+](CCCc1cccc(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000490028170 1114204201 /nfs/dbraw/zinc/20/42/01/1114204201.db2.gz GEZSLAGYFHBHEW-UHFFFAOYSA-N 2 2 355.501 4.392 20 0 FIADLP CC[N@@H+](CCCc1cccc(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000490028170 1114204205 /nfs/dbraw/zinc/20/42/05/1114204205.db2.gz GEZSLAGYFHBHEW-UHFFFAOYSA-N 2 2 355.501 4.392 20 0 FIADLP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccccc1F ZINC000490124036 1114220869 /nfs/dbraw/zinc/22/08/69/1114220869.db2.gz IBXYDEBPPYGBJI-QHCPKHFHSA-N 2 2 369.528 4.204 20 0 FIADLP COc1ccc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc2)cc1 ZINC000490130023 1114221990 /nfs/dbraw/zinc/22/19/90/1114221990.db2.gz ITUABRAQDMHSSN-HSZRJFAPSA-N 2 2 361.489 4.150 20 0 FIADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490958171 1114358559 /nfs/dbraw/zinc/35/85/59/1114358559.db2.gz GZJMUHGTPJXPJX-ZRGWGRIASA-N 2 2 370.368 4.012 20 0 FIADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490958171 1114358561 /nfs/dbraw/zinc/35/85/61/1114358561.db2.gz GZJMUHGTPJXPJX-ZRGWGRIASA-N 2 2 370.368 4.012 20 0 FIADLP Brc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ncccc12 ZINC000491114590 1114371700 /nfs/dbraw/zinc/37/17/00/1114371700.db2.gz VYEZSSOYQVVQDJ-AWEZNQCLSA-N 2 2 371.282 4.100 20 0 FIADLP C[C@@H]1C[C@@H](C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000509446295 1114528542 /nfs/dbraw/zinc/52/85/42/1114528542.db2.gz HPVTYPLXKAVYTR-BKXMBWNOSA-N 2 2 364.533 4.059 20 0 FIADLP C[C@@H]1C[C@@H](C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000509446295 1114528546 /nfs/dbraw/zinc/52/85/46/1114528546.db2.gz HPVTYPLXKAVYTR-BKXMBWNOSA-N 2 2 364.533 4.059 20 0 FIADLP COc1cc(-c2ccccc2)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000572286674 1114633261 /nfs/dbraw/zinc/63/32/61/1114633261.db2.gz VGWNLOMOUYPEMH-CBQGHPETSA-N 2 2 350.506 4.419 20 0 FIADLP COc1cc(-c2ccccc2)ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000572286674 1114633265 /nfs/dbraw/zinc/63/32/65/1114633265.db2.gz VGWNLOMOUYPEMH-CBQGHPETSA-N 2 2 350.506 4.419 20 0 FIADLP COc1cc(-c2ccccc2)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000572286674 1114633266 /nfs/dbraw/zinc/63/32/66/1114633266.db2.gz VGWNLOMOUYPEMH-CBQGHPETSA-N 2 2 350.506 4.419 20 0 FIADLP COc1cc(-c2ccccc2)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000572286674 1114633269 /nfs/dbraw/zinc/63/32/69/1114633269.db2.gz VGWNLOMOUYPEMH-CBQGHPETSA-N 2 2 350.506 4.419 20 0 FIADLP CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccccc21 ZINC000593691160 1115342500 /nfs/dbraw/zinc/34/25/00/1115342500.db2.gz ORMWKFRAPRRQOF-PMACEKPBSA-N 2 2 372.553 4.409 20 0 FIADLP C[C@@H]1C[N@H+](Cc2cccc(CNc3cc[nH+]c4ccsc43)c2)CCO1 ZINC000574803631 1115496291 /nfs/dbraw/zinc/49/62/91/1115496291.db2.gz VGICNFLRFQIMNM-OAHLLOKOSA-N 2 2 353.491 4.129 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2cccc(CNc3cc[nH+]c4ccsc43)c2)CCO1 ZINC000574803631 1115496294 /nfs/dbraw/zinc/49/62/94/1115496294.db2.gz VGICNFLRFQIMNM-OAHLLOKOSA-N 2 2 353.491 4.129 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)c1ccccc1 ZINC000669700359 1115819036 /nfs/dbraw/zinc/81/90/36/1115819036.db2.gz WWUVATYVBIEGBZ-NNWRFLSQSA-N 2 2 360.505 4.415 20 0 FIADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000061558290 1115863414 /nfs/dbraw/zinc/86/34/14/1115863414.db2.gz UDJAELFTMOVHNM-UHFFFAOYSA-N 2 2 374.960 4.105 20 0 FIADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000062426988 1115926032 /nfs/dbraw/zinc/92/60/32/1115926032.db2.gz HTWYKADDPMPAPO-IBGZPJMESA-N 2 2 374.960 4.022 20 0 FIADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000062426988 1115926034 /nfs/dbraw/zinc/92/60/34/1115926034.db2.gz HTWYKADDPMPAPO-IBGZPJMESA-N 2 2 374.960 4.022 20 0 FIADLP C[C@H]([NH2+]C1(C[NH2+]Cc2cccc3[nH]ccc32)CCOCC1)c1ccccc1 ZINC000606913164 1115983043 /nfs/dbraw/zinc/98/30/43/1115983043.db2.gz IFBSLIBIURQESN-SFHVURJKSA-N 2 2 363.505 4.158 20 0 FIADLP C[C@H](Nc1cc[nH+]c2cc(F)ccc12)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607356435 1116022421 /nfs/dbraw/zinc/02/24/21/1116022421.db2.gz MBKONJAIROZKLV-KSFYIVLOSA-N 2 2 365.452 4.075 20 0 FIADLP C[C@H](Nc1cc[nH+]c2cc(F)ccc12)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607356435 1116022424 /nfs/dbraw/zinc/02/24/24/1116022424.db2.gz MBKONJAIROZKLV-KSFYIVLOSA-N 2 2 365.452 4.075 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1ccccc1 ZINC000608075666 1116081162 /nfs/dbraw/zinc/08/11/62/1116081162.db2.gz WGDRKSFMICVLKP-HXUWFJFHSA-N 2 2 361.489 4.207 20 0 FIADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1SC(F)(F)F ZINC000173786062 1116088968 /nfs/dbraw/zinc/08/89/68/1116088968.db2.gz UHWATMKKSGXKQN-OAHLLOKOSA-N 2 2 374.472 4.225 20 0 FIADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1SC(F)(F)F ZINC000173786062 1116088970 /nfs/dbraw/zinc/08/89/70/1116088970.db2.gz UHWATMKKSGXKQN-OAHLLOKOSA-N 2 2 374.472 4.225 20 0 FIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000509450328 1116198542 /nfs/dbraw/zinc/19/85/42/1116198542.db2.gz RHKOZHCCLREDBZ-JOCHJYFZSA-N 2 2 374.532 4.467 20 0 FIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000509452801 1116198930 /nfs/dbraw/zinc/19/89/30/1116198930.db2.gz XBZOXCAKHDXIMC-QFIPXVFZSA-N 2 2 374.532 4.467 20 0 FIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000509452801 1116198931 /nfs/dbraw/zinc/19/89/31/1116198931.db2.gz XBZOXCAKHDXIMC-QFIPXVFZSA-N 2 2 374.532 4.467 20 0 FIADLP C[N@@H+]1CC[C@@H](CNc2cc[nH+]cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534974087 1116257218 /nfs/dbraw/zinc/25/72/18/1116257218.db2.gz LMMFGHPLLQZICC-YVEFUNNKSA-N 2 2 354.256 4.054 20 0 FIADLP C[N@H+]1CC[C@@H](CNc2cc[nH+]cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534974087 1116257220 /nfs/dbraw/zinc/25/72/20/1116257220.db2.gz LMMFGHPLLQZICC-YVEFUNNKSA-N 2 2 354.256 4.054 20 0 FIADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428788748 1116343373 /nfs/dbraw/zinc/34/33/73/1116343373.db2.gz SAZVQACHSNEYKY-RDTXWAMCSA-N 2 2 367.415 4.062 20 0 FIADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428788748 1116343375 /nfs/dbraw/zinc/34/33/75/1116343375.db2.gz SAZVQACHSNEYKY-RDTXWAMCSA-N 2 2 367.415 4.062 20 0 FIADLP C[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1cccc(OCC[NH+](C)C)c1 ZINC000539626886 1116356064 /nfs/dbraw/zinc/35/60/64/1116356064.db2.gz FUULEAGDEOYTFL-GOSISDBHSA-N 2 2 368.525 4.185 20 0 FIADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1Cl ZINC000539658797 1116360895 /nfs/dbraw/zinc/36/08/95/1116360895.db2.gz HVDQUAOYAYFAMN-CZUORRHYSA-N 2 2 362.880 4.188 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)C)[C@@H](C)C1 ZINC000539817815 1116384716 /nfs/dbraw/zinc/38/47/16/1116384716.db2.gz COIWNRNIDFXPHP-RXVVDRJESA-N 2 2 354.542 4.158 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)C)[C@@H](C)C1 ZINC000539817815 1116384718 /nfs/dbraw/zinc/38/47/18/1116384718.db2.gz COIWNRNIDFXPHP-RXVVDRJESA-N 2 2 354.542 4.158 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)[C@@H](C)C1 ZINC000539817815 1116384720 /nfs/dbraw/zinc/38/47/20/1116384720.db2.gz COIWNRNIDFXPHP-RXVVDRJESA-N 2 2 354.542 4.158 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)[C@@H](C)C1 ZINC000539817815 1116384722 /nfs/dbraw/zinc/38/47/22/1116384722.db2.gz COIWNRNIDFXPHP-RXVVDRJESA-N 2 2 354.542 4.158 20 0 FIADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OCC(C)C ZINC000539818415 1116384758 /nfs/dbraw/zinc/38/47/58/1116384758.db2.gz YLXADZWJIPOAFD-HXUWFJFHSA-N 2 2 360.542 4.180 20 0 FIADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OCC(C)C ZINC000539818415 1116384759 /nfs/dbraw/zinc/38/47/59/1116384759.db2.gz YLXADZWJIPOAFD-HXUWFJFHSA-N 2 2 360.542 4.180 20 0 FIADLP CCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OCC ZINC000539822585 1116385721 /nfs/dbraw/zinc/38/57/21/1116385721.db2.gz ORJHWTLQWJSZCT-HXUWFJFHSA-N 2 2 360.542 4.324 20 0 FIADLP CCCOc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OCC ZINC000539822585 1116385722 /nfs/dbraw/zinc/38/57/22/1116385722.db2.gz ORJHWTLQWJSZCT-HXUWFJFHSA-N 2 2 360.542 4.324 20 0 FIADLP Clc1cc(Br)ccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000462769710 1117766254 /nfs/dbraw/zinc/76/62/54/1117766254.db2.gz UMUAJDVOEUVYKX-UHFFFAOYSA-N 2 2 368.706 4.479 20 0 FIADLP COCCCCc1ccc[nH+]c1N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462830849 1117801270 /nfs/dbraw/zinc/80/12/70/1117801270.db2.gz AYYHTYVUNJKWMP-KNQAVFIVSA-N 2 2 367.537 4.373 20 0 FIADLP COCCCCc1ccc[nH+]c1N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462830849 1117801276 /nfs/dbraw/zinc/80/12/76/1117801276.db2.gz AYYHTYVUNJKWMP-KNQAVFIVSA-N 2 2 367.537 4.373 20 0 FIADLP Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000462891070 1117830375 /nfs/dbraw/zinc/83/03/75/1117830375.db2.gz DLYVBUJLDLSFJD-STQMWFEESA-N 2 2 353.388 4.336 20 0 FIADLP Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000462891070 1117830384 /nfs/dbraw/zinc/83/03/84/1117830384.db2.gz DLYVBUJLDLSFJD-STQMWFEESA-N 2 2 353.388 4.336 20 0 FIADLP Clc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463065118 1117949193 /nfs/dbraw/zinc/94/91/93/1117949193.db2.gz OSYHXODEICQZJW-OAQYLSRUSA-N 2 2 370.924 4.460 20 0 FIADLP Fc1ccccc1CSCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000463112491 1117969085 /nfs/dbraw/zinc/96/90/85/1117969085.db2.gz VLVOBGLGKDVQAM-UHFFFAOYSA-N 2 2 364.452 4.065 20 0 FIADLP COc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C2CC2)cc1 ZINC000540300835 1117975138 /nfs/dbraw/zinc/97/51/38/1117975138.db2.gz GTESIEWRBQFSES-UWJYYQICSA-N 2 2 353.510 4.245 20 0 FIADLP Brc1cccc2c1CC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000540300984 1117975293 /nfs/dbraw/zinc/97/52/93/1117975293.db2.gz GHNZYJQANSQJIY-KRWDZBQOSA-N 2 2 360.299 4.313 20 0 FIADLP Brc1cccc2c1CC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000540300992 1117975405 /nfs/dbraw/zinc/97/54/05/1117975405.db2.gz GHNZYJQANSQJIY-QGZVFWFLSA-N 2 2 360.299 4.313 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+](C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463130734 1117978207 /nfs/dbraw/zinc/97/82/07/1117978207.db2.gz IHTPYYSHVZIRBT-URXFXBBRSA-N 3 2 365.565 4.151 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463130734 1117978208 /nfs/dbraw/zinc/97/82/08/1117978208.db2.gz IHTPYYSHVZIRBT-URXFXBBRSA-N 3 2 365.565 4.151 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463130734 1117978209 /nfs/dbraw/zinc/97/82/09/1117978209.db2.gz IHTPYYSHVZIRBT-URXFXBBRSA-N 3 2 365.565 4.151 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463130734 1117978210 /nfs/dbraw/zinc/97/82/10/1117978210.db2.gz IHTPYYSHVZIRBT-URXFXBBRSA-N 3 2 365.565 4.151 20 0 FIADLP C[C@@H]1C[C@@H](NC[C@H](c2cccc(F)c2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463137725 1117985826 /nfs/dbraw/zinc/98/58/26/1117985826.db2.gz MPAHNAJJIMJDTC-YFXJRYMSSA-N 2 2 369.528 4.071 20 0 FIADLP C[C@@H]1C[C@@H](NC[C@H](c2cccc(F)c2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463137725 1117985830 /nfs/dbraw/zinc/98/58/30/1117985830.db2.gz MPAHNAJJIMJDTC-YFXJRYMSSA-N 2 2 369.528 4.071 20 0 FIADLP COc1ccc(F)cc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463148674 1117992131 /nfs/dbraw/zinc/99/21/31/1117992131.db2.gz XMDXQWSHINMDNM-MRXNPFEDSA-N 2 2 374.475 4.331 20 0 FIADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000463263670 1118057774 /nfs/dbraw/zinc/05/77/74/1118057774.db2.gz DDMOZZNRDNMIRY-DJPFJPOOSA-N 2 2 354.469 4.292 20 0 FIADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)CC[N@H+]1Cc1ccccc1 ZINC000463263670 1118057778 /nfs/dbraw/zinc/05/77/78/1118057778.db2.gz DDMOZZNRDNMIRY-DJPFJPOOSA-N 2 2 354.469 4.292 20 0 FIADLP C[C@H]1C[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000463263601 1118058130 /nfs/dbraw/zinc/05/81/30/1118058130.db2.gz DDMOZZNRDNMIRY-CDXJDZJCSA-N 2 2 354.469 4.292 20 0 FIADLP C[C@H]1C[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)CC[N@H+]1Cc1ccccc1 ZINC000463263601 1118058134 /nfs/dbraw/zinc/05/81/34/1118058134.db2.gz DDMOZZNRDNMIRY-CDXJDZJCSA-N 2 2 354.469 4.292 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000463287544 1118084022 /nfs/dbraw/zinc/08/40/22/1118084022.db2.gz MUKUOTKJIMKEMU-WVBUVRCRSA-N 2 2 374.475 4.295 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000463287544 1118084028 /nfs/dbraw/zinc/08/40/28/1118084028.db2.gz MUKUOTKJIMKEMU-WVBUVRCRSA-N 2 2 374.475 4.295 20 0 FIADLP Clc1ccc2c(NCc3cccc(C[NH+]4CCOCC4)c3)cc[nH+]c2c1 ZINC000506869764 1118138453 /nfs/dbraw/zinc/13/84/53/1118138453.db2.gz YRIGZGPTTAKIEU-UHFFFAOYSA-N 2 2 367.880 4.333 20 0 FIADLP Fc1ccc(CC[NH+]2CCC([NH2+]C3(c4ccccc4F)CC3)CC2)cc1 ZINC000540754675 1118223101 /nfs/dbraw/zinc/22/31/01/1118223101.db2.gz XFVRJUTYHGQFLY-UHFFFAOYSA-N 2 2 356.460 4.251 20 0 FIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCSc4ccc(F)cc43)[nH+]c2)C1 ZINC000540755984 1118224639 /nfs/dbraw/zinc/22/46/39/1118224639.db2.gz AFXFIBFDZPNJOJ-AEFFLSMTSA-N 2 2 372.513 4.010 20 0 FIADLP Cc1ccc(C)c([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000540787836 1118247391 /nfs/dbraw/zinc/24/73/91/1118247391.db2.gz NNDKSKPAPGMEFE-SFHVURJKSA-N 2 2 352.526 4.402 20 0 FIADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000540982662 1118337041 /nfs/dbraw/zinc/33/70/41/1118337041.db2.gz WHDXZAVHVSXTHF-MRXNPFEDSA-N 2 2 374.960 4.342 20 0 FIADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000540982662 1118337047 /nfs/dbraw/zinc/33/70/47/1118337047.db2.gz WHDXZAVHVSXTHF-MRXNPFEDSA-N 2 2 374.960 4.342 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCCO1 ZINC000541541766 1118548280 /nfs/dbraw/zinc/54/82/80/1118548280.db2.gz HKOCZIZMTDQTOZ-FDDCHVKYSA-N 2 2 361.489 4.256 20 0 FIADLP CC[N@H+](CCCc1cccc(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806141 1118697507 /nfs/dbraw/zinc/69/75/07/1118697507.db2.gz CFMQZECTGGDDAK-UHFFFAOYSA-N 2 2 367.537 4.261 20 0 FIADLP CC[N@@H+](CCCc1cccc(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806141 1118697513 /nfs/dbraw/zinc/69/75/13/1118697513.db2.gz CFMQZECTGGDDAK-UHFFFAOYSA-N 2 2 367.537 4.261 20 0 FIADLP CC[N@@H+](Cc1cc(-c2ccco2)on1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395268 1119117395 /nfs/dbraw/zinc/11/73/95/1119117395.db2.gz BVGIAPBEUDQRTJ-UHFFFAOYSA-N 2 2 366.465 4.068 20 0 FIADLP CC[N@H+](Cc1cc(-c2ccco2)on1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395268 1119117396 /nfs/dbraw/zinc/11/73/96/1119117396.db2.gz BVGIAPBEUDQRTJ-UHFFFAOYSA-N 2 2 366.465 4.068 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(Cl)ccc1OC(F)F ZINC000178256733 1119380406 /nfs/dbraw/zinc/38/04/06/1119380406.db2.gz MPYZTBRKYCJQIV-LBPRGKRZSA-N 2 2 358.860 4.466 20 0 FIADLP c1sc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1-c1ccccc1 ZINC000312017947 1119398147 /nfs/dbraw/zinc/39/81/47/1119398147.db2.gz UJEBNJFIMUSXAZ-IBGZPJMESA-N 2 2 363.530 4.422 20 0 FIADLP c1sc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1-c1ccccc1 ZINC000312017947 1119398148 /nfs/dbraw/zinc/39/81/48/1119398148.db2.gz UJEBNJFIMUSXAZ-IBGZPJMESA-N 2 2 363.530 4.422 20 0 FIADLP COc1ccc([C@@H]([NH2+]CCCNc2cccc[nH+]2)c2ccc(F)cc2)cc1 ZINC000493249933 1119435032 /nfs/dbraw/zinc/43/50/32/1119435032.db2.gz QXMFJDSWNCJBNO-QFIPXVFZSA-N 2 2 365.452 4.411 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000542466583 1119461660 /nfs/dbraw/zinc/46/16/60/1119461660.db2.gz MZKAIYOKOIPVMO-UHFFFAOYSA-N 2 2 364.474 4.433 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000542466583 1119461661 /nfs/dbraw/zinc/46/16/61/1119461661.db2.gz MZKAIYOKOIPVMO-UHFFFAOYSA-N 2 2 364.474 4.433 20 0 FIADLP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000493889988 1119503924 /nfs/dbraw/zinc/50/39/24/1119503924.db2.gz ZUBYDTAOABYHFB-OAQYLSRUSA-N 2 2 358.913 4.282 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)CC[N@@H+]1C ZINC000184606588 1119616859 /nfs/dbraw/zinc/61/68/59/1119616859.db2.gz QKAGPNQKBAANET-KBRIMQKVSA-N 2 2 359.514 4.399 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)CC[N@H+]1C ZINC000184606588 1119616861 /nfs/dbraw/zinc/61/68/61/1119616861.db2.gz QKAGPNQKBAANET-KBRIMQKVSA-N 2 2 359.514 4.399 20 0 FIADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000542478259 1119649400 /nfs/dbraw/zinc/64/94/00/1119649400.db2.gz KEPTWBWDXVUWGD-HMFYCAOWSA-N 2 2 355.501 4.268 20 0 FIADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cs1 ZINC000186316083 1119721174 /nfs/dbraw/zinc/72/11/74/1119721174.db2.gz IUIGQFWNGXRTNB-IEBWSBKVSA-N 2 2 357.567 4.482 20 0 FIADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cs1 ZINC000186316083 1119721178 /nfs/dbraw/zinc/72/11/78/1119721178.db2.gz IUIGQFWNGXRTNB-IEBWSBKVSA-N 2 2 357.567 4.482 20 0 FIADLP Fc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2cnc3ccccc3c2)cc1 ZINC000542480054 1119822678 /nfs/dbraw/zinc/82/26/78/1119822678.db2.gz WBSGAZOGVXCLDW-JOCHJYFZSA-N 2 2 360.436 4.340 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000191893413 1120000900 /nfs/dbraw/zinc/00/09/00/1120000900.db2.gz AKXIRCPHKCTATO-UHFFFAOYSA-N 2 2 374.488 4.031 20 0 FIADLP COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000192148389 1120029217 /nfs/dbraw/zinc/02/92/17/1120029217.db2.gz BFLXJSPBGUZPSS-INIZCTEOSA-N 2 2 351.450 4.049 20 0 FIADLP Brc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CC2 ZINC000193978154 1120223964 /nfs/dbraw/zinc/22/39/64/1120223964.db2.gz CBWWWXLJSWNHOL-SFHVURJKSA-N 2 2 368.278 4.412 20 0 FIADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(c2nc(C)no2)CC1)c1ccccc1 ZINC000494914443 1120374750 /nfs/dbraw/zinc/37/47/50/1120374750.db2.gz IAHDKYXUUMLLLB-MHJFOBGBSA-N 2 2 356.514 4.077 20 0 FIADLP Fc1cc(Br)cc([C@H](CC2CC2)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000495254419 1120584445 /nfs/dbraw/zinc/58/44/45/1120584445.db2.gz XWVNUOFMHHLYBS-KRWDZBQOSA-N 2 2 366.278 4.306 20 0 FIADLP CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000026309238 1121085354 /nfs/dbraw/zinc/08/53/54/1121085354.db2.gz BTYFZMRVXVIFJP-UHFFFAOYSA-N 2 2 371.488 4.088 20 0 FIADLP C[NH+](C)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000193812001 1121127862 /nfs/dbraw/zinc/12/78/62/1121127862.db2.gz WEPRKYQNULRNDK-UHFFFAOYSA-N 2 2 360.505 4.065 20 0 FIADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(F)c1 ZINC000397985146 1121330972 /nfs/dbraw/zinc/33/09/72/1121330972.db2.gz NZJYMDREQZEPAW-HOIFWPIMSA-N 2 2 356.485 4.396 20 0 FIADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(F)c1 ZINC000397985146 1121330981 /nfs/dbraw/zinc/33/09/81/1121330981.db2.gz NZJYMDREQZEPAW-HOIFWPIMSA-N 2 2 356.485 4.396 20 0 FIADLP CCCOc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000125064774 1121744099 /nfs/dbraw/zinc/74/40/99/1121744099.db2.gz SBBXRBSPNZCQKP-UHFFFAOYSA-N 2 2 367.537 4.009 20 0 FIADLP CCCOc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000125064774 1121744108 /nfs/dbraw/zinc/74/41/08/1121744108.db2.gz SBBXRBSPNZCQKP-UHFFFAOYSA-N 2 2 367.537 4.009 20 0 FIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Br)cc1F ZINC000125844251 1121850235 /nfs/dbraw/zinc/85/02/35/1121850235.db2.gz NSWBBTNUEJLEGB-LBPRGKRZSA-N 2 2 366.278 4.014 20 0 FIADLP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000126781903 1121990532 /nfs/dbraw/zinc/99/05/32/1121990532.db2.gz IRRYYPILVBCMLN-SJORKVTESA-N 2 2 374.550 4.328 20 0 FIADLP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000126781903 1121990537 /nfs/dbraw/zinc/99/05/37/1121990537.db2.gz IRRYYPILVBCMLN-SJORKVTESA-N 2 2 374.550 4.328 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(SC2CCCC2)cc1 ZINC000765795950 1122011741 /nfs/dbraw/zinc/01/17/41/1122011741.db2.gz GQJZOBFTJBSESA-QXAKKESOSA-N 2 2 360.567 4.235 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(SC2CCCC2)cc1 ZINC000765795950 1122011750 /nfs/dbraw/zinc/01/17/50/1122011750.db2.gz GQJZOBFTJBSESA-QXAKKESOSA-N 2 2 360.567 4.235 20 0 FIADLP C[C@H]([NH2+]Cc1c(F)cccc1N1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000497680928 1122347416 /nfs/dbraw/zinc/34/74/16/1122347416.db2.gz ZMPDRRLDYMDMRR-KRWDZBQOSA-N 2 2 364.468 4.462 20 0 FIADLP c1cn2c(C[NH2+]CCCNc3cccc[nH+]3)c(-c3ccccc3)nc2s1 ZINC000917996129 1122517462 /nfs/dbraw/zinc/51/74/62/1122517462.db2.gz LXOVXGOEMACPSX-UHFFFAOYSA-N 2 2 363.490 4.050 20 0 FIADLP Cc1[nH+]ccn1CCCC[NH+](Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000129201883 1122554532 /nfs/dbraw/zinc/55/45/32/1122554532.db2.gz OMRFDKISPXRVIJ-UHFFFAOYSA-N 2 2 363.509 4.081 20 0 FIADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000129247580 1122560658 /nfs/dbraw/zinc/56/06/58/1122560658.db2.gz DBIQWXQUNCUVLJ-SJORKVTESA-N 2 2 351.416 4.185 20 0 FIADLP FC(F)(F)c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(C(F)(F)F)c1 ZINC000129472966 1122610125 /nfs/dbraw/zinc/61/01/25/1122610125.db2.gz HYAITKCMWVBPFO-UHFFFAOYSA-N 2 2 366.349 4.441 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2csc(Br)c2)C[C@@H]1c1ccccc1 ZINC000556058572 1122628073 /nfs/dbraw/zinc/62/80/73/1122628073.db2.gz MESIKKMQYVFRHW-HZPDHXFCSA-N 2 2 365.340 4.436 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2csc(Br)c2)C[C@@H]1c1ccccc1 ZINC000556058572 1122628076 /nfs/dbraw/zinc/62/80/76/1122628076.db2.gz MESIKKMQYVFRHW-HZPDHXFCSA-N 2 2 365.340 4.436 20 0 FIADLP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000556503222 1122933720 /nfs/dbraw/zinc/93/37/20/1122933720.db2.gz HITOXELTNQUQLI-AUSIDOKSSA-N 2 2 368.521 4.027 20 0 FIADLP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000556503222 1122933724 /nfs/dbraw/zinc/93/37/24/1122933724.db2.gz HITOXELTNQUQLI-AUSIDOKSSA-N 2 2 368.521 4.027 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC(C)(C)Cc4occc43)[nH+]c2)CC1 ZINC000498753069 1122992610 /nfs/dbraw/zinc/99/26/10/1122992610.db2.gz OCHDNAMCYXVVLN-LJQANCHMSA-N 2 2 368.525 4.331 20 0 FIADLP FC(F)(F)Oc1ccccc1C[N@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000499057176 1123179591 /nfs/dbraw/zinc/17/95/91/1123179591.db2.gz SIDRVAUGJHNUMM-UHFFFAOYSA-N 2 2 353.388 4.227 20 0 FIADLP FC(F)(F)Oc1ccccc1C[N@@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000499057176 1123179596 /nfs/dbraw/zinc/17/95/96/1123179596.db2.gz SIDRVAUGJHNUMM-UHFFFAOYSA-N 2 2 353.388 4.227 20 0 FIADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000515077762 1123207889 /nfs/dbraw/zinc/20/78/89/1123207889.db2.gz QLMNNEMBFHSZBC-LDQXTDLNSA-N 2 2 354.542 4.433 20 0 FIADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000515077762 1123207892 /nfs/dbraw/zinc/20/78/92/1123207892.db2.gz QLMNNEMBFHSZBC-LDQXTDLNSA-N 2 2 354.542 4.433 20 0 FIADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCCO2 ZINC000132207444 1123230245 /nfs/dbraw/zinc/23/02/45/1123230245.db2.gz ZWLRJUGWWLVMQP-NRFANRHFSA-N 2 2 361.489 4.286 20 0 FIADLP c1ccc(Oc2cccnc2)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000075836266 1123525735 /nfs/dbraw/zinc/52/57/35/1123525735.db2.gz CLZBPCWCIPWWHN-IBGZPJMESA-N 2 2 351.494 4.182 20 0 FIADLP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000075836266 1123525740 /nfs/dbraw/zinc/52/57/40/1123525740.db2.gz CLZBPCWCIPWWHN-IBGZPJMESA-N 2 2 351.494 4.182 20 0 FIADLP Cc1ccc([C@H](CN[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000237532404 1123638476 /nfs/dbraw/zinc/63/84/76/1123638476.db2.gz QCQHHEJVPZZQHA-BVSLBCMMSA-N 2 2 367.537 4.150 20 0 FIADLP Cc1ccc([C@H](CN[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000237532404 1123638479 /nfs/dbraw/zinc/63/84/79/1123638479.db2.gz QCQHHEJVPZZQHA-BVSLBCMMSA-N 2 2 367.537 4.150 20 0 FIADLP CC[N@@H+](Cc1csc(C2CC2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000135646099 1123782871 /nfs/dbraw/zinc/78/28/71/1123782871.db2.gz RDQWLUSSUYNPKZ-UHFFFAOYSA-N 2 2 356.539 4.154 20 0 FIADLP CC[N@H+](Cc1csc(C2CC2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000135646099 1123782877 /nfs/dbraw/zinc/78/28/77/1123782877.db2.gz RDQWLUSSUYNPKZ-UHFFFAOYSA-N 2 2 356.539 4.154 20 0 FIADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000246865871 1124568607 /nfs/dbraw/zinc/56/86/07/1124568607.db2.gz AVRXIPFANQAJIH-RHSMWYFYSA-N 2 2 356.857 4.275 20 0 FIADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000246865871 1124568611 /nfs/dbraw/zinc/56/86/11/1124568611.db2.gz AVRXIPFANQAJIH-RHSMWYFYSA-N 2 2 356.857 4.275 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000246864969 1124568936 /nfs/dbraw/zinc/56/89/36/1124568936.db2.gz CRIPMYXBEMULSJ-RVFQGNMQSA-N 2 2 353.491 4.022 20 0 FIADLP Cc1ccccc1C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246993999 1124580015 /nfs/dbraw/zinc/58/00/15/1124580015.db2.gz KZFKCPPAIUOGJL-KNQAVFIVSA-N 2 2 351.538 4.168 20 0 FIADLP Cc1ccccc1C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246993999 1124580022 /nfs/dbraw/zinc/58/00/22/1124580022.db2.gz KZFKCPPAIUOGJL-KNQAVFIVSA-N 2 2 351.538 4.168 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000248075231 1124741029 /nfs/dbraw/zinc/74/10/29/1124741029.db2.gz MVXVMYPEHQPYBC-LAUBAEHRSA-N 2 2 369.940 4.267 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000248075231 1124741038 /nfs/dbraw/zinc/74/10/38/1124741038.db2.gz MVXVMYPEHQPYBC-LAUBAEHRSA-N 2 2 369.940 4.267 20 0 FIADLP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Nc1ccccc1 ZINC000248200244 1124750432 /nfs/dbraw/zinc/75/04/32/1124750432.db2.gz YLPMHIVAWFRROW-PTUXOGIPSA-N 2 2 366.553 4.018 20 0 FIADLP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Nc1ccccc1 ZINC000248200244 1124750439 /nfs/dbraw/zinc/75/04/39/1124750439.db2.gz YLPMHIVAWFRROW-PTUXOGIPSA-N 2 2 366.553 4.018 20 0 FIADLP COc1cc(OC)c([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1Cl ZINC000089512872 1124912122 /nfs/dbraw/zinc/91/21/22/1124912122.db2.gz XLQDBDDUUPNBEH-CYBMUJFWSA-N 2 2 354.922 4.271 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Cl)ccc1Cl ZINC000090525030 1125001023 /nfs/dbraw/zinc/00/10/23/1125001023.db2.gz SWWJWLVXDAUQCM-BKTGTZMESA-N 2 2 371.352 4.412 20 0 FIADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667343 1125013544 /nfs/dbraw/zinc/01/35/44/1125013544.db2.gz WXXFCZQKACHDMM-SBUREZEXSA-N 2 2 365.521 4.283 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1nc2ccccc2n1C ZINC000091313602 1125064747 /nfs/dbraw/zinc/06/47/47/1125064747.db2.gz VZLQURSBNBJICV-DLBZAZTESA-N 2 2 368.550 4.198 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1nc2ccccc2n1C ZINC000091313602 1125064755 /nfs/dbraw/zinc/06/47/55/1125064755.db2.gz VZLQURSBNBJICV-DLBZAZTESA-N 2 2 368.550 4.198 20 0 FIADLP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000113323469 1125151347 /nfs/dbraw/zinc/15/13/47/1125151347.db2.gz ZZQHYGDKPJEUEQ-CHWSQXEVSA-N 2 2 365.251 4.311 20 0 FIADLP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000113323469 1125151351 /nfs/dbraw/zinc/15/13/51/1125151351.db2.gz ZZQHYGDKPJEUEQ-CHWSQXEVSA-N 2 2 365.251 4.311 20 0 FIADLP CS[C@@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000922078118 1125291038 /nfs/dbraw/zinc/29/10/38/1125291038.db2.gz XRDHDRXNOKUFGT-SLTXQBBLSA-N 2 2 350.494 4.056 20 0 FIADLP COc1cccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1OC ZINC000093318292 1125297946 /nfs/dbraw/zinc/29/79/46/1125297946.db2.gz ASSNEMDAKDGZPZ-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1OC ZINC000093318292 1125297956 /nfs/dbraw/zinc/29/79/56/1125297956.db2.gz ASSNEMDAKDGZPZ-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1OC ZINC000093318292 1125297962 /nfs/dbraw/zinc/29/79/62/1125297962.db2.gz ASSNEMDAKDGZPZ-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1OC ZINC000093318292 1125297964 /nfs/dbraw/zinc/29/79/64/1125297964.db2.gz ASSNEMDAKDGZPZ-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnn(C(C)(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000093318651 1125298413 /nfs/dbraw/zinc/29/84/13/1125298413.db2.gz UMFVPQKAJOZYSR-WIYYLYMNSA-N 2 2 354.542 4.123 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnn(C(C)(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000093318651 1125298419 /nfs/dbraw/zinc/29/84/19/1125298419.db2.gz UMFVPQKAJOZYSR-WIYYLYMNSA-N 2 2 354.542 4.123 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnn(C(C)(C)C)c2)CC[NH+]1Cc1ccccc1 ZINC000093318651 1125298424 /nfs/dbraw/zinc/29/84/24/1125298424.db2.gz UMFVPQKAJOZYSR-WIYYLYMNSA-N 2 2 354.542 4.123 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnn(C(C)(C)C)c2)CC[NH+]1Cc1ccccc1 ZINC000093318651 1125298431 /nfs/dbraw/zinc/29/84/31/1125298431.db2.gz UMFVPQKAJOZYSR-WIYYLYMNSA-N 2 2 354.542 4.123 20 0 FIADLP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563673 1125439629 /nfs/dbraw/zinc/43/96/29/1125439629.db2.gz HFSJDPYUTKPJSJ-OAQYLSRUSA-N 2 2 353.485 4.338 20 0 FIADLP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563673 1125439632 /nfs/dbraw/zinc/43/96/32/1125439632.db2.gz HFSJDPYUTKPJSJ-OAQYLSRUSA-N 2 2 353.485 4.338 20 0 FIADLP c1cc(-c2nc3ccccc3s2)oc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093596840 1125452229 /nfs/dbraw/zinc/45/22/29/1125452229.db2.gz RFXQFMNDLVUNDY-MRXNPFEDSA-N 2 2 367.518 4.474 20 0 FIADLP c1cc(-c2nc3ccccc3s2)oc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093596840 1125452236 /nfs/dbraw/zinc/45/22/36/1125452236.db2.gz RFXQFMNDLVUNDY-MRXNPFEDSA-N 2 2 367.518 4.474 20 0 FIADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000602901974 568015598 /nfs/dbraw/zinc/01/55/98/568015598.db2.gz JALWKEIBCFNFNV-UHFFFAOYSA-N 2 2 365.811 4.389 20 0 FIADLP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000605009232 568516213 /nfs/dbraw/zinc/51/62/13/568516213.db2.gz XTYMFPJNUKMIRD-HXUWFJFHSA-N 2 2 364.468 4.078 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)s1 ZINC000390903016 568521382 /nfs/dbraw/zinc/52/13/82/568521382.db2.gz ITMJXXQAVHNZLC-DOTOQJQBSA-N 2 2 364.942 4.343 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)s1 ZINC000390903016 568521383 /nfs/dbraw/zinc/52/13/83/568521383.db2.gz ITMJXXQAVHNZLC-DOTOQJQBSA-N 2 2 364.942 4.343 20 0 FIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000022936176 570953737 /nfs/dbraw/zinc/95/37/37/570953737.db2.gz MKECYHCNSRWRBA-LJQANCHMSA-N 2 2 358.913 4.493 20 0 FIADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000022936176 570953740 /nfs/dbraw/zinc/95/37/40/570953740.db2.gz MKECYHCNSRWRBA-LJQANCHMSA-N 2 2 358.913 4.493 20 0 FIADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4ccccc4c[nH+]3)C[C@@H]21 ZINC001165025792 721804740 /nfs/dbraw/zinc/80/47/40/721804740.db2.gz OVEXJOKCDUVSTH-ACIOBRDBSA-N 2 2 372.516 4.367 20 0 FIADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4ccccc4c[nH+]3)C[C@@H]21 ZINC001165025792 721804741 /nfs/dbraw/zinc/80/47/41/721804741.db2.gz OVEXJOKCDUVSTH-ACIOBRDBSA-N 2 2 372.516 4.367 20 0 FIADLP CC(C)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]c1 ZINC001165020647 721814348 /nfs/dbraw/zinc/81/43/48/721814348.db2.gz CFNQUOLZCHQLHH-NNWRFLSQSA-N 2 2 364.537 4.337 20 0 FIADLP CC(C)c1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]c1 ZINC001165020647 721814349 /nfs/dbraw/zinc/81/43/49/721814349.db2.gz CFNQUOLZCHQLHH-NNWRFLSQSA-N 2 2 364.537 4.337 20 0 FIADLP Cc1cc(Cl)c(C)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)[nH+]1 ZINC001164952030 722018841 /nfs/dbraw/zinc/01/88/41/722018841.db2.gz GIKADWNLLSHXJU-UHFFFAOYSA-N 2 2 370.928 4.239 20 0 FIADLP Cc1cc(Cl)c(C)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)[nH+]1 ZINC001164952030 722018844 /nfs/dbraw/zinc/01/88/44/722018844.db2.gz GIKADWNLLSHXJU-UHFFFAOYSA-N 2 2 370.928 4.239 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@@H+]1C ZINC000093643618 1125470146 /nfs/dbraw/zinc/47/01/46/1125470146.db2.gz OCHWOOKPJCINQH-CABCVRRESA-N 2 2 355.507 4.471 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@H+]1C ZINC000093643618 1125470152 /nfs/dbraw/zinc/47/01/52/1125470152.db2.gz OCHWOOKPJCINQH-CABCVRRESA-N 2 2 355.507 4.471 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3nc4ccccc4s3)o2)CC[NH+]1C ZINC000093643618 1125470159 /nfs/dbraw/zinc/47/01/59/1125470159.db2.gz OCHWOOKPJCINQH-CABCVRRESA-N 2 2 355.507 4.471 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3nc4ccccc4s3)o2)CC[NH+]1C ZINC000093643618 1125470167 /nfs/dbraw/zinc/47/01/67/1125470167.db2.gz OCHWOOKPJCINQH-CABCVRRESA-N 2 2 355.507 4.471 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Cl)c1F ZINC000763539965 1125550483 /nfs/dbraw/zinc/55/04/83/1125550483.db2.gz SAIVTDYAZCZOJU-QAPCUYQASA-N 2 2 354.897 4.163 20 0 FIADLP Cc1cc([C@H]([NH2+]CCc2c[nH+]cn2C)c2ccccc2Cl)ccc1F ZINC000530513248 1080009097 /nfs/dbraw/zinc/00/90/97/1080009097.db2.gz XBRXLWOOHGPUEP-FQEVSTJZSA-N 2 2 357.860 4.443 20 0 FIADLP c1cn(Cc2ccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)cc2)c[nH+]1 ZINC000180091897 1080440467 /nfs/dbraw/zinc/44/04/67/1080440467.db2.gz BWQORDNMZJMTKZ-QHCPKHFHSA-N 2 2 354.457 4.206 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Br)o1 ZINC000398165720 1080816732 /nfs/dbraw/zinc/81/67/32/1080816732.db2.gz TUZWWDZQUMCFOE-YOEHRIQHSA-N 2 2 363.299 4.042 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Br)o1 ZINC000398165720 1080816747 /nfs/dbraw/zinc/81/67/47/1080816747.db2.gz TUZWWDZQUMCFOE-YOEHRIQHSA-N 2 2 363.299 4.042 20 0 FIADLP CC(C)Cc1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000655704797 1081126488 /nfs/dbraw/zinc/12/64/88/1081126488.db2.gz KWXIVKIPYQKALZ-XZOQPEGZSA-N 2 2 356.554 4.179 20 0 FIADLP Fc1ccc([C@@H](CC(F)(F)F)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655735342 1081156234 /nfs/dbraw/zinc/15/62/34/1081156234.db2.gz HLRVLQJYXZCWGZ-QZTJIDSGSA-N 2 2 374.422 4.052 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)c2ccccc21 ZINC000655755245 1081176149 /nfs/dbraw/zinc/17/61/49/1081176149.db2.gz UVURSVMXCDDKMK-NVXWUHKLSA-N 2 2 358.913 4.397 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1Cl ZINC000655761016 1081179850 /nfs/dbraw/zinc/17/98/50/1081179850.db2.gz DJYRODJVKXMNAB-CJNGLKHVSA-N 2 2 357.325 4.287 20 0 FIADLP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129391837 1081534324 /nfs/dbraw/zinc/53/43/24/1081534324.db2.gz RGAQYEPHBWVBBR-KEYYUXOJSA-N 2 2 371.872 4.231 20 0 FIADLP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129391837 1081534328 /nfs/dbraw/zinc/53/43/28/1081534328.db2.gz RGAQYEPHBWVBBR-KEYYUXOJSA-N 2 2 371.872 4.231 20 0 FIADLP c1cn(-c2csc(C[NH2+][C@H]3c4ccccc4CC34CCOCC4)c2)c[nH+]1 ZINC000580132246 1081630096 /nfs/dbraw/zinc/63/00/96/1081630096.db2.gz VWZHGJQRFPHZOW-FQEVSTJZSA-N 2 2 365.502 4.118 20 0 FIADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCSc3ccccc3)CC2)cc1 ZINC000160520373 1081970108 /nfs/dbraw/zinc/97/01/08/1081970108.db2.gz ZXRFEBRAWAUZPS-UHFFFAOYSA-N 2 2 355.551 4.103 20 0 FIADLP c1c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)noc1-c1ccccc1 ZINC000580641317 1082063484 /nfs/dbraw/zinc/06/34/84/1082063484.db2.gz NMUWPACUBAXMTL-YADHBBJMSA-N 2 2 373.500 4.296 20 0 FIADLP c1c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)noc1-c1ccccc1 ZINC000580641317 1082063492 /nfs/dbraw/zinc/06/34/92/1082063492.db2.gz NMUWPACUBAXMTL-YADHBBJMSA-N 2 2 373.500 4.296 20 0 FIADLP c1c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)noc1-c1ccccc1 ZINC000580641317 1082063498 /nfs/dbraw/zinc/06/34/98/1082063498.db2.gz NMUWPACUBAXMTL-YADHBBJMSA-N 2 2 373.500 4.296 20 0 FIADLP c1c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)noc1-c1ccccc1 ZINC000580641317 1082063503 /nfs/dbraw/zinc/06/35/03/1082063503.db2.gz NMUWPACUBAXMTL-YADHBBJMSA-N 2 2 373.500 4.296 20 0 FIADLP Cc1ccc(C[C@H](C)[N@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001167454203 1082457637 /nfs/dbraw/zinc/45/76/37/1082457637.db2.gz QFUOKFFXNUQPPG-XUZZJYLKSA-N 2 2 366.549 4.149 20 0 FIADLP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001167454203 1082457642 /nfs/dbraw/zinc/45/76/42/1082457642.db2.gz QFUOKFFXNUQPPG-XUZZJYLKSA-N 2 2 366.549 4.149 20 0 FIADLP Cc1ccc(C[C@H](C)[NH+](C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001167454203 1082457650 /nfs/dbraw/zinc/45/76/50/1082457650.db2.gz QFUOKFFXNUQPPG-XUZZJYLKSA-N 2 2 366.549 4.149 20 0 FIADLP Cc1ccc(C[C@H](C)[NH+](C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001167454203 1082457655 /nfs/dbraw/zinc/45/76/55/1082457655.db2.gz QFUOKFFXNUQPPG-XUZZJYLKSA-N 2 2 366.549 4.149 20 0 FIADLP CCC[NH+]1CCC([N@H+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)CC1 ZINC000510469700 1082945285 /nfs/dbraw/zinc/94/52/85/1082945285.db2.gz PYGZBICDEXAQKC-UHFFFAOYSA-N 2 2 368.569 4.163 20 0 FIADLP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)CC1 ZINC000510469700 1082945288 /nfs/dbraw/zinc/94/52/88/1082945288.db2.gz PYGZBICDEXAQKC-UHFFFAOYSA-N 2 2 368.569 4.163 20 0 FIADLP C[C@@H]([NH2+][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1c[nH+]ccc1N ZINC000581878665 1082951886 /nfs/dbraw/zinc/95/18/86/1082951886.db2.gz XKZYVJFRALDDPS-SJKOYZFVSA-N 2 2 368.481 4.485 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(Br)cc1F ZINC000581985234 1083342935 /nfs/dbraw/zinc/34/29/35/1083342935.db2.gz PCEYCOXHTGOIMH-UHFFFAOYSA-N 2 2 368.294 4.259 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(Br)cc1F ZINC000581985234 1083342937 /nfs/dbraw/zinc/34/29/37/1083342937.db2.gz PCEYCOXHTGOIMH-UHFFFAOYSA-N 2 2 368.294 4.259 20 0 FIADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)c1C ZINC000658227113 1083360913 /nfs/dbraw/zinc/36/09/13/1083360913.db2.gz QWNHMJDFAPDSCG-MJGOQNOKSA-N 2 2 357.542 4.017 20 0 FIADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)c1C ZINC000658227113 1083360921 /nfs/dbraw/zinc/36/09/21/1083360921.db2.gz QWNHMJDFAPDSCG-MJGOQNOKSA-N 2 2 357.542 4.017 20 0 FIADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cs1 ZINC000658319081 1083405725 /nfs/dbraw/zinc/40/57/25/1083405725.db2.gz WQKARVVJRJSTGP-VQIMIIECSA-N 2 2 355.551 4.404 20 0 FIADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cs1 ZINC000658319081 1083405731 /nfs/dbraw/zinc/40/57/31/1083405731.db2.gz WQKARVVJRJSTGP-VQIMIIECSA-N 2 2 355.551 4.404 20 0 FIADLP C[N@H+](Cc1cc2ccccc2s1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645190 1083460885 /nfs/dbraw/zinc/46/08/85/1083460885.db2.gz FWBVZDUFNHYYCJ-UHFFFAOYSA-N 2 2 365.546 4.435 20 0 FIADLP C[N@@H+](Cc1cc2ccccc2s1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645190 1083460889 /nfs/dbraw/zinc/46/08/89/1083460889.db2.gz FWBVZDUFNHYYCJ-UHFFFAOYSA-N 2 2 365.546 4.435 20 0 FIADLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1OCCC(C)C ZINC000092648735 1083463097 /nfs/dbraw/zinc/46/30/97/1083463097.db2.gz RDPWKPCDBNBTTC-UHFFFAOYSA-N 2 2 357.498 4.154 20 0 FIADLP CC(C)(C)CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510937105 1083513395 /nfs/dbraw/zinc/51/33/95/1083513395.db2.gz NPMUARTUDZUXOC-UHFFFAOYSA-N 2 2 354.292 4.177 20 0 FIADLP CC(C)(C)CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510937105 1083513401 /nfs/dbraw/zinc/51/34/01/1083513401.db2.gz NPMUARTUDZUXOC-UHFFFAOYSA-N 2 2 354.292 4.177 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCC([N@H+](C)Cc3ccccc3)CC1)CCC2 ZINC000375842753 1083675737 /nfs/dbraw/zinc/67/57/37/1083675737.db2.gz WQRBQUGVPHZGEW-ITAUSPCMSA-N 3 2 366.553 4.102 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc3ccccc3)CC1)CCC2 ZINC000375842753 1083675744 /nfs/dbraw/zinc/67/57/44/1083675744.db2.gz WQRBQUGVPHZGEW-ITAUSPCMSA-N 3 2 366.553 4.102 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000892104699 1084298576 /nfs/dbraw/zinc/29/85/76/1084298576.db2.gz DPNJHZGKJYVWFZ-ZIAGYGMSSA-N 2 2 353.532 4.010 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000892104699 1084298584 /nfs/dbraw/zinc/29/85/84/1084298584.db2.gz DPNJHZGKJYVWFZ-ZIAGYGMSSA-N 2 2 353.532 4.010 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000892104699 1084298595 /nfs/dbraw/zinc/29/85/95/1084298595.db2.gz DPNJHZGKJYVWFZ-ZIAGYGMSSA-N 2 2 353.532 4.010 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000892104699 1084298604 /nfs/dbraw/zinc/29/86/04/1084298604.db2.gz DPNJHZGKJYVWFZ-ZIAGYGMSSA-N 2 2 353.532 4.010 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(C)c1 ZINC000414111814 1084588018 /nfs/dbraw/zinc/58/80/18/1084588018.db2.gz XKRPDIGNAJAJDQ-ROUUACIJSA-N 2 2 353.510 4.275 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)[C@H]1CC1(C)C ZINC000414143279 1084687195 /nfs/dbraw/zinc/68/71/95/1084687195.db2.gz IQESQNYGSMERGJ-RTWAWAEBSA-N 2 2 357.542 4.024 20 0 FIADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nc2c(s1)CCC2 ZINC000414154866 1084711145 /nfs/dbraw/zinc/71/11/45/1084711145.db2.gz LUXGGIQCQSVKGK-OWYHZJEWSA-N 2 2 367.562 4.478 20 0 FIADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nc2c(s1)CCC2 ZINC000414154866 1084711152 /nfs/dbraw/zinc/71/11/52/1084711152.db2.gz LUXGGIQCQSVKGK-OWYHZJEWSA-N 2 2 367.562 4.478 20 0 FIADLP c1csc(-c2nc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)co2)c1 ZINC000613421100 1084712291 /nfs/dbraw/zinc/71/22/91/1084712291.db2.gz ONLMCQSLXQKRSU-UHFFFAOYSA-N 2 2 359.539 4.491 20 0 FIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2F)[C@H]1c1cccs1 ZINC000657375119 1084792363 /nfs/dbraw/zinc/79/23/63/1084792363.db2.gz VDUVATMZFUJGSS-ACJLOTCBSA-N 2 2 354.441 4.338 20 0 FIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2F)[C@H]1c1cccs1 ZINC000657375119 1084792369 /nfs/dbraw/zinc/79/23/69/1084792369.db2.gz VDUVATMZFUJGSS-ACJLOTCBSA-N 2 2 354.441 4.338 20 0 FIADLP CCCn1c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)nc2ccccc21 ZINC000582352935 1084899968 /nfs/dbraw/zinc/89/99/68/1084899968.db2.gz GWRFCWJISXKBRU-UHFFFAOYSA-N 2 2 365.525 4.335 20 0 FIADLP C[NH+](C)Cc1ccccc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000582395854 1084954983 /nfs/dbraw/zinc/95/49/83/1084954983.db2.gz OENDHXOQHPEMGX-UHFFFAOYSA-N 2 2 374.488 4.200 20 0 FIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3nnc(C4CC4)s3)cc2)C1 ZINC000892598401 1084976107 /nfs/dbraw/zinc/97/61/07/1084976107.db2.gz AYIJOPSKTQYWEO-IYBDPMFKSA-N 2 2 370.566 4.183 20 0 FIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3nnc(C4CC4)s3)cc2)C1 ZINC000892598401 1084976110 /nfs/dbraw/zinc/97/61/10/1084976110.db2.gz AYIJOPSKTQYWEO-IYBDPMFKSA-N 2 2 370.566 4.183 20 0 FIADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1nc2ccccc2n1C(F)F ZINC000116396203 1085359481 /nfs/dbraw/zinc/35/94/81/1085359481.db2.gz TXDXIZJXKDFCRR-BBRMVZONSA-N 2 2 352.473 4.448 20 0 FIADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000651822085 1085528397 /nfs/dbraw/zinc/52/83/97/1085528397.db2.gz KEWWFCAQSRAPLC-VXKWHMMOSA-N 2 2 357.542 4.168 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Cl)c1F ZINC000161699430 1085915774 /nfs/dbraw/zinc/91/57/74/1085915774.db2.gz WGDCMARTVQIJLP-KBXCAEBGSA-N 2 2 354.897 4.021 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cnc2ccsc2c1 ZINC000153670545 1086034869 /nfs/dbraw/zinc/03/48/69/1086034869.db2.gz ZJNIAALLNSTKEB-ZDUSSCGKSA-N 2 2 352.438 4.472 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cnccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000663354286 1086456451 /nfs/dbraw/zinc/45/64/51/1086456451.db2.gz OJJJJCMISINWTG-MAUKXSAKSA-N 2 2 363.427 4.243 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cnccc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000663354286 1086456454 /nfs/dbraw/zinc/45/64/54/1086456454.db2.gz OJJJJCMISINWTG-MAUKXSAKSA-N 2 2 363.427 4.243 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCOC1 ZINC000165552969 1086537346 /nfs/dbraw/zinc/53/73/46/1086537346.db2.gz ONBUONGQEPPASL-PGRDOPGGSA-N 2 2 361.489 4.113 20 0 FIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000585750081 1086685939 /nfs/dbraw/zinc/68/59/39/1086685939.db2.gz FUBJNOCCPVFMNC-JTHBVZDNSA-N 2 2 361.489 4.472 20 0 FIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000585750081 1086685943 /nfs/dbraw/zinc/68/59/43/1086685943.db2.gz FUBJNOCCPVFMNC-JTHBVZDNSA-N 2 2 361.489 4.472 20 0 FIADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)c(F)c1)CCCO2 ZINC000098172986 1086741156 /nfs/dbraw/zinc/74/11/56/1086741156.db2.gz UEWIVXQAEZTPEZ-GOSISDBHSA-N 2 2 355.388 4.154 20 0 FIADLP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CCCO1 ZINC000432422485 1086747951 /nfs/dbraw/zinc/74/79/51/1086747951.db2.gz UFNRRIPGBHXAQI-GUYCJALGSA-N 2 2 357.325 4.071 20 0 FIADLP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CCCO1 ZINC000432422485 1086747957 /nfs/dbraw/zinc/74/79/57/1086747957.db2.gz UFNRRIPGBHXAQI-GUYCJALGSA-N 2 2 357.325 4.071 20 0 FIADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001167842927 1086759554 /nfs/dbraw/zinc/75/95/54/1086759554.db2.gz ZRXBEUOXMBUORM-DXVXXHEXSA-N 3 2 373.629 4.392 20 0 FIADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001167842927 1086759560 /nfs/dbraw/zinc/75/95/60/1086759560.db2.gz ZRXBEUOXMBUORM-DXVXXHEXSA-N 3 2 373.629 4.392 20 0 FIADLP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001167842927 1086759564 /nfs/dbraw/zinc/75/95/64/1086759564.db2.gz ZRXBEUOXMBUORM-DXVXXHEXSA-N 3 2 373.629 4.392 20 0 FIADLP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001167842927 1086759567 /nfs/dbraw/zinc/75/95/67/1086759567.db2.gz ZRXBEUOXMBUORM-DXVXXHEXSA-N 3 2 373.629 4.392 20 0 FIADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245607544 1086803763 /nfs/dbraw/zinc/80/37/63/1086803763.db2.gz NNOHKUIPKGRMID-QRFRQXIXSA-N 2 2 368.525 4.225 20 0 FIADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245607544 1086803777 /nfs/dbraw/zinc/80/37/77/1086803777.db2.gz NNOHKUIPKGRMID-QRFRQXIXSA-N 2 2 368.525 4.225 20 0 FIADLP c1cc(-c2ncc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)s2)cs1 ZINC000092812663 1087080235 /nfs/dbraw/zinc/08/02/35/1087080235.db2.gz XOIWKXDHLMICIB-CQSZACIVSA-N 2 2 356.520 4.201 20 0 FIADLP c1cc(-c2ncc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)s2)cs1 ZINC000092812663 1087080241 /nfs/dbraw/zinc/08/02/41/1087080241.db2.gz XOIWKXDHLMICIB-CQSZACIVSA-N 2 2 356.520 4.201 20 0 FIADLP FC(F)(F)c1cnc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000278550208 1087086225 /nfs/dbraw/zinc/08/62/25/1087086225.db2.gz BJSVAMHKCDJYBO-UHFFFAOYSA-N 2 2 355.429 4.048 20 0 FIADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151355163 1087094589 /nfs/dbraw/zinc/09/45/89/1087094589.db2.gz HRIGZJQWYTXJOB-HNNXBMFYSA-N 2 2 355.869 4.444 20 0 FIADLP COc1cc2ccc([C@H](C)[NH2+]CCCCn3cc[nH+]c3)cc2cc1OC ZINC000657844594 1087287887 /nfs/dbraw/zinc/28/78/87/1087287887.db2.gz OGVKVUBLEGTLMB-INIZCTEOSA-N 2 2 353.466 4.185 20 0 FIADLP COc1ccccc1SC[C@@H](C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000089515657 1087394920 /nfs/dbraw/zinc/39/49/20/1087394920.db2.gz KRKISVCLMUQSHG-KRWDZBQOSA-N 2 2 371.550 4.077 20 0 FIADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1cc2ccncc2s1 ZINC000657861515 1087414121 /nfs/dbraw/zinc/41/41/21/1087414121.db2.gz IOAPEABXYUEJBR-UKRRQHHQSA-N 2 2 354.523 4.456 20 0 FIADLP C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090975063 1087416633 /nfs/dbraw/zinc/41/66/33/1087416633.db2.gz VDIDNQKFQGKFBJ-IPJUCJBFSA-N 2 2 369.509 4.423 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071741 1087437453 /nfs/dbraw/zinc/43/74/53/1087437453.db2.gz TWIZFNCEYJZKQL-INIZCTEOSA-N 2 2 369.900 4.245 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071741 1087437455 /nfs/dbraw/zinc/43/74/55/1087437455.db2.gz TWIZFNCEYJZKQL-INIZCTEOSA-N 2 2 369.900 4.245 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C)cc1Br ZINC000685462800 1087575474 /nfs/dbraw/zinc/57/54/74/1087575474.db2.gz HSWVCBZTBFGZNT-UHFFFAOYSA-N 2 2 364.331 4.429 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C)cc1Br ZINC000685462800 1087575477 /nfs/dbraw/zinc/57/54/77/1087575477.db2.gz HSWVCBZTBFGZNT-UHFFFAOYSA-N 2 2 364.331 4.429 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(C(F)F)nc1 ZINC000657933978 1087661227 /nfs/dbraw/zinc/66/12/27/1087661227.db2.gz ZKXSKXFFJSVHHJ-HUUCEWRRSA-N 2 2 360.452 4.290 20 0 FIADLP Fc1cccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cccc(Cl)c2)c1 ZINC000685662277 1087668554 /nfs/dbraw/zinc/66/85/54/1087668554.db2.gz GDFWQCHTBSJNSN-PXNSSMCTSA-N 2 2 355.844 4.439 20 0 FIADLP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000657978323 1087687632 /nfs/dbraw/zinc/68/76/32/1087687632.db2.gz BOEJXIJRIBKAIY-WCQYABFASA-N 2 2 357.807 4.091 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2c[nH]nc2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000093318403 1087688375 /nfs/dbraw/zinc/68/83/75/1087688375.db2.gz UCEBUKCDPORQEE-YLJYHZDGSA-N 2 2 354.542 4.192 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2c[nH]nc2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000093318403 1087688376 /nfs/dbraw/zinc/68/83/76/1087688376.db2.gz UCEBUKCDPORQEE-YLJYHZDGSA-N 2 2 354.542 4.192 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000093318403 1087688379 /nfs/dbraw/zinc/68/83/79/1087688379.db2.gz UCEBUKCDPORQEE-YLJYHZDGSA-N 2 2 354.542 4.192 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2c[nH]nc2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000093318403 1087688381 /nfs/dbraw/zinc/68/83/81/1087688381.db2.gz UCEBUKCDPORQEE-YLJYHZDGSA-N 2 2 354.542 4.192 20 0 FIADLP CC[N@H+](C)C[C@H]1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000093770088 1087691124 /nfs/dbraw/zinc/69/11/24/1087691124.db2.gz NYHNCWPVKXGQBP-CYBMUJFWSA-N 2 2 355.309 4.043 20 0 FIADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000093770088 1087691126 /nfs/dbraw/zinc/69/11/26/1087691126.db2.gz NYHNCWPVKXGQBP-CYBMUJFWSA-N 2 2 355.309 4.043 20 0 FIADLP CC[NH+](C)C[C@H]1CC[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000093770088 1087691128 /nfs/dbraw/zinc/69/11/28/1087691128.db2.gz NYHNCWPVKXGQBP-CYBMUJFWSA-N 2 2 355.309 4.043 20 0 FIADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000093770088 1087691130 /nfs/dbraw/zinc/69/11/30/1087691130.db2.gz NYHNCWPVKXGQBP-CYBMUJFWSA-N 2 2 355.309 4.043 20 0 FIADLP CC(C)[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)cc(Br)c1 ZINC000658018695 1087699499 /nfs/dbraw/zinc/69/94/99/1087699499.db2.gz FIZSSBLVDFUGHL-RHSMWYFYSA-N 2 2 366.278 4.156 20 0 FIADLP CC(C)[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)cc(Br)c1 ZINC000658018694 1087699637 /nfs/dbraw/zinc/69/96/37/1087699637.db2.gz FIZSSBLVDFUGHL-PBHICJAKSA-N 2 2 366.278 4.156 20 0 FIADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000658195943 1087788827 /nfs/dbraw/zinc/78/88/27/1087788827.db2.gz PUIDFTUBQHWYCW-VGOFRKELSA-N 2 2 373.504 4.191 20 0 FIADLP CC[C@@H]1C[N@@H+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647934714 1087804169 /nfs/dbraw/zinc/80/41/69/1087804169.db2.gz NSQMICUYRIBQND-BUVFEPMLSA-N 2 2 361.489 4.151 20 0 FIADLP CC[C@@H]1C[N@H+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647934714 1087804190 /nfs/dbraw/zinc/80/41/90/1087804190.db2.gz NSQMICUYRIBQND-BUVFEPMLSA-N 2 2 361.489 4.151 20 0 FIADLP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H](Cn3cc[nH+]c3)c3ccc(C)cc3C)C[C@H]2C1 ZINC000424303904 1087929670 /nfs/dbraw/zinc/92/96/70/1087929670.db2.gz PQSCGJGMPGCUSO-RHFRXIPYSA-N 2 2 353.510 4.034 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](Cc1ccncc1)c1cccs1)CCC2 ZINC000424311562 1087933405 /nfs/dbraw/zinc/93/34/05/1087933405.db2.gz LBGMJDVATZNXAU-QZTJIDSGSA-N 2 2 352.507 4.099 20 0 FIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cn(C)nc2-c2cccs2)cc1 ZINC000414821062 1088299727 /nfs/dbraw/zinc/29/97/27/1088299727.db2.gz BPNWCIKJDXRVGI-GOSISDBHSA-N 2 2 354.523 4.062 20 0 FIADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000514090260 1088735814 /nfs/dbraw/zinc/73/58/14/1088735814.db2.gz UDSQDQKQTCVMHH-QGZVFWFLSA-N 2 2 369.459 4.363 20 0 FIADLP CCO[C@H](C)c1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cs1 ZINC000434675413 1088941754 /nfs/dbraw/zinc/94/17/54/1088941754.db2.gz YPNGIOPKGIZDPO-OAHLLOKOSA-N 2 2 374.554 4.153 20 0 FIADLP c1csc(-c2cc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)no2)c1 ZINC000434683309 1088952698 /nfs/dbraw/zinc/95/26/98/1088952698.db2.gz ZOVSHUKXEYVARB-UHFFFAOYSA-N 2 2 368.506 4.316 20 0 FIADLP CC(C)Oc1cccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435427549 1089644798 /nfs/dbraw/zinc/64/47/98/1089644798.db2.gz NMFIXKLHFHSFLM-IBGZPJMESA-N 2 2 371.550 4.075 20 0 FIADLP CC(C)Oc1cccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435427549 1089644800 /nfs/dbraw/zinc/64/48/00/1089644800.db2.gz NMFIXKLHFHSFLM-IBGZPJMESA-N 2 2 371.550 4.075 20 0 FIADLP CC[N@H+](CC(=O)Nc1c(C(C)C)cccc1C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435612896 1089797367 /nfs/dbraw/zinc/79/73/67/1089797367.db2.gz HTOVDBLVBIFKND-SFHVURJKSA-N 2 2 359.558 4.336 20 0 FIADLP CC[N@@H+](CC(=O)Nc1c(C(C)C)cccc1C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435612896 1089797387 /nfs/dbraw/zinc/79/73/87/1089797387.db2.gz HTOVDBLVBIFKND-SFHVURJKSA-N 2 2 359.558 4.336 20 0 FIADLP C[N@@H+](Cc1ccc(-c2ccccn2)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000425413987 1090011019 /nfs/dbraw/zinc/01/10/19/1090011019.db2.gz FHVLFDWZTHXDHV-QFIPXVFZSA-N 2 2 372.516 4.098 20 0 FIADLP C[N@H+](Cc1ccc(-c2ccccn2)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000425413987 1090011034 /nfs/dbraw/zinc/01/10/34/1090011034.db2.gz FHVLFDWZTHXDHV-QFIPXVFZSA-N 2 2 372.516 4.098 20 0 FIADLP C[NH+](Cc1ccc(-c2ccccn2)nc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425413987 1090011043 /nfs/dbraw/zinc/01/10/43/1090011043.db2.gz FHVLFDWZTHXDHV-QFIPXVFZSA-N 2 2 372.516 4.098 20 0 FIADLP C[NH+](Cc1ccc(-c2ccccn2)nc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425413987 1090011056 /nfs/dbraw/zinc/01/10/56/1090011056.db2.gz FHVLFDWZTHXDHV-QFIPXVFZSA-N 2 2 372.516 4.098 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000893198072 1090281534 /nfs/dbraw/zinc/28/15/34/1090281534.db2.gz BDLHOECGZIMDSD-XRTORIHISA-N 2 2 371.475 4.421 20 0 FIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000660121616 1090589591 /nfs/dbraw/zinc/58/95/91/1090589591.db2.gz VJDDKPOPGVLQEF-SFHVURJKSA-N 2 2 370.459 4.169 20 0 FIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000660121616 1090589605 /nfs/dbraw/zinc/58/96/05/1090589605.db2.gz VJDDKPOPGVLQEF-SFHVURJKSA-N 2 2 370.459 4.169 20 0 FIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000319351094 1091118033 /nfs/dbraw/zinc/11/80/33/1091118033.db2.gz MUBZAYWLCKKPLW-IAGOWNOFSA-N 2 2 362.315 4.337 20 0 FIADLP Fc1ccc(C(F)(F)F)cc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000500295567 1091233673 /nfs/dbraw/zinc/23/36/73/1091233673.db2.gz HTRXGCSUTZXRPN-UHFFFAOYSA-N 2 2 363.358 4.379 20 0 FIADLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390570446 1091270590 /nfs/dbraw/zinc/27/05/90/1091270590.db2.gz BJDDEEXVKRUJKJ-CVDCTZTESA-N 2 2 368.521 4.027 20 0 FIADLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390570446 1091270598 /nfs/dbraw/zinc/27/05/98/1091270598.db2.gz BJDDEEXVKRUJKJ-CVDCTZTESA-N 2 2 368.521 4.027 20 0 FIADLP CC(C)COc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000511672372 1091523824 /nfs/dbraw/zinc/52/38/24/1091523824.db2.gz NYTKHVVRGBWAGG-UHFFFAOYSA-N 2 2 352.522 4.476 20 0 FIADLP Cc1cc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)sc1Br ZINC000511774339 1091662313 /nfs/dbraw/zinc/66/23/13/1091662313.db2.gz DKEPLJTXRIKUNT-HSBZDZAISA-N 2 2 357.361 4.487 20 0 FIADLP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2ccccc2Cl)CC1 ZINC000543869882 1091693619 /nfs/dbraw/zinc/69/36/19/1091693619.db2.gz MLWDZNHSHUVCQX-UHFFFAOYSA-N 2 2 365.949 4.113 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@@H](c4[nH+]ccn4C)C3)o2)cc1C ZINC000365631425 1091792103 /nfs/dbraw/zinc/79/21/03/1091792103.db2.gz QTVMCUDXGLXEEW-FUHWJXTLSA-N 2 2 365.481 4.028 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCC[C@@H](c4[nH+]ccn4C)C3)o2)cc1C ZINC000365631425 1091792109 /nfs/dbraw/zinc/79/21/09/1091792109.db2.gz QTVMCUDXGLXEEW-FUHWJXTLSA-N 2 2 365.481 4.028 20 0 FIADLP Cc1cc(C(F)(F)F)cc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)[nH+]1 ZINC000663735204 1091834710 /nfs/dbraw/zinc/83/47/10/1091834710.db2.gz CXBYXJZIIRLHRI-AWEZNQCLSA-N 2 2 364.415 4.441 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000512205441 1091910511 /nfs/dbraw/zinc/91/05/11/1091910511.db2.gz ZDVYEWPBFDXALJ-ROUUACIJSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000512205441 1091910515 /nfs/dbraw/zinc/91/05/15/1091910515.db2.gz ZDVYEWPBFDXALJ-ROUUACIJSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000512205441 1091910519 /nfs/dbraw/zinc/91/05/19/1091910519.db2.gz ZDVYEWPBFDXALJ-ROUUACIJSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000512205441 1091910521 /nfs/dbraw/zinc/91/05/21/1091910521.db2.gz ZDVYEWPBFDXALJ-ROUUACIJSA-N 2 2 370.566 4.292 20 0 FIADLP Cc1cccc([C@H](CNc2cc[nH+]c3cc(F)ccc23)[NH+]2CCOCC2)c1 ZINC000500500943 1092150113 /nfs/dbraw/zinc/15/01/13/1092150113.db2.gz LLRTVMGURSKBOX-QFIPXVFZSA-N 2 2 365.452 4.168 20 0 FIADLP CSc1cc(Br)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000512379157 1092187609 /nfs/dbraw/zinc/18/76/09/1092187609.db2.gz DTMMSRNNMQEUIT-UHFFFAOYSA-N 2 2 366.328 4.274 20 0 FIADLP CC[NH+](CC)CCOC1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000432730424 1092199677 /nfs/dbraw/zinc/19/96/77/1092199677.db2.gz PRXQGLBJZOZFGY-UHFFFAOYSA-N 2 2 365.370 4.378 20 0 FIADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432741459 1092236698 /nfs/dbraw/zinc/23/66/98/1092236698.db2.gz GUFXMKDEIMROMG-UHFFFAOYSA-N 2 2 356.272 4.321 20 0 FIADLP CCCc1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000428236206 1092305131 /nfs/dbraw/zinc/30/51/31/1092305131.db2.gz GOZYFIWTOFWOEB-FXAWDEMLSA-N 2 2 355.526 4.420 20 0 FIADLP CCCc1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000428236206 1092305147 /nfs/dbraw/zinc/30/51/47/1092305147.db2.gz GOZYFIWTOFWOEB-FXAWDEMLSA-N 2 2 355.526 4.420 20 0 FIADLP CCCc1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000428236206 1092305160 /nfs/dbraw/zinc/30/51/60/1092305160.db2.gz GOZYFIWTOFWOEB-FXAWDEMLSA-N 2 2 355.526 4.420 20 0 FIADLP CCCc1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000428236206 1092305172 /nfs/dbraw/zinc/30/51/72/1092305172.db2.gz GOZYFIWTOFWOEB-FXAWDEMLSA-N 2 2 355.526 4.420 20 0 FIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000236863255 1092432424 /nfs/dbraw/zinc/43/24/24/1092432424.db2.gz XUNNOYSUGCIPMB-KBXCAEBGSA-N 2 2 359.341 4.220 20 0 FIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000236863255 1092432431 /nfs/dbraw/zinc/43/24/31/1092432431.db2.gz XUNNOYSUGCIPMB-KBXCAEBGSA-N 2 2 359.341 4.220 20 0 FIADLP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc(C(C)C)n4ccccc34)C2)[nH+]1 ZINC000521053731 1092449020 /nfs/dbraw/zinc/44/90/20/1092449020.db2.gz XCBLRMAKUKAUCU-GOSISDBHSA-N 2 2 363.509 4.095 20 0 FIADLP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc(C(C)C)n4ccccc34)C2)[nH+]1 ZINC000521053731 1092449038 /nfs/dbraw/zinc/44/90/38/1092449038.db2.gz XCBLRMAKUKAUCU-GOSISDBHSA-N 2 2 363.509 4.095 20 0 FIADLP Cc1cccc(NC[C@H]2CCN(Cc3[nH+]c(C(C)C)n4ccccc34)C2)[nH+]1 ZINC000521053731 1092449058 /nfs/dbraw/zinc/44/90/58/1092449058.db2.gz XCBLRMAKUKAUCU-GOSISDBHSA-N 2 2 363.509 4.095 20 0 FIADLP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000521122479 1092502305 /nfs/dbraw/zinc/50/23/05/1092502305.db2.gz QVVOXPYYIWAIJK-MJGOQNOKSA-N 2 2 353.510 4.223 20 0 FIADLP COC(=O)c1cc([C@@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)oc1C ZINC000432836027 1092582841 /nfs/dbraw/zinc/58/28/41/1092582841.db2.gz RNTRCYVLDUWWRR-SJLPKXTDSA-N 2 2 362.514 4.024 20 0 FIADLP COC(=O)c1cc([C@@H](C)[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)oc1C ZINC000432836027 1092582849 /nfs/dbraw/zinc/58/28/49/1092582849.db2.gz RNTRCYVLDUWWRR-SJLPKXTDSA-N 2 2 362.514 4.024 20 0 FIADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000665282210 1092599000 /nfs/dbraw/zinc/59/90/00/1092599000.db2.gz TUXGMRSJZALUEM-NVXWUHKLSA-N 2 2 351.288 4.095 20 0 FIADLP CC(=O)Nc1ccc([C@H](C)[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC000442870276 1092816386 /nfs/dbraw/zinc/81/63/86/1092816386.db2.gz GBFRTWXXAHDIHI-SFHVURJKSA-N 2 2 357.542 4.342 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432926424 1092961873 /nfs/dbraw/zinc/96/18/73/1092961873.db2.gz XICZXXCQHHCHQE-GFCCVEGCSA-N 2 2 356.272 4.321 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432926424 1092961875 /nfs/dbraw/zinc/96/18/75/1092961875.db2.gz XICZXXCQHHCHQE-GFCCVEGCSA-N 2 2 356.272 4.321 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000152116719 1092996739 /nfs/dbraw/zinc/99/67/39/1092996739.db2.gz SKELPXGWDGJRDC-IBGZPJMESA-N 2 2 371.488 4.027 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015284 1092998066 /nfs/dbraw/zinc/99/80/66/1092998066.db2.gz QMDRBHSAFFVSEB-HKBOAZHASA-N 3 2 357.586 4.282 20 0 FIADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015284 1092998070 /nfs/dbraw/zinc/99/80/70/1092998070.db2.gz QMDRBHSAFFVSEB-HKBOAZHASA-N 3 2 357.586 4.282 20 0 FIADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000474067872 1093182595 /nfs/dbraw/zinc/18/25/95/1093182595.db2.gz USJAMZCFDPDZKH-JOCHJYFZSA-N 2 2 361.489 4.452 20 0 FIADLP COc1cc(OC)c([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC000152260282 1093231518 /nfs/dbraw/zinc/23/15/18/1093231518.db2.gz PATCLOOKGPJRGB-AWEZNQCLSA-N 2 2 371.868 4.394 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419285161 1093434184 /nfs/dbraw/zinc/43/41/84/1093434184.db2.gz DGYYFZXGTWZJOY-IRXDYDNUSA-N 2 2 357.542 4.134 20 0 FIADLP CC(C)C[NH+]1CCC([NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168031232 1093615991 /nfs/dbraw/zinc/61/59/91/1093615991.db2.gz YEFZJPMZTYLZBF-PMACEKPBSA-N 3 2 357.586 4.138 20 0 FIADLP C[C@H]1CC([NH+]2CCC([NH3+])(CC3CC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032594 1093667224 /nfs/dbraw/zinc/66/72/24/1093667224.db2.gz IEZNBJONXZAFSD-OALUTQOASA-N 3 2 355.570 4.021 20 0 FIADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000513091081 1093828977 /nfs/dbraw/zinc/82/89/77/1093828977.db2.gz XUXXWRCBLJQCAL-YMPZKCBVSA-N 2 2 361.489 4.313 20 0 FIADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H](C(C)C)[NH+]3CCCCC3)c2)[nH+]c1C ZINC000729338959 1093966388 /nfs/dbraw/zinc/96/63/88/1093966388.db2.gz LXGPLLPUEXZVME-IBGZPJMESA-N 2 2 354.498 4.143 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513226148 1094020825 /nfs/dbraw/zinc/02/08/25/1094020825.db2.gz HKPVNBQHCPFUOJ-XMSQKQJNSA-N 3 2 369.528 4.030 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000513226148 1094020830 /nfs/dbraw/zinc/02/08/30/1094020830.db2.gz HKPVNBQHCPFUOJ-XMSQKQJNSA-N 3 2 369.528 4.030 20 0 FIADLP C[N@H+](Cc1cccc(OC(F)F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513483440 1094158303 /nfs/dbraw/zinc/15/83/03/1094158303.db2.gz CWCUAAOVDKTMBU-UHFFFAOYSA-N 2 2 360.448 4.384 20 0 FIADLP C[N@@H+](Cc1cccc(OC(F)F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513483440 1094158308 /nfs/dbraw/zinc/15/83/08/1094158308.db2.gz CWCUAAOVDKTMBU-UHFFFAOYSA-N 2 2 360.448 4.384 20 0 FIADLP CCOc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000513509518 1094171961 /nfs/dbraw/zinc/17/19/61/1094171961.db2.gz SHTGLANRQUMOAJ-UHFFFAOYSA-N 2 2 368.521 4.190 20 0 FIADLP CCOc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000513509518 1094171964 /nfs/dbraw/zinc/17/19/64/1094171964.db2.gz SHTGLANRQUMOAJ-UHFFFAOYSA-N 2 2 368.521 4.190 20 0 FIADLP C[N@@H+](Cc1csc2ccccc12)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434009958 1094235846 /nfs/dbraw/zinc/23/58/46/1094235846.db2.gz ATYWGPBQDSLGMA-UWJYYQICSA-N 2 2 351.519 4.421 20 0 FIADLP C[N@H+](Cc1csc2ccccc12)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434009958 1094235850 /nfs/dbraw/zinc/23/58/50/1094235850.db2.gz ATYWGPBQDSLGMA-UWJYYQICSA-N 2 2 351.519 4.421 20 0 FIADLP C[NH+](Cc1csc2ccccc12)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434009958 1094235851 /nfs/dbraw/zinc/23/58/51/1094235851.db2.gz ATYWGPBQDSLGMA-UWJYYQICSA-N 2 2 351.519 4.421 20 0 FIADLP C[NH+](Cc1csc2ccccc12)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434009958 1094235857 /nfs/dbraw/zinc/23/58/57/1094235857.db2.gz ATYWGPBQDSLGMA-UWJYYQICSA-N 2 2 351.519 4.421 20 0 FIADLP Cc1cc2[nH]c(C[N@H+](C)C[C@@H]3CC[NH+](C)[C@H]3c3cccnc3)cc2c(C)c1 ZINC000434012798 1094237334 /nfs/dbraw/zinc/23/73/34/1094237334.db2.gz RHFSHDSRCQPIQK-CVDCTZTESA-N 2 2 362.521 4.305 20 0 FIADLP Cc1cc2[nH]c(C[N@@H+](C)C[C@@H]3CC[NH+](C)[C@H]3c3cccnc3)cc2c(C)c1 ZINC000434012798 1094237339 /nfs/dbraw/zinc/23/73/39/1094237339.db2.gz RHFSHDSRCQPIQK-CVDCTZTESA-N 2 2 362.521 4.305 20 0 FIADLP Cc1cc2[nH]c(C[NH+](C)C[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)cc2c(C)c1 ZINC000434012798 1094237344 /nfs/dbraw/zinc/23/73/44/1094237344.db2.gz RHFSHDSRCQPIQK-CVDCTZTESA-N 2 2 362.521 4.305 20 0 FIADLP Cc1cc2[nH]c(C[NH+](C)C[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)cc2c(C)c1 ZINC000434012798 1094237348 /nfs/dbraw/zinc/23/73/48/1094237348.db2.gz RHFSHDSRCQPIQK-CVDCTZTESA-N 2 2 362.521 4.305 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1OC ZINC000513702486 1094385476 /nfs/dbraw/zinc/38/54/76/1094385476.db2.gz JOITXOQGDCCFFL-MRXNPFEDSA-N 2 2 351.450 4.049 20 0 FIADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C3CCC(C4CCC4)CC3)C2)cc1 ZINC000710202764 1094467122 /nfs/dbraw/zinc/46/71/22/1094467122.db2.gz KPEXEXPUNMEBAI-VNXZQDSDSA-N 2 2 356.554 4.226 20 0 FIADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C3CCC(C4CCC4)CC3)C2)cc1 ZINC000710202764 1094467131 /nfs/dbraw/zinc/46/71/31/1094467131.db2.gz KPEXEXPUNMEBAI-VNXZQDSDSA-N 2 2 356.554 4.226 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)[C@H](C)c1nc3ccccc3s1)CCC2 ZINC000474814613 1094660300 /nfs/dbraw/zinc/66/03/00/1094660300.db2.gz XYJQGAVZKXFHSN-JYJNAYRXSA-N 2 2 354.523 4.460 20 0 FIADLP C[C@@H](C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1)Cn1cc[nH+]c1 ZINC000501375325 1094669334 /nfs/dbraw/zinc/66/93/34/1094669334.db2.gz ABBYVMAMIADQQN-INIZCTEOSA-N 2 2 355.432 4.219 20 0 FIADLP Fc1ccc(Br)c(F)c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000501467793 1094722508 /nfs/dbraw/zinc/72/25/08/1094722508.db2.gz PBPNJOCAKPQNKN-UHFFFAOYSA-N 2 2 370.241 4.104 20 0 FIADLP Fc1cccc(F)c1-c1csc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420388442 1094908058 /nfs/dbraw/zinc/90/80/58/1094908058.db2.gz GZAIHYKDVBFLOY-SUMWQHHRSA-N 2 2 363.477 4.052 20 0 FIADLP Fc1cccc(F)c1-c1csc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420388442 1094908061 /nfs/dbraw/zinc/90/80/61/1094908061.db2.gz GZAIHYKDVBFLOY-SUMWQHHRSA-N 2 2 363.477 4.052 20 0 FIADLP Cc1nc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)oc1-c1ccc(Cl)cc1 ZINC000420394359 1094910710 /nfs/dbraw/zinc/91/07/10/1094910710.db2.gz KHPCRCUQPVUUKM-WMZOPIPTSA-N 2 2 359.901 4.267 20 0 FIADLP Cc1nc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)oc1-c1ccc(Cl)cc1 ZINC000420394359 1094910718 /nfs/dbraw/zinc/91/07/18/1094910718.db2.gz KHPCRCUQPVUUKM-WMZOPIPTSA-N 2 2 359.901 4.267 20 0 FIADLP CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000420918460 1095163306 /nfs/dbraw/zinc/16/33/06/1095163306.db2.gz WGJQZHZQMZDHJJ-KRWDZBQOSA-N 2 2 373.566 4.039 20 0 FIADLP CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000420918460 1095163311 /nfs/dbraw/zinc/16/33/11/1095163311.db2.gz WGJQZHZQMZDHJJ-KRWDZBQOSA-N 2 2 373.566 4.039 20 0 FIADLP COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000502724569 1095761388 /nfs/dbraw/zinc/76/13/88/1095761388.db2.gz QKRMQJRUYYYVEY-NVXWUHKLSA-N 2 2 367.331 4.079 20 0 FIADLP COc1ccc(Br)cc1[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000502724569 1095761401 /nfs/dbraw/zinc/76/14/01/1095761401.db2.gz QKRMQJRUYYYVEY-NVXWUHKLSA-N 2 2 367.331 4.079 20 0 FIADLP COc1ccc(Br)cc1[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000502724569 1095761417 /nfs/dbraw/zinc/76/14/17/1095761417.db2.gz QKRMQJRUYYYVEY-NVXWUHKLSA-N 2 2 367.331 4.079 20 0 FIADLP COc1ccc(Br)cc1[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000502724569 1095761427 /nfs/dbraw/zinc/76/14/27/1095761427.db2.gz QKRMQJRUYYYVEY-NVXWUHKLSA-N 2 2 367.331 4.079 20 0 FIADLP COc1ccc([C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C2CC2)c(F)c1 ZINC000421820250 1095953877 /nfs/dbraw/zinc/95/38/77/1095953877.db2.gz LNXLKRAYMCIAGE-QFIPXVFZSA-N 2 2 365.452 4.320 20 0 FIADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)c1ccccc1 ZINC000513761435 1095957309 /nfs/dbraw/zinc/95/73/09/1095957309.db2.gz NBHZVVHLUVECJV-AVRDEDQJSA-N 2 2 363.509 4.001 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+][C@@](C)(Cc2ccccc2)c2ccccc2)s1 ZINC000414570602 1096073075 /nfs/dbraw/zinc/07/30/75/1096073075.db2.gz MZDIDFIPSLZJKY-QFIPXVFZSA-N 2 2 365.546 4.452 20 0 FIADLP Fc1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)cc1 ZINC000273557033 1096274110 /nfs/dbraw/zinc/27/41/10/1096274110.db2.gz ZSBHLLXQXDEWQK-FPOVZHCZSA-N 2 2 351.425 4.021 20 0 FIADLP C[N@@H+]1CC[C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423023100 1096547929 /nfs/dbraw/zinc/54/79/29/1096547929.db2.gz IXTGCFWORMLNGO-ZQEFQCJFSA-N 2 2 373.903 4.206 20 0 FIADLP C[N@H+]1CC[C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423023100 1096547940 /nfs/dbraw/zinc/54/79/40/1096547940.db2.gz IXTGCFWORMLNGO-ZQEFQCJFSA-N 2 2 373.903 4.206 20 0 FIADLP CN1CC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423023100 1096547949 /nfs/dbraw/zinc/54/79/49/1096547949.db2.gz IXTGCFWORMLNGO-ZQEFQCJFSA-N 2 2 373.903 4.206 20 0 FIADLP CN(C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000423057464 1096559764 /nfs/dbraw/zinc/55/97/64/1096559764.db2.gz ZVGBGKKAMFBRFC-CEXWTWQISA-N 2 2 363.427 4.043 20 0 FIADLP COc1cc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000423243716 1096627987 /nfs/dbraw/zinc/62/79/87/1096627987.db2.gz MVPJYOBONATMEH-KXBFYZLASA-N 2 2 372.509 4.186 20 0 FIADLP Cc1ncoc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000894280432 1096633517 /nfs/dbraw/zinc/63/35/17/1096633517.db2.gz JHGFUEMKUBPUFA-YJBOKZPZSA-N 2 2 367.415 4.175 20 0 FIADLP Cc1ncoc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000894280432 1096633520 /nfs/dbraw/zinc/63/35/20/1096633520.db2.gz JHGFUEMKUBPUFA-YJBOKZPZSA-N 2 2 367.415 4.175 20 0 FIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000423505149 1096700550 /nfs/dbraw/zinc/70/05/50/1096700550.db2.gz NWHDBNVJLKPFNX-FXAWDEMLSA-N 2 2 353.466 4.083 20 0 FIADLP Cc1cc(C)c(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC000455508456 1099292889 /nfs/dbraw/zinc/29/28/89/1099292889.db2.gz ZYVIITJEOOURJJ-ROUUACIJSA-N 2 2 366.509 4.134 20 0 FIADLP Cc1cc(C)c(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC000455508456 1099292892 /nfs/dbraw/zinc/29/28/92/1099292892.db2.gz ZYVIITJEOOURJJ-ROUUACIJSA-N 2 2 366.509 4.134 20 0 FIADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000070870152 1099338980 /nfs/dbraw/zinc/33/89/80/1099338980.db2.gz FOYBRUWEOGTFNG-KRWDZBQOSA-N 2 2 364.493 4.429 20 0 FIADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000437126485 1099644866 /nfs/dbraw/zinc/64/48/66/1099644866.db2.gz ODORRWSOEULROW-JOCHJYFZSA-N 2 2 364.537 4.300 20 0 FIADLP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000437126485 1099644870 /nfs/dbraw/zinc/64/48/70/1099644870.db2.gz ODORRWSOEULROW-JOCHJYFZSA-N 2 2 364.537 4.300 20 0 FIADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2nnc(-c3ccccc3)o2)c1 ZINC000079307447 1099721286 /nfs/dbraw/zinc/72/12/86/1099721286.db2.gz IFMMVWBDAUGWHA-KRWDZBQOSA-N 2 2 364.493 4.429 20 0 FIADLP CC[N@@H+](Cc1cccc(O)c1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000508692240 1099839226 /nfs/dbraw/zinc/83/92/26/1099839226.db2.gz AIHOJCKPTOUMSW-UHFFFAOYSA-N 2 2 359.901 4.179 20 0 FIADLP CC[N@H+](Cc1cccc(O)c1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000508692240 1099839231 /nfs/dbraw/zinc/83/92/31/1099839231.db2.gz AIHOJCKPTOUMSW-UHFFFAOYSA-N 2 2 359.901 4.179 20 0 FIADLP CCC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)cc1Cl ZINC000533784265 1099932062 /nfs/dbraw/zinc/93/20/62/1099932062.db2.gz ARRSCTNLLHTCLF-SFHVURJKSA-N 2 2 359.341 4.271 20 0 FIADLP CCc1ccc([C@H](COC)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000508721300 1099938510 /nfs/dbraw/zinc/93/85/10/1099938510.db2.gz PACWOISWEHCOHG-CUWPLCDZSA-N 2 2 356.510 4.030 20 0 FIADLP CCc1ccc([C@H](COC)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000508721300 1099938514 /nfs/dbraw/zinc/93/85/14/1099938514.db2.gz PACWOISWEHCOHG-CUWPLCDZSA-N 2 2 356.510 4.030 20 0 FIADLP C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722823 1099943030 /nfs/dbraw/zinc/94/30/30/1099943030.db2.gz USSRHAMHFFVMLT-AZUAARDMSA-N 2 2 350.510 4.004 20 0 FIADLP C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722823 1099943031 /nfs/dbraw/zinc/94/30/31/1099943031.db2.gz USSRHAMHFFVMLT-AZUAARDMSA-N 2 2 350.510 4.004 20 0 FIADLP COc1cccc(C([NH2+]C2CC[NH+](C3CC3)CC2)c2cccc(OC)c2)c1 ZINC000459419270 1100126280 /nfs/dbraw/zinc/12/62/80/1100126280.db2.gz DWKQWOUODGUOBR-UHFFFAOYSA-N 2 2 366.505 4.010 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[N@@H+]1C ZINC000536681689 1100148565 /nfs/dbraw/zinc/14/85/65/1100148565.db2.gz REDGPXMSHHQSRD-GHTZIAJQSA-N 2 2 368.569 4.143 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[N@H+]1C ZINC000536681689 1100148570 /nfs/dbraw/zinc/14/85/70/1100148570.db2.gz REDGPXMSHHQSRD-GHTZIAJQSA-N 2 2 368.569 4.143 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[NH+]1C ZINC000536681689 1100148578 /nfs/dbraw/zinc/14/85/78/1100148578.db2.gz REDGPXMSHHQSRD-GHTZIAJQSA-N 2 2 368.569 4.143 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[NH+]1C ZINC000536681689 1100148585 /nfs/dbraw/zinc/14/85/85/1100148585.db2.gz REDGPXMSHHQSRD-GHTZIAJQSA-N 2 2 368.569 4.143 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459519434 1100258079 /nfs/dbraw/zinc/25/80/79/1100258079.db2.gz JZCJYQXVFVZWJC-UHFFFAOYSA-N 2 2 373.500 4.245 20 0 FIADLP c1c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)noc1-c1ccccc1 ZINC000425931851 1100306501 /nfs/dbraw/zinc/30/65/01/1100306501.db2.gz NNPRXZZWAJYDFJ-MDNUFGMLSA-N 2 2 373.500 4.342 20 0 FIADLP c1c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)noc1-c1ccccc1 ZINC000425931851 1100306511 /nfs/dbraw/zinc/30/65/11/1100306511.db2.gz NNPRXZZWAJYDFJ-MDNUFGMLSA-N 2 2 373.500 4.342 20 0 FIADLP Cc1ccc2cc([C@H](C)[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)oc2c1 ZINC000426032982 1100700192 /nfs/dbraw/zinc/70/01/92/1100700192.db2.gz AGLQKTVLCVNCCV-MBSDFSHPSA-N 2 2 364.489 4.029 20 0 FIADLP Cc1ccc2cc([C@H](C)[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)oc2c1 ZINC000426032982 1100700194 /nfs/dbraw/zinc/70/01/94/1100700194.db2.gz AGLQKTVLCVNCCV-MBSDFSHPSA-N 2 2 364.489 4.029 20 0 FIADLP Fc1cccc(C2(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)CCCC2)c1F ZINC000426054156 1100741660 /nfs/dbraw/zinc/74/16/60/1100741660.db2.gz GBDPZSYDMRUEKV-UHFFFAOYSA-N 2 2 371.475 4.430 20 0 FIADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414940907 1100857605 /nfs/dbraw/zinc/85/76/05/1100857605.db2.gz LAZQGQDNFXMZDT-HJPURHCSSA-N 2 2 358.489 4.327 20 0 FIADLP Fc1ccccc1COc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000506414319 1100982772 /nfs/dbraw/zinc/98/27/72/1100982772.db2.gz DASOMTDBDVDPNR-UHFFFAOYSA-N 2 2 368.496 4.465 20 0 FIADLP COc1ccc(-c2ccccc2)cc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000506438654 1101022268 /nfs/dbraw/zinc/02/22/68/1101022268.db2.gz KKHZBLUCECONSS-UHFFFAOYSA-N 2 2 350.506 4.422 20 0 FIADLP COc1cc(Cl)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000508624299 1101311199 /nfs/dbraw/zinc/31/11/99/1101311199.db2.gz UTQQGSHDSAVWNV-CYBMUJFWSA-N 2 2 368.308 4.190 20 0 FIADLP COc1cc(Cl)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000508624299 1101311212 /nfs/dbraw/zinc/31/12/12/1101311212.db2.gz UTQQGSHDSAVWNV-CYBMUJFWSA-N 2 2 368.308 4.190 20 0 FIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1 ZINC000537128042 1101482844 /nfs/dbraw/zinc/48/28/44/1101482844.db2.gz QVGOSKMLKRHDNX-UHFFFAOYSA-N 2 2 374.488 4.070 20 0 FIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)c1 ZINC000537128042 1101482855 /nfs/dbraw/zinc/48/28/55/1101482855.db2.gz QVGOSKMLKRHDNX-UHFFFAOYSA-N 2 2 374.488 4.070 20 0 FIADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc1O ZINC000426398296 1101496140 /nfs/dbraw/zinc/49/61/40/1101496140.db2.gz XASFUYQYTSZVIR-NQIIRXRSSA-N 2 2 368.521 4.149 20 0 FIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000178058958 1101515725 /nfs/dbraw/zinc/51/57/25/1101515725.db2.gz LQMCMCKEQKNITG-HOTGVXAUSA-N 2 2 366.534 4.442 20 0 FIADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001168167477 1101813237 /nfs/dbraw/zinc/81/32/37/1101813237.db2.gz PACVMPMZXNNQHV-INIZCTEOSA-N 2 2 358.913 4.231 20 0 FIADLP COCCC1(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)CCCCC1 ZINC000189352134 1101868641 /nfs/dbraw/zinc/86/86/41/1101868641.db2.gz UAZXKOLDDYTWCX-LJQANCHMSA-N 2 2 359.558 4.184 20 0 FIADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC001168170302 1101889004 /nfs/dbraw/zinc/88/90/04/1101889004.db2.gz JHKVAUHEZZTYSH-ZPMCFJSWSA-N 2 2 372.940 4.150 20 0 FIADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC001168170302 1101889012 /nfs/dbraw/zinc/88/90/12/1101889012.db2.gz JHKVAUHEZZTYSH-ZPMCFJSWSA-N 2 2 372.940 4.150 20 0 FIADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC001168170299 1101890459 /nfs/dbraw/zinc/89/04/59/1101890459.db2.gz JHKVAUHEZZTYSH-BULFRSBZSA-N 2 2 372.940 4.150 20 0 FIADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC001168170299 1101890473 /nfs/dbraw/zinc/89/04/73/1101890473.db2.gz JHKVAUHEZZTYSH-BULFRSBZSA-N 2 2 372.940 4.150 20 0 FIADLP CCCCO[C@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1(C)C ZINC000537486359 1102171528 /nfs/dbraw/zinc/17/15/28/1102171528.db2.gz ODJCRYYKQSOSOC-UXHICEINSA-N 2 2 374.573 4.008 20 0 FIADLP c1cn(-c2ccc(-c3noc([C@H]4CCC[NH2+][C@H]4c4ccccc4)n3)cc2)c[nH+]1 ZINC001211848766 1102241362 /nfs/dbraw/zinc/24/13/62/1102241362.db2.gz PAHKQQYQMXVWNG-PMACEKPBSA-N 2 2 371.444 4.131 20 0 FIADLP CCCCOCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001168339477 1102275863 /nfs/dbraw/zinc/27/58/63/1102275863.db2.gz PMADHFBTKKFITE-UHFFFAOYSA-N 2 2 372.475 4.418 20 0 FIADLP CCCCOCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001168339477 1102275874 /nfs/dbraw/zinc/27/58/74/1102275874.db2.gz PMADHFBTKKFITE-UHFFFAOYSA-N 2 2 372.475 4.418 20 0 FIADLP Brc1cc2c(s1)CC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000550797030 1102326459 /nfs/dbraw/zinc/32/64/59/1102326459.db2.gz JSQGDKUSNXJAOI-ORHYLEIMSA-N 2 2 355.345 4.104 20 0 FIADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000532467743 1102376098 /nfs/dbraw/zinc/37/60/98/1102376098.db2.gz HFSTTXJFCGCUTF-HOTGVXAUSA-N 2 2 353.441 4.302 20 0 FIADLP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(Br)c1 ZINC001167969809 1102401759 /nfs/dbraw/zinc/40/17/59/1102401759.db2.gz FAIVVPGBHAYUCF-ALOPSCKCSA-N 2 2 367.306 4.083 20 0 FIADLP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(Br)c1 ZINC001167969809 1102401779 /nfs/dbraw/zinc/40/17/79/1102401779.db2.gz FAIVVPGBHAYUCF-ALOPSCKCSA-N 2 2 367.306 4.083 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)CC1 ZINC000532512168 1102446017 /nfs/dbraw/zinc/44/60/17/1102446017.db2.gz LNCYOSOBGQBACG-FQEVSTJZSA-N 2 2 364.537 4.088 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)CC1 ZINC000532512168 1102446028 /nfs/dbraw/zinc/44/60/28/1102446028.db2.gz LNCYOSOBGQBACG-FQEVSTJZSA-N 2 2 364.537 4.088 20 0 FIADLP CC(=O)Nc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318573 1102564485 /nfs/dbraw/zinc/56/44/85/1102564485.db2.gz VFTGRJXTRLOZMI-XMSQKQJNSA-N 2 2 365.521 4.130 20 0 FIADLP CC(=O)Nc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318573 1102564493 /nfs/dbraw/zinc/56/44/93/1102564493.db2.gz VFTGRJXTRLOZMI-XMSQKQJNSA-N 2 2 365.521 4.130 20 0 FIADLP CC(=O)Nc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318573 1102564501 /nfs/dbraw/zinc/56/45/01/1102564501.db2.gz VFTGRJXTRLOZMI-XMSQKQJNSA-N 2 2 365.521 4.130 20 0 FIADLP CC(=O)Nc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318573 1102564505 /nfs/dbraw/zinc/56/45/05/1102564505.db2.gz VFTGRJXTRLOZMI-XMSQKQJNSA-N 2 2 365.521 4.130 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)N(C)C)cc1 ZINC000551014269 1102790518 /nfs/dbraw/zinc/79/05/18/1102790518.db2.gz QVTVMSDUIKGDRF-ZLNRFVROSA-N 2 2 351.538 4.023 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)N(C)C)cc1 ZINC000551014269 1102790525 /nfs/dbraw/zinc/79/05/25/1102790525.db2.gz QVTVMSDUIKGDRF-ZLNRFVROSA-N 2 2 351.538 4.023 20 0 FIADLP Brc1cc2c(s1)CC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000551029475 1102809748 /nfs/dbraw/zinc/80/97/48/1102809748.db2.gz FYUZRRXXALVQPI-CYBMUJFWSA-N 2 2 366.328 4.375 20 0 FIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)CCc1c[nH+]cn1C ZINC000459346027 1102881578 /nfs/dbraw/zinc/88/15/78/1102881578.db2.gz TXWRWYWUEXELQG-INIZCTEOSA-N 2 2 354.523 4.396 20 0 FIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459346027 1102881592 /nfs/dbraw/zinc/88/15/92/1102881592.db2.gz TXWRWYWUEXELQG-INIZCTEOSA-N 2 2 354.523 4.396 20 0 FIADLP Cn1c[nH+]cc1CC[N@@H+]1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000459350653 1102891098 /nfs/dbraw/zinc/89/10/98/1102891098.db2.gz WAONPGRQOFXQRA-NRFANRHFSA-N 2 2 351.881 4.416 20 0 FIADLP Cn1c[nH+]cc1CC[N@H+]1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000459350653 1102891106 /nfs/dbraw/zinc/89/11/06/1102891106.db2.gz WAONPGRQOFXQRA-NRFANRHFSA-N 2 2 351.881 4.416 20 0 FIADLP CC1(C)[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C[C@H]1Oc1ccccc1 ZINC000551540959 1103319402 /nfs/dbraw/zinc/31/94/02/1103319402.db2.gz IFFUVCRRBCPNIE-FGZHOGPDSA-N 2 2 361.489 4.267 20 0 FIADLP Cc1csc(C2([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)CCC2)n1 ZINC000507459403 1103405139 /nfs/dbraw/zinc/40/51/39/1103405139.db2.gz FWVLJHLOQZRDKY-SLFFLAALSA-N 2 2 367.562 4.331 20 0 FIADLP Cc1csc(C2([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CCC2)n1 ZINC000507459403 1103405148 /nfs/dbraw/zinc/40/51/48/1103405148.db2.gz FWVLJHLOQZRDKY-SLFFLAALSA-N 2 2 367.562 4.331 20 0 FIADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1cccc(Cl)c1 ZINC000507467112 1103413196 /nfs/dbraw/zinc/41/31/96/1103413196.db2.gz DVNPFFPQOJJMIV-ZDUSSCGKSA-N 2 2 364.839 4.114 20 0 FIADLP c1cc([C@@H]2CCC[NH+]2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cs1 ZINC000551694063 1103520218 /nfs/dbraw/zinc/52/02/18/1103520218.db2.gz MEHWZFHOXSPPQN-SFTDATJTSA-N 2 2 356.535 4.176 20 0 FIADLP c1cc([C@@H]2CCC[NH+]2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000551694063 1103520224 /nfs/dbraw/zinc/52/02/24/1103520224.db2.gz MEHWZFHOXSPPQN-SFTDATJTSA-N 2 2 356.535 4.176 20 0 FIADLP c1cc([C@@H]2CCC[N@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cs1 ZINC000551694063 1103520232 /nfs/dbraw/zinc/52/02/32/1103520232.db2.gz MEHWZFHOXSPPQN-SFTDATJTSA-N 2 2 356.535 4.176 20 0 FIADLP c1cc([C@@H]2CCC[N@@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cs1 ZINC000551694063 1103520243 /nfs/dbraw/zinc/52/02/43/1103520243.db2.gz MEHWZFHOXSPPQN-SFTDATJTSA-N 2 2 356.535 4.176 20 0 FIADLP Fc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccc(Cl)cc2)cc1 ZINC000519615950 1103633977 /nfs/dbraw/zinc/63/39/77/1103633977.db2.gz SZAGQXBGFCXSDT-YLJYHZDGSA-N 2 2 355.844 4.439 20 0 FIADLP C[C@H](Cc1ccccc1F)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000188047380 1103807552 /nfs/dbraw/zinc/80/75/52/1103807552.db2.gz NMFZWHPXQDWGPK-RTBURBONSA-N 2 2 370.512 4.246 20 0 FIADLP COC(=O)c1coc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000519787732 1103872329 /nfs/dbraw/zinc/87/23/29/1103872329.db2.gz CXVQTGGHIQGYMU-MJGOQNOKSA-N 2 2 370.493 4.019 20 0 FIADLP COC(=O)c1coc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000519787732 1103872337 /nfs/dbraw/zinc/87/23/37/1103872337.db2.gz CXVQTGGHIQGYMU-MJGOQNOKSA-N 2 2 370.493 4.019 20 0 FIADLP Clc1cccc(Cl)c1OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441395964 1104330465 /nfs/dbraw/zinc/33/04/65/1104330465.db2.gz BCOHUVOTCBNBIQ-KSSFIOAISA-N 2 2 369.336 4.321 20 0 FIADLP Clc1cccc(Cl)c1OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441395964 1104330475 /nfs/dbraw/zinc/33/04/75/1104330475.db2.gz BCOHUVOTCBNBIQ-KSSFIOAISA-N 2 2 369.336 4.321 20 0 FIADLP Clc1cccc(Cl)c1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441395964 1104330483 /nfs/dbraw/zinc/33/04/83/1104330483.db2.gz BCOHUVOTCBNBIQ-KSSFIOAISA-N 2 2 369.336 4.321 20 0 FIADLP Clc1cccc(Cl)c1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441395964 1104330491 /nfs/dbraw/zinc/33/04/91/1104330491.db2.gz BCOHUVOTCBNBIQ-KSSFIOAISA-N 2 2 369.336 4.321 20 0 FIADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000536303330 1104639354 /nfs/dbraw/zinc/63/93/54/1104639354.db2.gz YQRHZHKGJXJXBB-CXAGYDPISA-N 2 2 369.322 4.286 20 0 FIADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000536303330 1104639358 /nfs/dbraw/zinc/63/93/58/1104639358.db2.gz YQRHZHKGJXJXBB-CXAGYDPISA-N 2 2 369.322 4.286 20 0 FIADLP CC[N@H+](CCOc1cccc(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441616970 1105033474 /nfs/dbraw/zinc/03/34/74/1105033474.db2.gz CESYZBSEBQZDDK-UHFFFAOYSA-N 2 2 373.928 4.352 20 0 FIADLP CC[N@@H+](CCOc1cccc(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441616970 1105033478 /nfs/dbraw/zinc/03/34/78/1105033478.db2.gz CESYZBSEBQZDDK-UHFFFAOYSA-N 2 2 373.928 4.352 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCc3ncc(C(F)(F)F)cc31)CCC2 ZINC000427710519 1105255189 /nfs/dbraw/zinc/25/51/89/1105255189.db2.gz FJVOSMZSIKXXOK-CZUORRHYSA-N 2 2 364.415 4.150 20 0 FIADLP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000427874417 1105299176 /nfs/dbraw/zinc/29/91/76/1105299176.db2.gz HEYBZETYAJGTAV-KEYYUXOJSA-N 2 2 350.293 4.431 20 0 FIADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000427891856 1105312673 /nfs/dbraw/zinc/31/26/73/1105312673.db2.gz FGVGOFOICIXXFD-OXQOHEQNSA-N 2 2 365.452 4.267 20 0 FIADLP COCCCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000475356425 1106753680 /nfs/dbraw/zinc/75/36/80/1106753680.db2.gz SZXYXCDZQMYPSU-NRFANRHFSA-N 2 2 353.510 4.198 20 0 FIADLP Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CC[NH2+]C24CCC4)CCC3)cc1 ZINC000530221211 1106914383 /nfs/dbraw/zinc/91/43/83/1106914383.db2.gz OTXDQXPUBXJOBP-RDJZCZTQSA-N 2 2 357.498 4.201 20 0 FIADLP Brc1cccc2c(N3CCC[C@H]([NH+]4CCCC4)C3)cc[nH+]c12 ZINC000301235218 1106969234 /nfs/dbraw/zinc/96/92/34/1106969234.db2.gz HFTLCDWZUJQXKC-AWEZNQCLSA-N 2 2 360.299 4.062 20 0 FIADLP Cc1nc(C[NH+]2CCC(CNc3cc[nH+]c4cc(F)ccc34)CC2)oc1C ZINC000301240061 1106969864 /nfs/dbraw/zinc/96/98/64/1106969864.db2.gz FSHQFZIWTZQRIG-UHFFFAOYSA-N 2 2 368.456 4.303 20 0 FIADLP CC[N@H+](C[C@@H]1CCC2(CCCC2)O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000530464123 1107045506 /nfs/dbraw/zinc/04/55/06/1107045506.db2.gz DXMQRNMTRZZWJX-FQEVSTJZSA-N 2 2 357.542 4.112 20 0 FIADLP CC[N@@H+](C[C@@H]1CCC2(CCCC2)O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000530464123 1107045520 /nfs/dbraw/zinc/04/55/20/1107045520.db2.gz DXMQRNMTRZZWJX-FQEVSTJZSA-N 2 2 357.542 4.112 20 0 FIADLP Cc1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301617723 1107090141 /nfs/dbraw/zinc/09/01/41/1107090141.db2.gz AXWAUGQNTKPEGK-DJJJIMSYSA-N 2 2 372.419 4.429 20 0 FIADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000302688217 1107407025 /nfs/dbraw/zinc/40/70/25/1107407025.db2.gz YUMMLJOCVLKFJE-QFBILLFUSA-N 2 2 351.494 4.005 20 0 FIADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000302688217 1107407030 /nfs/dbraw/zinc/40/70/30/1107407030.db2.gz YUMMLJOCVLKFJE-QFBILLFUSA-N 2 2 351.494 4.005 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302813378 1107454441 /nfs/dbraw/zinc/45/44/41/1107454441.db2.gz ZRTHJHHVSSFMSO-GOSISDBHSA-N 2 2 365.525 4.063 20 0 FIADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302813378 1107454457 /nfs/dbraw/zinc/45/44/57/1107454457.db2.gz ZRTHJHHVSSFMSO-GOSISDBHSA-N 2 2 365.525 4.063 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302813378 1107454466 /nfs/dbraw/zinc/45/44/66/1107454466.db2.gz ZRTHJHHVSSFMSO-GOSISDBHSA-N 2 2 365.525 4.063 20 0 FIADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302813378 1107454481 /nfs/dbraw/zinc/45/44/81/1107454481.db2.gz ZRTHJHHVSSFMSO-GOSISDBHSA-N 2 2 365.525 4.063 20 0 FIADLP C[C@@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444545596 1107981691 /nfs/dbraw/zinc/98/16/91/1107981691.db2.gz LNDZJDTZLYWYFY-BBWFWOEESA-N 2 2 366.509 4.086 20 0 FIADLP C[C@@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444545596 1107981695 /nfs/dbraw/zinc/98/16/95/1107981695.db2.gz LNDZJDTZLYWYFY-BBWFWOEESA-N 2 2 366.509 4.086 20 0 FIADLP Cn1ccnc1[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000453060311 1108137527 /nfs/dbraw/zinc/13/75/27/1108137527.db2.gz CAYYTWHOKRGHBN-FQEVSTJZSA-N 2 2 368.912 4.014 20 0 FIADLP Cc1ccc2[nH+]cc(CNc3[nH+]ccn3Cc3ccccc3Cl)n2c1 ZINC000508508360 1108142492 /nfs/dbraw/zinc/14/24/92/1108142492.db2.gz XRDGAGIEDFAFRU-UHFFFAOYSA-N 2 2 351.841 4.153 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000453263033 1108335758 /nfs/dbraw/zinc/33/57/58/1108335758.db2.gz YJVAKJLDRWHCLO-GDBMZVCRSA-N 2 2 360.299 4.087 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3cccs3)CC2)cc1 ZINC000453319605 1108407393 /nfs/dbraw/zinc/40/73/93/1108407393.db2.gz DKUALSFXCARTFG-OAHLLOKOSA-N 2 2 357.523 4.022 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3ccsc3)CC2)cc1 ZINC000453318771 1108409928 /nfs/dbraw/zinc/40/99/28/1108409928.db2.gz CCILGGGCILRQPN-HNNXBMFYSA-N 2 2 357.523 4.022 20 0 FIADLP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453321896 1108414433 /nfs/dbraw/zinc/41/44/33/1108414433.db2.gz HSSNZCGFHAKIJO-XTQVGHSUSA-N 2 2 371.569 4.414 20 0 FIADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)o1 ZINC000453326752 1108417892 /nfs/dbraw/zinc/41/78/92/1108417892.db2.gz NVRWECICBOWELL-MRXNPFEDSA-N 2 2 369.509 4.116 20 0 FIADLP OCC1([C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2)CCCC1 ZINC000453624975 1108650019 /nfs/dbraw/zinc/65/00/19/1108650019.db2.gz YOMDEIZCLKJGCK-QFIPXVFZSA-N 2 2 361.489 4.256 20 0 FIADLP OCC1([C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c2ccccc2)CCCC1 ZINC000453615233 1108661319 /nfs/dbraw/zinc/66/13/19/1108661319.db2.gz MLMDGJAFJCLNJF-FQEVSTJZSA-N 2 2 367.518 4.317 20 0 FIADLP C[C@H](CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000193815063 1108796968 /nfs/dbraw/zinc/79/69/68/1108796968.db2.gz BYKFZEYEBZFBRG-HXUWFJFHSA-N 2 2 351.538 4.214 20 0 FIADLP C[C@H](CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000193815063 1108796978 /nfs/dbraw/zinc/79/69/78/1108796978.db2.gz BYKFZEYEBZFBRG-HXUWFJFHSA-N 2 2 351.538 4.214 20 0 FIADLP COc1cc2c(cc1C[NH2+][C@H](C)c1cccc(-n3cc[nH+]c3)c1)O[C@H](C)C2 ZINC000525194832 1109303910 /nfs/dbraw/zinc/30/39/10/1109303910.db2.gz CJQPXYBYLFCEQK-HZPDHXFCSA-N 2 2 363.461 4.055 20 0 FIADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCn3cc(C)[nH+]c31)CCCS2 ZINC000446822982 1109350203 /nfs/dbraw/zinc/35/02/03/1109350203.db2.gz HLJWLQNAUVFOGM-MAUKXSAKSA-N 2 2 357.523 4.294 20 0 FIADLP Cc1ccc(-c2ncc(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)s2)o1 ZINC000447058918 1109426573 /nfs/dbraw/zinc/42/65/73/1109426573.db2.gz JUDFFKNHHKFZKA-UHFFFAOYSA-N 2 2 369.490 4.458 20 0 FIADLP COc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)ccc1OC(C)C ZINC000447086634 1109432615 /nfs/dbraw/zinc/43/26/15/1109432615.db2.gz AYYKGWLDLLYNJN-UHFFFAOYSA-N 2 2 370.493 4.229 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000447849473 1109658872 /nfs/dbraw/zinc/65/88/72/1109658872.db2.gz IAPGSUIAOQCWRK-GHTZIAJQSA-N 2 2 360.505 4.077 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000447849473 1109658874 /nfs/dbraw/zinc/65/88/74/1109658874.db2.gz IAPGSUIAOQCWRK-GHTZIAJQSA-N 2 2 360.505 4.077 20 0 FIADLP CC(C)(C)c1cnc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000448369545 1109779511 /nfs/dbraw/zinc/77/95/11/1109779511.db2.gz ZUWHFYKGIDVIQL-UHFFFAOYSA-N 2 2 358.555 4.353 20 0 FIADLP Cc1ccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cs2)o1 ZINC000544421649 1109779520 /nfs/dbraw/zinc/77/95/20/1109779520.db2.gz NDCVVINHRSWLJO-JKSUJKDBSA-N 2 2 359.539 4.454 20 0 FIADLP Cc1ccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cs2)o1 ZINC000544421649 1109779525 /nfs/dbraw/zinc/77/95/25/1109779525.db2.gz NDCVVINHRSWLJO-JKSUJKDBSA-N 2 2 359.539 4.454 20 0 FIADLP C[C@@H]([NH2+]Cc1ccsc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000527691564 1109805365 /nfs/dbraw/zinc/80/53/65/1109805365.db2.gz NNKSILGUPUDFMJ-OCCSQVGLSA-N 2 2 357.361 4.253 20 0 FIADLP C[C@@H]([NH2+]Cc1ccsc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000527691564 1109805369 /nfs/dbraw/zinc/80/53/69/1109805369.db2.gz NNKSILGUPUDFMJ-OCCSQVGLSA-N 2 2 357.361 4.253 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527898893 1109853887 /nfs/dbraw/zinc/85/38/87/1109853887.db2.gz WWOMRTVWVFANDG-FPOVZHCZSA-N 2 2 374.532 4.260 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527898893 1109853892 /nfs/dbraw/zinc/85/38/92/1109853892.db2.gz WWOMRTVWVFANDG-FPOVZHCZSA-N 2 2 374.532 4.260 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000527948476 1109866939 /nfs/dbraw/zinc/86/69/39/1109866939.db2.gz LOSPRMZETFXKHA-KKSFZXQISA-N 2 2 370.541 4.028 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000527948476 1109866942 /nfs/dbraw/zinc/86/69/42/1109866942.db2.gz LOSPRMZETFXKHA-KKSFZXQISA-N 2 2 370.541 4.028 20 0 FIADLP COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000527973854 1109872089 /nfs/dbraw/zinc/87/20/89/1109872089.db2.gz UYFRHEOSNVBFDD-CVEARBPZSA-N 2 2 351.450 4.301 20 0 FIADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CC[NH+]2C2CCCC2)CC1 ZINC000527999163 1109881292 /nfs/dbraw/zinc/88/12/92/1109881292.db2.gz FOAIMIZCOASFDK-YDPRHXJPSA-N 3 2 355.570 4.036 20 0 FIADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CC[NH+]2C2CCCC2)CC1 ZINC000527999163 1109881296 /nfs/dbraw/zinc/88/12/96/1109881296.db2.gz FOAIMIZCOASFDK-YDPRHXJPSA-N 3 2 355.570 4.036 20 0 FIADLP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527999163 1109881299 /nfs/dbraw/zinc/88/12/99/1109881299.db2.gz FOAIMIZCOASFDK-YDPRHXJPSA-N 3 2 355.570 4.036 20 0 FIADLP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527999163 1109881302 /nfs/dbraw/zinc/88/13/02/1109881302.db2.gz FOAIMIZCOASFDK-YDPRHXJPSA-N 3 2 355.570 4.036 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC(Nc3[nH+]ccc4ccccc43)CC2)cc1 ZINC000528028218 1109888144 /nfs/dbraw/zinc/88/81/44/1109888144.db2.gz NICXSXYJJPKPLY-UHFFFAOYSA-N 2 2 374.488 4.270 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)C[C@H]1C ZINC000449026363 1109958857 /nfs/dbraw/zinc/95/88/57/1109958857.db2.gz FQTOHUOWYBENRG-ZIAGYGMSSA-N 2 2 365.493 4.393 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)C[C@H]1C ZINC000449026363 1109958861 /nfs/dbraw/zinc/95/88/61/1109958861.db2.gz FQTOHUOWYBENRG-ZIAGYGMSSA-N 2 2 365.493 4.393 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)C[C@H]1C ZINC000449026363 1109958862 /nfs/dbraw/zinc/95/88/62/1109958862.db2.gz FQTOHUOWYBENRG-ZIAGYGMSSA-N 2 2 365.493 4.393 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)C[C@H]1C ZINC000449026363 1109958863 /nfs/dbraw/zinc/95/88/63/1109958863.db2.gz FQTOHUOWYBENRG-ZIAGYGMSSA-N 2 2 365.493 4.393 20 0 FIADLP CC[N@@H+](Cc1ccnn1C1CCCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449034669 1109961411 /nfs/dbraw/zinc/96/14/11/1109961411.db2.gz DLKMXPSEDSGWOG-NRFANRHFSA-N 2 2 366.553 4.342 20 0 FIADLP CC[N@H+](Cc1ccnn1C1CCCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449034669 1109961414 /nfs/dbraw/zinc/96/14/14/1109961414.db2.gz DLKMXPSEDSGWOG-NRFANRHFSA-N 2 2 366.553 4.342 20 0 FIADLP CC[NH+](Cc1ccnn1C1CCCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449034669 1109961416 /nfs/dbraw/zinc/96/14/16/1109961416.db2.gz DLKMXPSEDSGWOG-NRFANRHFSA-N 2 2 366.553 4.342 20 0 FIADLP CC[NH+](Cc1ccnn1C1CCCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449034669 1109961418 /nfs/dbraw/zinc/96/14/18/1109961418.db2.gz DLKMXPSEDSGWOG-NRFANRHFSA-N 2 2 366.553 4.342 20 0 FIADLP C[N@@H+](Cc1cccnc1C(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000528398483 1109982494 /nfs/dbraw/zinc/98/24/94/1109982494.db2.gz XFZZDAVXANJIRW-KRWDZBQOSA-N 2 2 363.427 4.054 20 0 FIADLP C[N@H+](Cc1cccnc1C(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000528398483 1109982496 /nfs/dbraw/zinc/98/24/96/1109982496.db2.gz XFZZDAVXANJIRW-KRWDZBQOSA-N 2 2 363.427 4.054 20 0 FIADLP C[NH+](Cc1cccnc1C(F)(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528398483 1109982498 /nfs/dbraw/zinc/98/24/98/1109982498.db2.gz XFZZDAVXANJIRW-KRWDZBQOSA-N 2 2 363.427 4.054 20 0 FIADLP C[NH+](Cc1cccnc1C(F)(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528398483 1109982500 /nfs/dbraw/zinc/98/25/00/1109982500.db2.gz XFZZDAVXANJIRW-KRWDZBQOSA-N 2 2 363.427 4.054 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(=O)Nc1ccccc1 ZINC000449145200 1109985422 /nfs/dbraw/zinc/98/54/22/1109985422.db2.gz KWDSZLMHXHOOPO-QGZVFWFLSA-N 2 2 359.558 4.282 20 0 FIADLP COc1cccc(Sc2ccccc2C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000449258479 1110008213 /nfs/dbraw/zinc/00/82/13/1110008213.db2.gz NDVSYKGWUXQBIT-KRWDZBQOSA-N 2 2 365.502 4.148 20 0 FIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnn1C1CCCC1 ZINC000449306588 1110021957 /nfs/dbraw/zinc/02/19/57/1110021957.db2.gz LQZWNPILJQYMHH-QFIPXVFZSA-N 2 2 366.553 4.389 20 0 FIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnn1C1CCCC1 ZINC000449306588 1110021963 /nfs/dbraw/zinc/02/19/63/1110021963.db2.gz LQZWNPILJQYMHH-QFIPXVFZSA-N 2 2 366.553 4.389 20 0 FIADLP c1cc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)n(C2CCCC2)n1 ZINC000449332285 1110029296 /nfs/dbraw/zinc/02/92/96/1110029296.db2.gz QTDCBVZAFYGMAN-FGZHOGPDSA-N 2 2 361.493 4.213 20 0 FIADLP COc1cc(C)c(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)cc1OC ZINC000449350666 1110038564 /nfs/dbraw/zinc/03/85/64/1110038564.db2.gz KZWLXWUCSJDJTH-UHFFFAOYSA-N 2 2 371.868 4.141 20 0 FIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000449352926 1110047495 /nfs/dbraw/zinc/04/74/95/1110047495.db2.gz ZKXJBGMNPWBCKI-UHFFFAOYSA-N 2 2 359.901 4.355 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CC(C)(C)C[C@H]3C)CC2)cc1 ZINC000449519904 1110097408 /nfs/dbraw/zinc/09/74/08/1110097408.db2.gz CLENQAQOAJUSEK-IERDGZPVSA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CC(C)(C)C[C@@H]3C)CC2)cc1 ZINC000449519906 1110097599 /nfs/dbraw/zinc/09/75/99/1110097599.db2.gz CLENQAQOAJUSEK-KKSFZXQISA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC(C)(C)C[C@H]3C)CC2)cc1 ZINC000449519905 1110097758 /nfs/dbraw/zinc/09/77/58/1110097758.db2.gz CLENQAQOAJUSEK-IIBYNOLFSA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC[C@@H]3C3CC3)CC2)cc1 ZINC000449525415 1110099305 /nfs/dbraw/zinc/09/93/05/1110099305.db2.gz RWWVYUTVIZDZOL-PKTZIBPZSA-N 2 2 369.553 4.168 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H](C(C)C)C3)CC2)cc1 ZINC000449526654 1110099350 /nfs/dbraw/zinc/09/93/50/1110099350.db2.gz XAQODYXQGRHXLF-OFNKIYASSA-N 2 2 371.569 4.414 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3C(C)C)CC2)cc1 ZINC000449526613 1110099402 /nfs/dbraw/zinc/09/94/02/1110099402.db2.gz WTTDBYOGPOQOJE-FGZHOGPDSA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(C)c3C)CC2)cc1 ZINC000449525829 1110099445 /nfs/dbraw/zinc/09/94/45/1110099445.db2.gz XTZCFMOCINHDCE-UHFFFAOYSA-N 2 2 365.521 4.016 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000449526691 1110100152 /nfs/dbraw/zinc/10/01/52/1110100152.db2.gz XKUDVQQIHAHRPX-YLJYHZDGSA-N 2 2 357.542 4.025 20 0 FIADLP C[NH+](C)Cc1nc(CSCCNc2cccc(C3=[NH+]CCC3)c2)cs1 ZINC001168112537 1110157553 /nfs/dbraw/zinc/15/75/53/1110157553.db2.gz WRBHFHGMXVFMBW-UHFFFAOYSA-N 2 2 374.579 4.133 20 0 FIADLP Fc1cc2[nH+]ccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2cc1Br ZINC000450254794 1110269321 /nfs/dbraw/zinc/26/93/21/1110269321.db2.gz WEYNSSGAHRCRTP-VXGBXAGGSA-N 2 2 364.262 4.175 20 0 FIADLP Fc1cc2[nH+]ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2cc1Br ZINC000450254794 1110269324 /nfs/dbraw/zinc/26/93/24/1110269324.db2.gz WEYNSSGAHRCRTP-VXGBXAGGSA-N 2 2 364.262 4.175 20 0 FIADLP Fc1cc2[nH+]ccc(NCC3([NH+]4CCCC4)CCOCC3)c2cc1Cl ZINC000450316623 1110280955 /nfs/dbraw/zinc/28/09/55/1110280955.db2.gz ZJCBXDXUSWYEDI-UHFFFAOYSA-N 2 2 363.864 4.084 20 0 FIADLP Cc1cccc2c1[C@H](C)C[C@@H]2Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000538559897 1111194112 /nfs/dbraw/zinc/19/41/12/1111194112.db2.gz OHLZIEJRQZOHPU-POAQFYNOSA-N 2 2 350.510 4.191 20 0 FIADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(Cl)c1 ZINC000538589350 1111210670 /nfs/dbraw/zinc/21/06/70/1111210670.db2.gz ZGEHZJIFZMYONG-OAHLLOKOSA-N 2 2 358.917 4.439 20 0 FIADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(F)c(F)c1 ZINC000538590103 1111211656 /nfs/dbraw/zinc/21/16/56/1111211656.db2.gz GDIRTVQZROWQMA-CQSZACIVSA-N 2 2 360.452 4.063 20 0 FIADLP CC[C@H](Cc1ccccc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538589844 1111211997 /nfs/dbraw/zinc/21/19/97/1111211997.db2.gz CIKXBYQPMPQTTD-LJQANCHMSA-N 2 2 352.526 4.045 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1 ZINC000539087524 1111414857 /nfs/dbraw/zinc/41/48/57/1111414857.db2.gz RMXNQEIITNCIRL-YHYVQYDKSA-N 2 2 356.485 4.156 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1 ZINC000539087524 1111414860 /nfs/dbraw/zinc/41/48/60/1111414860.db2.gz RMXNQEIITNCIRL-YHYVQYDKSA-N 2 2 356.485 4.156 20 0 FIADLP C[C@H](CCc1ccccc1)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000539367272 1111531903 /nfs/dbraw/zinc/53/19/03/1111531903.db2.gz ILDVPDPTTWUERP-OAQYLSRUSA-N 2 2 365.565 4.289 20 0 FIADLP C[C@H](CCc1ccccc1)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000539367272 1111531905 /nfs/dbraw/zinc/53/19/05/1111531905.db2.gz ILDVPDPTTWUERP-OAQYLSRUSA-N 2 2 365.565 4.289 20 0 FIADLP Cc1cc([C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)c2cccnc2)ccc1F ZINC000477917970 1111609229 /nfs/dbraw/zinc/60/92/29/1111609229.db2.gz OMTDBCUAZCXWLV-OAQYLSRUSA-N 2 2 355.501 4.330 20 0 FIADLP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1Cl ZINC000478038443 1111650988 /nfs/dbraw/zinc/65/09/88/1111650988.db2.gz CWOXFIRVKOITSB-HXUWFJFHSA-N 2 2 371.912 4.005 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)Cc1ccc(Br)cc1)CCC2 ZINC000479268129 1111982664 /nfs/dbraw/zinc/98/26/64/1111982664.db2.gz YSNNJWPDSLFYPP-CZUORRHYSA-N 2 2 362.315 4.052 20 0 FIADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479473753 1112044123 /nfs/dbraw/zinc/04/41/23/1112044123.db2.gz YLTGEVVIYJYURD-ODIFPOPNSA-N 2 2 370.459 4.460 20 0 FIADLP c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CC([NH+]3CCCCC3)C1)CCCC2 ZINC000479523766 1112052119 /nfs/dbraw/zinc/05/21/19/1112052119.db2.gz GFCBBRCEEBIIPW-QETWGEEDSA-N 2 2 354.538 4.386 20 0 FIADLP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CCC2 ZINC000479528659 1112053707 /nfs/dbraw/zinc/05/37/07/1112053707.db2.gz QCAWJALHVCMEAU-JTTJXQCZSA-N 2 2 353.432 4.084 20 0 FIADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000479853462 1112162787 /nfs/dbraw/zinc/16/27/87/1112162787.db2.gz PYGYLSFKHMOQJE-WMZHIEFXSA-N 2 2 360.505 4.360 20 0 FIADLP CC(C)[NH2+]C1CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000667571325 1112186915 /nfs/dbraw/zinc/18/69/15/1112186915.db2.gz SLJRAMGMFFBZDR-UHFFFAOYSA-N 2 2 351.288 4.158 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+](C)Cc1ccccc1 ZINC000480148051 1112302413 /nfs/dbraw/zinc/30/24/13/1112302413.db2.gz PQIWXWQFOQNZJG-URXFXBBRSA-N 3 2 365.565 4.009 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+](C)Cc1ccccc1 ZINC000480148051 1112302418 /nfs/dbraw/zinc/30/24/18/1112302418.db2.gz PQIWXWQFOQNZJG-URXFXBBRSA-N 3 2 365.565 4.009 20 0 FIADLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000480148051 1112302422 /nfs/dbraw/zinc/30/24/22/1112302422.db2.gz PQIWXWQFOQNZJG-URXFXBBRSA-N 3 2 365.565 4.009 20 0 FIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(Br)o2)c(C)c1 ZINC000480289187 1112369349 /nfs/dbraw/zinc/36/93/49/1112369349.db2.gz MNSVSNSMARZJHU-KRWDZBQOSA-N 2 2 374.282 4.387 20 0 FIADLP C[C@@H]([NH2+]Cc1ccsc1Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000480372386 1112408104 /nfs/dbraw/zinc/40/81/04/1112408104.db2.gz ZESDVTKUFBONQO-CYBMUJFWSA-N 2 2 367.921 4.143 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OCC(F)(F)F)cc1 ZINC000480773415 1112598196 /nfs/dbraw/zinc/59/81/96/1112598196.db2.gz SZGFKNUVMYCUHB-CQSZACIVSA-N 2 2 367.415 4.054 20 0 FIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000480774306 1112599372 /nfs/dbraw/zinc/59/93/72/1112599372.db2.gz ZFYKBPDKNALYST-XJKSGUPXSA-N 2 2 356.470 4.201 20 0 FIADLP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CCc4[nH+]c[nH]c4C2)CCC3)cc1 ZINC000554998783 1112610412 /nfs/dbraw/zinc/61/04/12/1112610412.db2.gz UWYOUKQPQDNIBN-WBVHZDCISA-N 2 2 364.518 4.366 20 0 FIADLP CCCc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000481315051 1112898512 /nfs/dbraw/zinc/89/85/12/1112898512.db2.gz BOSOGRBDSYPOFP-IBGZPJMESA-N 2 2 352.522 4.322 20 0 FIADLP COc1ccc(OC)c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000481339671 1112906256 /nfs/dbraw/zinc/90/62/56/1112906256.db2.gz QZEBVKTWUIRHHI-GOSISDBHSA-N 2 2 368.521 4.327 20 0 FIADLP CC1(C)CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc21 ZINC000481920805 1113132709 /nfs/dbraw/zinc/13/27/09/1113132709.db2.gz VPSAFPXGFMASRX-QHCPKHFHSA-N 2 2 364.533 4.421 20 0 FIADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000481927149 1113137358 /nfs/dbraw/zinc/13/73/58/1113137358.db2.gz ZGVOBRVFSBZTPP-AWEZNQCLSA-N 2 2 351.416 4.002 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)cc1 ZINC000481947675 1113142371 /nfs/dbraw/zinc/14/23/71/1113142371.db2.gz NFGVAJLGMKAEGI-OYDLWJJNSA-N 2 2 365.565 4.098 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)cc1 ZINC000481947675 1113142373 /nfs/dbraw/zinc/14/23/73/1113142373.db2.gz NFGVAJLGMKAEGI-OYDLWJJNSA-N 2 2 365.565 4.098 20 0 FIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccccc1 ZINC000482455523 1113265729 /nfs/dbraw/zinc/26/57/29/1113265729.db2.gz GHIPPQQEPJJDQO-FCHUYYIVSA-N 2 2 356.485 4.112 20 0 FIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccccc1 ZINC000482455523 1113265733 /nfs/dbraw/zinc/26/57/33/1113265733.db2.gz GHIPPQQEPJJDQO-FCHUYYIVSA-N 2 2 356.485 4.112 20 0 FIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)[C@@H]1c1cccs1 ZINC000194336735 1113270902 /nfs/dbraw/zinc/27/09/02/1113270902.db2.gz DNDWXLQZLKINLM-DYESRHJHSA-N 2 2 366.534 4.311 20 0 FIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)[C@@H]1c1cccs1 ZINC000194336735 1113270906 /nfs/dbraw/zinc/27/09/06/1113270906.db2.gz DNDWXLQZLKINLM-DYESRHJHSA-N 2 2 366.534 4.311 20 0 FIADLP CC(C)C[C@@](C)([NH2+]CCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000483037845 1113428998 /nfs/dbraw/zinc/42/89/98/1113428998.db2.gz DRWOEARQCGAEMM-QGZVFWFLSA-N 2 2 350.304 4.197 20 0 FIADLP C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483140755 1113452662 /nfs/dbraw/zinc/45/26/62/1113452662.db2.gz QVIVBPYHNZUNNH-FXAWDEMLSA-N 2 2 364.468 4.331 20 0 FIADLP CCOc1c(Cl)cccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000486931271 1113679543 /nfs/dbraw/zinc/67/95/43/1113679543.db2.gz ASKMNQYLIWMMSK-UHFFFAOYSA-N 2 2 358.913 4.493 20 0 FIADLP c1ccc(COc2cncc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c2)cc1 ZINC000488429210 1113928368 /nfs/dbraw/zinc/92/83/68/1113928368.db2.gz CIGPUMMUWJJIMQ-JOCHJYFZSA-N 2 2 365.521 4.111 20 0 FIADLP c1ccc(COc2cncc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c2)cc1 ZINC000488429210 1113928371 /nfs/dbraw/zinc/92/83/71/1113928371.db2.gz CIGPUMMUWJJIMQ-JOCHJYFZSA-N 2 2 365.521 4.111 20 0 FIADLP CCCc1nc(C)c(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)o1 ZINC000572487641 1114650012 /nfs/dbraw/zinc/65/00/12/1114650012.db2.gz MPPZPXAODJEZJE-QGZVFWFLSA-N 2 2 361.555 4.259 20 0 FIADLP CCCc1nc(C)c(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)o1 ZINC000572487641 1114650013 /nfs/dbraw/zinc/65/00/13/1114650013.db2.gz MPPZPXAODJEZJE-QGZVFWFLSA-N 2 2 361.555 4.259 20 0 FIADLP CCCc1nc(C)c(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)o1 ZINC000572487641 1114650014 /nfs/dbraw/zinc/65/00/14/1114650014.db2.gz MPPZPXAODJEZJE-QGZVFWFLSA-N 2 2 361.555 4.259 20 0 FIADLP CCCc1nc(C)c(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)o1 ZINC000572487641 1114650015 /nfs/dbraw/zinc/65/00/15/1114650015.db2.gz MPPZPXAODJEZJE-QGZVFWFLSA-N 2 2 361.555 4.259 20 0 FIADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000573018429 1115000116 /nfs/dbraw/zinc/00/01/16/1115000116.db2.gz NUSKWUXVEQLUNS-RCFWFJCLSA-N 2 2 357.448 4.390 20 0 FIADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000573018429 1115000125 /nfs/dbraw/zinc/00/01/25/1115000125.db2.gz NUSKWUXVEQLUNS-RCFWFJCLSA-N 2 2 357.448 4.390 20 0 FIADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081866 1115018656 /nfs/dbraw/zinc/01/86/56/1115018656.db2.gz AQWWKDCTPYVSGN-UYAOXDASSA-N 2 2 374.488 4.214 20 0 FIADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081866 1115018658 /nfs/dbraw/zinc/01/86/58/1115018658.db2.gz AQWWKDCTPYVSGN-UYAOXDASSA-N 2 2 374.488 4.214 20 0 FIADLP C[C@@H](Cc1ccccc1F)[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000783279642 1115101341 /nfs/dbraw/zinc/10/13/41/1115101341.db2.gz ZHKFQPCDYRVLOE-KRWDZBQOSA-N 2 2 355.501 4.399 20 0 FIADLP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000062426937 1115926070 /nfs/dbraw/zinc/92/60/70/1115926070.db2.gz ARSJYGPNDUCNAW-KRWDZBQOSA-N 2 2 374.960 4.469 20 0 FIADLP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000062426937 1115926071 /nfs/dbraw/zinc/92/60/71/1115926071.db2.gz ARSJYGPNDUCNAW-KRWDZBQOSA-N 2 2 374.960 4.469 20 0 FIADLP CCCCOc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000608067823 1116080746 /nfs/dbraw/zinc/08/07/46/1116080746.db2.gz USMLKSCCEVFQAG-GOSISDBHSA-N 2 2 357.498 4.046 20 0 FIADLP c1cn(Cc2ccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)cc2)c[nH+]1 ZINC000534355857 1116188107 /nfs/dbraw/zinc/18/81/07/1116188107.db2.gz ZGVQXBZVJUXHCP-FYYLOGMGSA-N 2 2 361.489 4.189 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(Cl)c(Br)c1)CCC2 ZINC000539531737 1116340599 /nfs/dbraw/zinc/34/05/99/1116340599.db2.gz ZTQVVZIWKSKIEY-CYBMUJFWSA-N 2 2 368.706 4.275 20 0 FIADLP CCO[C@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1(CC)CC ZINC000539690299 1116366168 /nfs/dbraw/zinc/36/61/68/1116366168.db2.gz WYRURGBCKLBYEP-PMACEKPBSA-N 2 2 374.573 4.008 20 0 FIADLP CCCOc1c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cccc1OCC ZINC000539822249 1116386088 /nfs/dbraw/zinc/38/60/88/1116386088.db2.gz KRHPWYNSNXANFA-FQEVSTJZSA-N 2 2 360.542 4.324 20 0 FIADLP CCCOc1c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cccc1OCC ZINC000539822249 1116386091 /nfs/dbraw/zinc/38/60/91/1116386091.db2.gz KRHPWYNSNXANFA-FQEVSTJZSA-N 2 2 360.542 4.324 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540141427 1117893514 /nfs/dbraw/zinc/89/35/14/1117893514.db2.gz ASDFQUYYVJDCJF-INIZCTEOSA-N 2 2 350.466 4.295 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000540163872 1117917726 /nfs/dbraw/zinc/91/77/26/1117917726.db2.gz PYXUBOHRUAWPKK-UYHISHBKSA-N 2 2 357.325 4.022 20 0 FIADLP CC(C)Oc1ccccc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463079008 1117960723 /nfs/dbraw/zinc/96/07/23/1117960723.db2.gz WIPBPPGZEBFODI-UHFFFAOYSA-N 2 2 370.512 4.410 20 0 FIADLP CC(C)[NH+](CCC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C)C(C)C ZINC000540315275 1117980553 /nfs/dbraw/zinc/98/05/53/1117980553.db2.gz FWSGCWPPZGTTNS-HNNXBMFYSA-N 2 2 350.938 4.386 20 0 FIADLP C[C@@H]1C[C@@H](NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463137723 1117986088 /nfs/dbraw/zinc/98/60/88/1117986088.db2.gz MPAHNAJJIMJDTC-LEOXJPRUSA-N 2 2 369.528 4.071 20 0 FIADLP C[C@@H]1C[C@@H](NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463137723 1117986091 /nfs/dbraw/zinc/98/60/91/1117986091.db2.gz MPAHNAJJIMJDTC-LEOXJPRUSA-N 2 2 369.528 4.071 20 0 FIADLP CSc1ccc(F)cc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463193048 1118008576 /nfs/dbraw/zinc/00/85/76/1118008576.db2.gz TYOBWWLOACSYAF-UHFFFAOYSA-N 2 2 358.526 4.344 20 0 FIADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3COc4ccc(Cl)cc43)CC2)cc1 ZINC000463195158 1118010278 /nfs/dbraw/zinc/01/02/78/1118010278.db2.gz YSEQCIWSGNVMNV-FQEVSTJZSA-N 2 2 374.887 4.209 20 0 FIADLP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463279049 1118066597 /nfs/dbraw/zinc/06/65/97/1118066597.db2.gz YCEQFOFIUXDTPQ-QFIPXVFZSA-N 2 2 368.496 4.336 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463279885 1118067344 /nfs/dbraw/zinc/06/73/44/1118067344.db2.gz KIIMKFKCLGHTJJ-OTUUDDROSA-N 2 2 363.549 4.075 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463279885 1118067351 /nfs/dbraw/zinc/06/73/51/1118067351.db2.gz KIIMKFKCLGHTJJ-OTUUDDROSA-N 2 2 363.549 4.075 20 0 FIADLP Fc1cccc2c1OCCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463287191 1118083714 /nfs/dbraw/zinc/08/37/14/1118083714.db2.gz XBDNMIODCFZRPG-QFIPXVFZSA-N 2 2 368.496 4.336 20 0 FIADLP Cc1cc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc(C)c1F ZINC000540758461 1118225704 /nfs/dbraw/zinc/22/57/04/1118225704.db2.gz LDDYAGFBAOASJG-QFBILLFUSA-N 2 2 356.489 4.151 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCCc4ccccc43)[nH+]c2)CC1 ZINC000540789733 1118248238 /nfs/dbraw/zinc/24/82/38/1118248238.db2.gz UBFTXYLTCCFWFK-OAQYLSRUSA-N 2 2 350.510 4.102 20 0 FIADLP C[C@@H]1[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C[C@@H]1c1ccccc1 ZINC000464061169 1118422323 /nfs/dbraw/zinc/42/23/23/1118422323.db2.gz ZVKNYAVDUSPZDI-BULFRSBZSA-N 2 2 364.537 4.216 20 0 FIADLP C[C@H]1[C@H](c2ccccc2)C[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000464061172 1118422441 /nfs/dbraw/zinc/42/24/41/1118422441.db2.gz ZVKNYAVDUSPZDI-WTOYTKOKSA-N 2 2 364.537 4.216 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000508680729 1118488484 /nfs/dbraw/zinc/48/84/84/1118488484.db2.gz VMRUSASMFULCIU-AWEZNQCLSA-N 2 2 358.536 4.060 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000508680729 1118488488 /nfs/dbraw/zinc/48/84/88/1118488488.db2.gz VMRUSASMFULCIU-AWEZNQCLSA-N 2 2 358.536 4.060 20 0 FIADLP Clc1ccc(C2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCOCC2)cc1 ZINC000541375125 1118493058 /nfs/dbraw/zinc/49/30/58/1118493058.db2.gz UEGMZRKZXALEIQ-UHFFFAOYSA-N 2 2 373.909 4.383 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000541533805 1118553242 /nfs/dbraw/zinc/55/32/42/1118553242.db2.gz CMMIFUAWFJZWJK-UHFFFAOYSA-N 2 2 358.445 4.371 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000541533805 1118553243 /nfs/dbraw/zinc/55/32/43/1118553243.db2.gz CMMIFUAWFJZWJK-UHFFFAOYSA-N 2 2 358.445 4.371 20 0 FIADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1nc(-c2ccncc2)cs1 ZINC000541555908 1118561664 /nfs/dbraw/zinc/56/16/64/1118561664.db2.gz PMGVWJGYJPKJDK-CYBMUJFWSA-N 2 2 367.503 4.303 20 0 FIADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(C)c1 ZINC000542133539 1118810005 /nfs/dbraw/zinc/81/00/05/1118810005.db2.gz VSSNDICODJCQRX-IBGZPJMESA-N 2 2 368.525 4.019 20 0 FIADLP COc1ccc(C2(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCC2)cc1 ZINC000542297414 1118888185 /nfs/dbraw/zinc/88/81/85/1118888185.db2.gz GMIVQTYFQSWMHX-UHFFFAOYSA-N 2 2 353.491 4.154 20 0 FIADLP Clc1ccc2c(c1Cl)OC[C@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542302256 1118901126 /nfs/dbraw/zinc/90/11/26/1118901126.db2.gz IADDJRVVMRTMPV-CQSZACIVSA-N 2 2 366.273 4.464 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(Br)c1 ZINC000173348872 1119034683 /nfs/dbraw/zinc/03/46/83/1119034683.db2.gz CPIOJDVGCMKPRI-AWEZNQCLSA-N 2 2 356.267 4.486 20 0 FIADLP C[N@H+](Cc1cccc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174658353 1119139751 /nfs/dbraw/zinc/13/97/51/1119139751.db2.gz NQHKJZDRDDZSAC-UHFFFAOYSA-N 2 2 359.517 4.374 20 0 FIADLP C[N@@H+](Cc1cccc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174658353 1119139753 /nfs/dbraw/zinc/13/97/53/1119139753.db2.gz NQHKJZDRDDZSAC-UHFFFAOYSA-N 2 2 359.517 4.374 20 0 FIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc2ccccc2n1 ZINC000177847977 1119356145 /nfs/dbraw/zinc/35/61/45/1119356145.db2.gz JUJANTZXAGTVFD-GOSISDBHSA-N 2 2 356.473 4.373 20 0 FIADLP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4nc5ccccc5s4)C[C@@H]3C2)cc1 ZINC000312100207 1119399949 /nfs/dbraw/zinc/39/99/49/1119399949.db2.gz HBWVHDLLWQGXJW-MOPGFXCFSA-N 2 2 363.530 4.250 20 0 FIADLP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4nc5ccccc5s4)C[C@@H]3C2)cc1 ZINC000312100207 1119399951 /nfs/dbraw/zinc/39/99/51/1119399951.db2.gz HBWVHDLLWQGXJW-MOPGFXCFSA-N 2 2 363.530 4.250 20 0 FIADLP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4nc5ccccc5s4)C[C@@H]3C2)cc1 ZINC000312100207 1119399952 /nfs/dbraw/zinc/39/99/52/1119399952.db2.gz HBWVHDLLWQGXJW-MOPGFXCFSA-N 2 2 363.530 4.250 20 0 FIADLP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4nc5ccccc5s4)C[C@@H]3C2)cc1 ZINC000312100207 1119399955 /nfs/dbraw/zinc/39/99/55/1119399955.db2.gz HBWVHDLLWQGXJW-MOPGFXCFSA-N 2 2 363.530 4.250 20 0 FIADLP Fc1cc(Br)cc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000185638519 1119678448 /nfs/dbraw/zinc/67/84/48/1119678448.db2.gz SPZOCVAWXOTRKB-MRXNPFEDSA-N 2 2 352.251 4.012 20 0 FIADLP Fc1cc(Br)cc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000185638519 1119678451 /nfs/dbraw/zinc/67/84/51/1119678451.db2.gz SPZOCVAWXOTRKB-MRXNPFEDSA-N 2 2 352.251 4.012 20 0 FIADLP CC(C)c1nc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cs1 ZINC000186234179 1119714955 /nfs/dbraw/zinc/71/49/55/1119714955.db2.gz UEKCSHOSAWOVMW-INIZCTEOSA-N 2 2 354.523 4.405 20 0 FIADLP Cc1c([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cnn1C(C)(C)C ZINC000191157982 1119962818 /nfs/dbraw/zinc/96/28/18/1119962818.db2.gz DEYFRHMYUTWPKD-KRWDZBQOSA-N 2 2 365.525 4.085 20 0 FIADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168468172 1120089718 /nfs/dbraw/zinc/08/97/18/1120089718.db2.gz LZFQYGDIVLGGDU-KRWDZBQOSA-N 2 2 358.476 4.458 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2sccc2Cl)C[C@H](C)O1 ZINC000193031162 1120095243 /nfs/dbraw/zinc/09/52/43/1120095243.db2.gz GKIGQVKSWLIJHU-GASCZTMLSA-N 2 2 364.942 4.301 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2sccc2Cl)C[C@H](C)O1 ZINC000193031162 1120095248 /nfs/dbraw/zinc/09/52/48/1120095248.db2.gz GKIGQVKSWLIJHU-GASCZTMLSA-N 2 2 364.942 4.301 20 0 FIADLP COC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000193968718 1120221688 /nfs/dbraw/zinc/22/16/88/1120221688.db2.gz KDTRQWVYYJQGFL-FQEVSTJZSA-N 2 2 355.869 4.062 20 0 FIADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@H](C)Cc3ccccc3)CCCC2)no1 ZINC000542518060 1120341952 /nfs/dbraw/zinc/34/19/52/1120341952.db2.gz RUIWVUUHBIAVLZ-GOSISDBHSA-N 2 2 370.541 4.149 20 0 FIADLP c1coc(-c2ncc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)s2)c1 ZINC000494960702 1120396683 /nfs/dbraw/zinc/39/66/83/1120396683.db2.gz YLZXDOWMABSQQL-KRWDZBQOSA-N 2 2 359.539 4.491 20 0 FIADLP c1coc(-c2ncc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)s2)c1 ZINC000494960702 1120396692 /nfs/dbraw/zinc/39/66/92/1120396692.db2.gz YLZXDOWMABSQQL-KRWDZBQOSA-N 2 2 359.539 4.491 20 0 FIADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000495049958 1120445525 /nfs/dbraw/zinc/44/55/25/1120445525.db2.gz UCVOPVKBVRXAIO-PXNSSMCTSA-N 2 2 357.473 4.170 20 0 FIADLP Cc1noc(C2CCC([NH2+]CC(C)(C)[NH2+][C@@H](C)c3ccccc3)CC2)n1 ZINC000495050585 1120446715 /nfs/dbraw/zinc/44/67/15/1120446715.db2.gz VIQBLPQOPJQRQC-MNNVXMFVSA-N 2 2 356.514 4.123 20 0 FIADLP Fc1ccc(OC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000303705292 1120787488 /nfs/dbraw/zinc/78/74/88/1120787488.db2.gz OYMSWHMKJGSPSI-UHFFFAOYSA-N 2 2 351.425 4.055 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000495431938 1120817449 /nfs/dbraw/zinc/81/74/49/1120817449.db2.gz GALCVQMOGDVRFX-JTAQYXEDSA-N 3 2 374.532 4.434 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000495431938 1120817455 /nfs/dbraw/zinc/81/74/55/1120817455.db2.gz GALCVQMOGDVRFX-JTAQYXEDSA-N 3 2 374.532 4.434 20 0 FIADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000237424374 1120977389 /nfs/dbraw/zinc/97/73/89/1120977389.db2.gz NTROKFSSFOFKKS-WIYYLYMNSA-N 2 2 368.521 4.062 20 0 FIADLP Cn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C1 ZINC000443944273 1120997416 /nfs/dbraw/zinc/99/74/16/1120997416.db2.gz GNJBQCFWKKQSCP-ZDUSSCGKSA-N 2 2 360.383 4.371 20 0 FIADLP COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000057621000 1121376284 /nfs/dbraw/zinc/37/62/84/1121376284.db2.gz CNMJNYOTVGKEMX-NRFANRHFSA-N 2 2 363.461 4.227 20 0 FIADLP COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000057621000 1121376294 /nfs/dbraw/zinc/37/62/94/1121376294.db2.gz CNMJNYOTVGKEMX-NRFANRHFSA-N 2 2 363.461 4.227 20 0 FIADLP FC(F)(F)c1ccc(Br)c(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000124283512 1121680080 /nfs/dbraw/zinc/68/00/80/1121680080.db2.gz WRAZUQLTRDDHDY-UHFFFAOYSA-N 2 2 365.237 4.043 20 0 FIADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OCc1cccs1 ZINC000067693872 1121790462 /nfs/dbraw/zinc/79/04/62/1121790462.db2.gz KVTBWTUKHUVPIE-RTBURBONSA-N 2 2 372.534 4.052 20 0 FIADLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1OCc1cccs1 ZINC000067693872 1121790472 /nfs/dbraw/zinc/79/04/72/1121790472.db2.gz KVTBWTUKHUVPIE-RTBURBONSA-N 2 2 372.534 4.052 20 0 FIADLP FC(F)SCc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)o1 ZINC000069675979 1121875830 /nfs/dbraw/zinc/87/58/30/1121875830.db2.gz VXZQAXBVOHERDS-UHFFFAOYSA-N 2 2 363.433 4.270 20 0 FIADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCCO2 ZINC000126540174 1121963806 /nfs/dbraw/zinc/96/38/06/1121963806.db2.gz GSZSVMKBDFZQMJ-GOSISDBHSA-N 2 2 359.901 4.227 20 0 FIADLP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000497414211 1122215529 /nfs/dbraw/zinc/21/55/29/1122215529.db2.gz CVCKBZNYFKTVQZ-GOSISDBHSA-N 2 2 357.885 4.207 20 0 FIADLP COc1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccco2)cc1 ZINC000497409890 1122220762 /nfs/dbraw/zinc/22/07/62/1122220762.db2.gz AYWZFGXRKOPPHP-QFIPXVFZSA-N 2 2 363.461 4.031 20 0 FIADLP CC(C)[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cn1 ZINC000497549838 1122272492 /nfs/dbraw/zinc/27/24/92/1122272492.db2.gz GDXYDXZBZCAHEG-QFIPXVFZSA-N 2 2 355.501 4.215 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](c2ccc(F)cn2)C(C)C)cc1F ZINC000497822191 1122426672 /nfs/dbraw/zinc/42/66/72/1122426672.db2.gz LTBCQFVFLICVGN-FQEVSTJZSA-N 2 2 356.420 4.341 20 0 FIADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000129862029 1122705388 /nfs/dbraw/zinc/70/53/88/1122705388.db2.gz CJTVLLUZEIJSLW-APWZRJJASA-N 2 2 365.481 4.140 20 0 FIADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000129862029 1122705393 /nfs/dbraw/zinc/70/53/93/1122705393.db2.gz CJTVLLUZEIJSLW-APWZRJJASA-N 2 2 365.481 4.140 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000556217760 1122735853 /nfs/dbraw/zinc/73/58/53/1122735853.db2.gz OILOOCJVAPQIRZ-OXJNMPFZSA-N 2 2 359.464 4.194 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000556217760 1122735859 /nfs/dbraw/zinc/73/58/59/1122735859.db2.gz OILOOCJVAPQIRZ-OXJNMPFZSA-N 2 2 359.464 4.194 20 0 FIADLP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2c(C)cccc2Cl)CC1 ZINC000130549590 1122868257 /nfs/dbraw/zinc/86/82/57/1122868257.db2.gz REQHDZJQEFAOLK-UHFFFAOYSA-N 2 2 365.949 4.031 20 0 FIADLP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2c(C)cccc2Cl)CC1 ZINC000130549590 1122868265 /nfs/dbraw/zinc/86/82/65/1122868265.db2.gz REQHDZJQEFAOLK-UHFFFAOYSA-N 2 2 365.949 4.031 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CC(C)(C)Cc4occc43)[nH+]c2)CC1 ZINC000498753068 1122992783 /nfs/dbraw/zinc/99/27/83/1122992783.db2.gz OCHDNAMCYXVVLN-IBGZPJMESA-N 2 2 368.525 4.331 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CCSc3ccccc3F)C2)CC1 ZINC000498834741 1123038544 /nfs/dbraw/zinc/03/85/44/1123038544.db2.gz OCEPOALJNOIDPL-SFHVURJKSA-N 2 2 350.547 4.362 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCSc3ccccc3F)C2)CC1 ZINC000498834741 1123038550 /nfs/dbraw/zinc/03/85/50/1123038550.db2.gz OCEPOALJNOIDPL-SFHVURJKSA-N 2 2 350.547 4.362 20 0 FIADLP CCc1nc(C)c([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000132128213 1123221163 /nfs/dbraw/zinc/22/11/63/1123221163.db2.gz XWSHKTQFKDMOBG-OAHLLOKOSA-N 2 2 354.523 4.152 20 0 FIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000920486179 1123462805 /nfs/dbraw/zinc/46/28/05/1123462805.db2.gz ZWGKMHGJJPSFCC-IAGOWNOFSA-N 2 2 367.607 4.305 20 0 FIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000920486179 1123462807 /nfs/dbraw/zinc/46/28/07/1123462807.db2.gz ZWGKMHGJJPSFCC-IAGOWNOFSA-N 2 2 367.607 4.305 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134931545 1123695878 /nfs/dbraw/zinc/69/58/78/1123695878.db2.gz HHCCDNRXOKAJPZ-WIYYLYMNSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134931545 1123695882 /nfs/dbraw/zinc/69/58/82/1123695882.db2.gz HHCCDNRXOKAJPZ-WIYYLYMNSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134931545 1123695884 /nfs/dbraw/zinc/69/58/84/1123695884.db2.gz HHCCDNRXOKAJPZ-WIYYLYMNSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134931545 1123695886 /nfs/dbraw/zinc/69/58/86/1123695886.db2.gz HHCCDNRXOKAJPZ-WIYYLYMNSA-N 2 2 351.494 4.099 20 0 FIADLP C[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245594001 1124131701 /nfs/dbraw/zinc/13/17/01/1124131701.db2.gz LFQQLWNMYYBTSQ-STZQEDGTSA-N 2 2 374.488 4.146 20 0 FIADLP C[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245594001 1124131704 /nfs/dbraw/zinc/13/17/04/1124131704.db2.gz LFQQLWNMYYBTSQ-STZQEDGTSA-N 2 2 374.488 4.146 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc(Cl)c1Cl ZINC000246371535 1124471086 /nfs/dbraw/zinc/47/10/86/1124471086.db2.gz JIQOWNQJPJJQSM-DOPJRALCSA-N 2 2 371.352 4.412 20 0 FIADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247216114 1124599147 /nfs/dbraw/zinc/59/91/47/1124599147.db2.gz XFXOIDXZBUJYAL-QRWLVFNGSA-N 2 2 367.468 4.276 20 0 FIADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247216114 1124599154 /nfs/dbraw/zinc/59/91/54/1124599154.db2.gz XFXOIDXZBUJYAL-QRWLVFNGSA-N 2 2 367.468 4.276 20 0 FIADLP Cc1cccc([C@@H]2CCC[NH+]2CCC[N@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000247280467 1124637470 /nfs/dbraw/zinc/63/74/70/1124637470.db2.gz SUAYZNDOVMSQPE-GOTSBHOMSA-N 2 2 364.537 4.458 20 0 FIADLP Cc1cccc([C@@H]2CCC[NH+]2CCC[N@@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000247280467 1124637709 /nfs/dbraw/zinc/63/77/09/1124637709.db2.gz SUAYZNDOVMSQPE-GOTSBHOMSA-N 2 2 364.537 4.458 20 0 FIADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCSc4ccccc43)C2)cc1 ZINC000248744928 1124808452 /nfs/dbraw/zinc/80/84/52/1124808452.db2.gz FHYUHVLWIDXNBR-CTNGQTDRSA-N 2 2 368.546 4.104 20 0 FIADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCSc4ccccc43)C2)cc1 ZINC000248744928 1124808460 /nfs/dbraw/zinc/80/84/60/1124808460.db2.gz FHYUHVLWIDXNBR-CTNGQTDRSA-N 2 2 368.546 4.104 20 0 FIADLP C[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000249185163 1124849147 /nfs/dbraw/zinc/84/91/47/1124849147.db2.gz KFEYQCPOUQRJDM-LESCRADOSA-N 2 2 367.415 4.007 20 0 FIADLP CCn1cc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000112098623 1124962278 /nfs/dbraw/zinc/96/22/78/1124962278.db2.gz XMPXFDGYTREOEC-UHFFFAOYSA-N 2 2 371.488 4.105 20 0 FIADLP CCn1c2ccccc2nc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000090036951 1124977153 /nfs/dbraw/zinc/97/71/53/1124977153.db2.gz YRRRTRTZXANPJJ-SFHVURJKSA-N 2 2 362.521 4.371 20 0 FIADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667736 1125013521 /nfs/dbraw/zinc/01/35/21/1125013521.db2.gz SVQYVPNAGLZEJJ-AVRDEDQJSA-N 2 2 365.521 4.419 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000090941021 1125028814 /nfs/dbraw/zinc/02/88/14/1125028814.db2.gz VABIVZDFGSKUJG-UTKZUKDTSA-N 2 2 369.940 4.267 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000090941021 1125028824 /nfs/dbraw/zinc/02/88/24/1125028824.db2.gz VABIVZDFGSKUJG-UTKZUKDTSA-N 2 2 369.940 4.267 20 0 FIADLP C[N@@H+](Cc1cnc(C2CCC2)s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093337014 1125305738 /nfs/dbraw/zinc/30/57/38/1125305738.db2.gz XAHHSZLTQXWSAA-GOSISDBHSA-N 2 2 355.551 4.365 20 0 FIADLP C[N@H+](Cc1cnc(C2CCC2)s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093337014 1125305747 /nfs/dbraw/zinc/30/57/47/1125305747.db2.gz XAHHSZLTQXWSAA-GOSISDBHSA-N 2 2 355.551 4.365 20 0 FIADLP C[NH+](Cc1cnc(C2CCC2)s1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093337014 1125305752 /nfs/dbraw/zinc/30/57/52/1125305752.db2.gz XAHHSZLTQXWSAA-GOSISDBHSA-N 2 2 355.551 4.365 20 0 FIADLP C[NH+](Cc1cnc(C2CCC2)s1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093337014 1125305757 /nfs/dbraw/zinc/30/57/57/1125305757.db2.gz XAHHSZLTQXWSAA-GOSISDBHSA-N 2 2 355.551 4.365 20 0 FIADLP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000603511197 568110559 /nfs/dbraw/zinc/11/05/59/568110559.db2.gz ZZQHYGDKPJEUEQ-STQMWFEESA-N 2 2 365.251 4.311 20 0 FIADLP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000603511197 568110560 /nfs/dbraw/zinc/11/05/60/568110560.db2.gz ZZQHYGDKPJEUEQ-STQMWFEESA-N 2 2 365.251 4.311 20 0 FIADLP Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000604307414 568247676 /nfs/dbraw/zinc/24/76/76/568247676.db2.gz FYSIHPXZZLRPTK-GOSISDBHSA-N 2 2 367.493 4.177 20 0 FIADLP Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000604307414 568247677 /nfs/dbraw/zinc/24/76/77/568247677.db2.gz FYSIHPXZZLRPTK-GOSISDBHSA-N 2 2 367.493 4.177 20 0 FIADLP COc1c(C)c[nH+]c(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1C ZINC000303172448 568255501 /nfs/dbraw/zinc/25/55/01/568255501.db2.gz JJXHWNUUWXZURX-UHFFFAOYSA-N 2 2 373.928 4.068 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1csc(Cl)c1 ZINC000390909644 568533569 /nfs/dbraw/zinc/53/35/69/568533569.db2.gz NOUMSKDDBDWEPD-CRAIPNDOSA-N 2 2 364.942 4.343 20 0 FIADLP CC(C)(C)c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)[nH+]c1 ZINC001164964638 722025190 /nfs/dbraw/zinc/02/51/90/722025190.db2.gz XDYAQJGEBNMYNV-UHFFFAOYSA-N 2 2 364.537 4.267 20 0 FIADLP CC(C)(C)c1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)[nH+]c1 ZINC001164964638 722025191 /nfs/dbraw/zinc/02/51/91/722025191.db2.gz XDYAQJGEBNMYNV-UHFFFAOYSA-N 2 2 364.537 4.267 20 0 FIADLP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc4c([nH+]2)CCCC4)C3)c1 ZINC001164994219 722198027 /nfs/dbraw/zinc/19/80/27/722198027.db2.gz LTNBBGPYNODDNX-QHCPKHFHSA-N 2 2 365.496 4.344 20 0 FIADLP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc4c([nH+]2)CCCC4)C3)c1 ZINC001164994219 722198028 /nfs/dbraw/zinc/19/80/28/722198028.db2.gz LTNBBGPYNODDNX-QHCPKHFHSA-N 2 2 365.496 4.344 20 0 FIADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OCc1ccccc1 ZINC000093643629 1125470540 /nfs/dbraw/zinc/47/05/40/1125470540.db2.gz AYWRQSGEYFOWCJ-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OCc1ccccc1 ZINC000093643629 1125470547 /nfs/dbraw/zinc/47/05/47/1125470547.db2.gz AYWRQSGEYFOWCJ-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCc1ccccc1 ZINC000093643629 1125470550 /nfs/dbraw/zinc/47/05/50/1125470550.db2.gz AYWRQSGEYFOWCJ-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCc1ccccc1 ZINC000093643629 1125470554 /nfs/dbraw/zinc/47/05/54/1125470554.db2.gz AYWRQSGEYFOWCJ-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683409 1125490747 /nfs/dbraw/zinc/49/07/47/1125490747.db2.gz CGLZVFSCVXHJSB-SFHVURJKSA-N 2 2 353.485 4.196 20 0 FIADLP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683409 1125490750 /nfs/dbraw/zinc/49/07/50/1125490750.db2.gz CGLZVFSCVXHJSB-SFHVURJKSA-N 2 2 353.485 4.196 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(Cl)ccc1OC(F)F ZINC000152804837 1125656389 /nfs/dbraw/zinc/65/63/89/1125656389.db2.gz HOMODJKQQZXYGI-GFCCVEGCSA-N 2 2 369.843 4.368 20 0 FIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(Cl)ccc1OC(F)F ZINC000152804761 1125656868 /nfs/dbraw/zinc/65/68/68/1125656868.db2.gz HOMODJKQQZXYGI-LBPRGKRZSA-N 2 2 369.843 4.368 20 0 FIADLP C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000620123823 1125779078 /nfs/dbraw/zinc/77/90/78/1125779078.db2.gz VLGWTSMWDMNOPN-OAHLLOKOSA-N 2 2 370.294 4.356 20 0 FIADLP c1cn(Cc2cccc(C[NH2+][C@H](c3ccccc3)c3ccccn3)c2)c[nH+]1 ZINC000180082259 1080437177 /nfs/dbraw/zinc/43/71/77/1080437177.db2.gz RLOQZUFIWLGCCY-HSZRJFAPSA-N 2 2 354.457 4.206 20 0 FIADLP COCCC[NH+]1CCC([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000180402741 1080494732 /nfs/dbraw/zinc/49/47/32/1080494732.db2.gz XXRFNBMWHAPVNU-UHFFFAOYSA-N 2 2 374.475 4.145 20 0 FIADLP CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H](C)c1cccc(OC)c1 ZINC001167131910 1080661920 /nfs/dbraw/zinc/66/19/20/1080661920.db2.gz USMWUTCBEAPMKO-LJQANCHMSA-N 2 2 368.521 4.111 20 0 FIADLP CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H](C)c1cccc(OC)c1 ZINC001167131910 1080661922 /nfs/dbraw/zinc/66/19/22/1080661922.db2.gz USMWUTCBEAPMKO-LJQANCHMSA-N 2 2 368.521 4.111 20 0 FIADLP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccccc1-c1ccccc1 ZINC000109796696 1080758882 /nfs/dbraw/zinc/75/88/82/1080758882.db2.gz QJXCFOJRVVWBHI-UHFFFAOYSA-N 2 2 374.488 4.216 20 0 FIADLP Cc1nc(-c2ccc([C@H](C)[NH2+]Cc3ncc(C[NH+](C)C)s3)cc2)cs1 ZINC000510270919 1080968445 /nfs/dbraw/zinc/96/84/45/1080968445.db2.gz UEFJROGSNHNEHU-ZDUSSCGKSA-N 2 2 372.563 4.487 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(c1ccccc1)c1ccccc1 ZINC000655699926 1081124723 /nfs/dbraw/zinc/12/47/23/1081124723.db2.gz HWTASYDLIPKASE-XXBNENTESA-N 2 2 364.533 4.050 20 0 FIADLP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)c(C)c1 ZINC000655703812 1081125733 /nfs/dbraw/zinc/12/57/33/1081125733.db2.gz LURRSRRLPPAJLY-ISKFKSNPSA-N 2 2 364.533 4.236 20 0 FIADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655703401 1081127505 /nfs/dbraw/zinc/12/75/05/1081127505.db2.gz PIHFWVWFNQAKCM-HNAYVOBHSA-N 2 2 371.550 4.022 20 0 FIADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655708025 1081133164 /nfs/dbraw/zinc/13/31/64/1081133164.db2.gz HUBOQLAEDURXAT-RBUKOAKNSA-N 2 2 370.459 4.245 20 0 FIADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(Oc2ccccc2)c1 ZINC000655723885 1081139352 /nfs/dbraw/zinc/13/93/52/1081139352.db2.gz VIGYBNLECAACPG-OAQYLSRUSA-N 2 2 366.505 4.130 20 0 FIADLP Fc1cccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc2)c1 ZINC000655722944 1081142628 /nfs/dbraw/zinc/14/26/28/1081142628.db2.gz JRUFVXVTONLZSH-XZOQPEGZSA-N 2 2 368.496 4.148 20 0 FIADLP Clc1ccc(C2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1Cl ZINC000655741010 1081158552 /nfs/dbraw/zinc/15/85/52/1081158552.db2.gz BPMUXVKYUPSPEO-INIZCTEOSA-N 2 2 369.336 4.216 20 0 FIADLP C[C@H]1CCCC[C@@H]1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001648830265 1081267618 /nfs/dbraw/zinc/26/76/18/1081267618.db2.gz NGAQJSWSWHNSGT-JTHBVZDNSA-N 2 2 357.586 4.000 20 0 FIADLP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC001648833045 1081272365 /nfs/dbraw/zinc/27/23/65/1081272365.db2.gz YHSMWMFGWWTSDY-MRXNPFEDSA-N 2 2 374.960 4.272 20 0 FIADLP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1cccc(Cl)c1 ZINC000580368402 1081905787 /nfs/dbraw/zinc/90/57/87/1081905787.db2.gz LOXYSOSDBBRSPD-LJQANCHMSA-N 2 2 373.859 4.451 20 0 FIADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000430554017 1082447435 /nfs/dbraw/zinc/44/74/35/1082447435.db2.gz UMRDRHSIPSNJIY-TZMCWYRMSA-N 2 2 369.456 4.388 20 0 FIADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000430554017 1082447440 /nfs/dbraw/zinc/44/74/40/1082447440.db2.gz UMRDRHSIPSNJIY-TZMCWYRMSA-N 2 2 369.456 4.388 20 0 FIADLP Cc1cccc2[nH]c(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)cc21 ZINC000656770945 1082763053 /nfs/dbraw/zinc/76/30/53/1082763053.db2.gz YWJSKCZZVMNSKF-UHFFFAOYSA-N 2 2 363.509 4.014 20 0 FIADLP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000684557838 1083348775 /nfs/dbraw/zinc/34/87/75/1083348775.db2.gz KNOKWDRIVTWKNW-WTNGLUPJSA-N 2 2 374.397 4.347 20 0 FIADLP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000510902017 1083370030 /nfs/dbraw/zinc/37/00/30/1083370030.db2.gz XAQQXSMKHQXDLL-UHFFFAOYSA-N 2 2 362.477 4.357 20 0 FIADLP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000510902017 1083370041 /nfs/dbraw/zinc/37/00/41/1083370041.db2.gz XAQQXSMKHQXDLL-UHFFFAOYSA-N 2 2 362.477 4.357 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000658292485 1083395692 /nfs/dbraw/zinc/39/56/92/1083395692.db2.gz ZNEAHOCFRRPYFB-BEFAXECRSA-N 2 2 374.525 4.458 20 0 FIADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC000658295374 1083398434 /nfs/dbraw/zinc/39/84/34/1083398434.db2.gz MGVFEVGMHGFTEA-CRAIPNDOSA-N 2 2 366.933 4.031 20 0 FIADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C)n1 ZINC000510948129 1083532497 /nfs/dbraw/zinc/53/24/97/1083532497.db2.gz HWLVCYOJEHQVER-LAUBAEHRSA-N 2 2 352.526 4.045 20 0 FIADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C)n1 ZINC000510948129 1083532505 /nfs/dbraw/zinc/53/25/05/1083532505.db2.gz HWLVCYOJEHQVER-LAUBAEHRSA-N 2 2 352.526 4.045 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000535685271 1083577387 /nfs/dbraw/zinc/57/73/87/1083577387.db2.gz GFQSEWSGYVVSPY-LJQANCHMSA-N 2 2 350.934 4.196 20 0 FIADLP Cc1cc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc(C(C)C)[nH+]1 ZINC000535691666 1083582145 /nfs/dbraw/zinc/58/21/45/1083582145.db2.gz JISYDERBGFQDOR-UHFFFAOYSA-N 2 2 364.537 4.401 20 0 FIADLP Cc1cc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc(C(C)C)[nH+]1 ZINC000535691666 1083582155 /nfs/dbraw/zinc/58/21/55/1083582155.db2.gz JISYDERBGFQDOR-UHFFFAOYSA-N 2 2 364.537 4.401 20 0 FIADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000511380431 1084097614 /nfs/dbraw/zinc/09/76/14/1084097614.db2.gz RYSJRXBIOSGATH-CBNMVNINSA-N 2 2 372.553 4.314 20 0 FIADLP c1cn(-c2csc(C[NH2+]CC3(CCOCc4ccccc4)CC3)c2)c[nH+]1 ZINC000472054285 1084196268 /nfs/dbraw/zinc/19/62/68/1084196268.db2.gz QXCPNVYQCGOAAK-UHFFFAOYSA-N 2 2 367.518 4.411 20 0 FIADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC[C@@H]1[NH3+] ZINC000647497763 1084248742 /nfs/dbraw/zinc/24/87/42/1084248742.db2.gz UEDYWWUOQZEPBI-WBMJQRKESA-N 2 2 369.456 4.388 20 0 FIADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC[C@@H]1[NH3+] ZINC000647497763 1084248745 /nfs/dbraw/zinc/24/87/45/1084248745.db2.gz UEDYWWUOQZEPBI-WBMJQRKESA-N 2 2 369.456 4.388 20 0 FIADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472502586 1084338157 /nfs/dbraw/zinc/33/81/57/1084338157.db2.gz OLYVDTVYRNRJMB-ZBFHGGJFSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472502586 1084338170 /nfs/dbraw/zinc/33/81/70/1084338170.db2.gz OLYVDTVYRNRJMB-ZBFHGGJFSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@H](c1ccccc1Br)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472502586 1084338183 /nfs/dbraw/zinc/33/81/83/1084338183.db2.gz OLYVDTVYRNRJMB-ZBFHGGJFSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@H](c1ccccc1Br)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472502586 1084338199 /nfs/dbraw/zinc/33/81/99/1084338199.db2.gz OLYVDTVYRNRJMB-ZBFHGGJFSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1OC(F)F ZINC000177807335 1084342220 /nfs/dbraw/zinc/34/22/20/1084342220.db2.gz HKJMGWGDKWXSNN-CYBMUJFWSA-N 2 2 361.367 4.464 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCOc3cc4c(cc31)CCC4)CCC2 ZINC000431337482 1084513319 /nfs/dbraw/zinc/51/33/19/1084513319.db2.gz NMFSSJSKWCSAFL-QUCCMNQESA-N 2 2 351.494 4.061 20 0 FIADLP Cc1ncsc1C[N@H+](Cc1cccc(OCC(C)C)c1)C[C@@H]1CC[NH2+]C1 ZINC000582301852 1084846065 /nfs/dbraw/zinc/84/60/65/1084846065.db2.gz XVNKYTIYOKRYKN-LJQANCHMSA-N 2 2 373.566 4.098 20 0 FIADLP Cc1ncsc1C[N@@H+](Cc1cccc(OCC(C)C)c1)C[C@@H]1CC[NH2+]C1 ZINC000582301852 1084846072 /nfs/dbraw/zinc/84/60/72/1084846072.db2.gz XVNKYTIYOKRYKN-LJQANCHMSA-N 2 2 373.566 4.098 20 0 FIADLP CC1(C)CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2cc(Br)ccc21 ZINC000582330764 1084878122 /nfs/dbraw/zinc/87/81/22/1084878122.db2.gz LCYNAUSORJFJCH-CJNGLKHVSA-N 2 2 374.326 4.432 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000132737266 1085015680 /nfs/dbraw/zinc/01/56/80/1085015680.db2.gz WYNZUMZLTDMZTC-JXFKEZNVSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000132737266 1085015686 /nfs/dbraw/zinc/01/56/86/1085015686.db2.gz WYNZUMZLTDMZTC-JXFKEZNVSA-N 2 2 351.519 4.297 20 0 FIADLP C[N@@H+](Cc1cc(-c2ccccc2)no1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110116 1085554520 /nfs/dbraw/zinc/55/45/20/1085554520.db2.gz PLIQOAHCZZHQAX-HXUWFJFHSA-N 2 2 361.489 4.296 20 0 FIADLP C[N@H+](Cc1cc(-c2ccccc2)no1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110116 1085554525 /nfs/dbraw/zinc/55/45/25/1085554525.db2.gz PLIQOAHCZZHQAX-HXUWFJFHSA-N 2 2 361.489 4.296 20 0 FIADLP C[NH+](Cc1cc(-c2ccccc2)no1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110116 1085554532 /nfs/dbraw/zinc/55/45/32/1085554532.db2.gz PLIQOAHCZZHQAX-HXUWFJFHSA-N 2 2 361.489 4.296 20 0 FIADLP C[NH+](Cc1cc(-c2ccccc2)no1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110116 1085554538 /nfs/dbraw/zinc/55/45/38/1085554538.db2.gz PLIQOAHCZZHQAX-HXUWFJFHSA-N 2 2 361.489 4.296 20 0 FIADLP CC[N@H+](CCC[NH2+]Cc1cnc([C@@H]2CCCO2)s1)C1CCCCC1 ZINC000651909997 1085632953 /nfs/dbraw/zinc/63/29/53/1085632953.db2.gz CVEDHSWTGWYDRT-SFHVURJKSA-N 2 2 351.560 4.129 20 0 FIADLP CC[N@@H+](CCC[NH2+]Cc1cnc([C@@H]2CCCO2)s1)C1CCCCC1 ZINC000651909997 1085632959 /nfs/dbraw/zinc/63/29/59/1085632959.db2.gz CVEDHSWTGWYDRT-SFHVURJKSA-N 2 2 351.560 4.129 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(OC)c1 ZINC000657613772 1085699810 /nfs/dbraw/zinc/69/98/10/1085699810.db2.gz YTYVYSKZVFRWLR-JZWVFAODSA-N 2 2 368.521 4.025 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(OC)c1 ZINC000657613772 1085699816 /nfs/dbraw/zinc/69/98/16/1085699816.db2.gz YTYVYSKZVFRWLR-JZWVFAODSA-N 2 2 368.521 4.025 20 0 FIADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432251230 1085958256 /nfs/dbraw/zinc/95/82/56/1085958256.db2.gz RONDZFGJGHBYPJ-UHFFFAOYSA-N 2 2 363.304 4.112 20 0 FIADLP C[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000162442907 1086182798 /nfs/dbraw/zinc/18/27/98/1086182798.db2.gz MZXCCDKKEFTTDY-GOSISDBHSA-N 2 2 361.493 4.108 20 0 FIADLP Fc1ccc(-c2nc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cs2)cc1 ZINC000663347282 1086448246 /nfs/dbraw/zinc/44/82/46/1086448246.db2.gz IUWLIPQIECHWGP-MRXNPFEDSA-N 2 2 359.514 4.161 20 0 FIADLP Fc1ccc(-c2nc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cs2)cc1 ZINC000663347282 1086448252 /nfs/dbraw/zinc/44/82/52/1086448252.db2.gz IUWLIPQIECHWGP-MRXNPFEDSA-N 2 2 359.514 4.161 20 0 FIADLP CCOC(=O)C1CCC([NH2+][C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000709645376 1086462930 /nfs/dbraw/zinc/46/29/30/1086462930.db2.gz KUGFNLYWMSWYMV-LZBANZJXSA-N 2 2 372.553 4.143 20 0 FIADLP CCOC(=O)C1CCC([NH2+][C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000709645376 1086462937 /nfs/dbraw/zinc/46/29/37/1086462937.db2.gz KUGFNLYWMSWYMV-LZBANZJXSA-N 2 2 372.553 4.143 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OC(F)(F)F)cc1 ZINC000152829700 1086531374 /nfs/dbraw/zinc/53/13/74/1086531374.db2.gz DQPRXTCBJNSJSG-CYBMUJFWSA-N 2 2 353.388 4.011 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCOC1 ZINC000165553361 1086536634 /nfs/dbraw/zinc/53/66/34/1086536634.db2.gz ONBUONGQEPPASL-GCJKJVERSA-N 2 2 361.489 4.113 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCOC1 ZINC000165553216 1086536653 /nfs/dbraw/zinc/53/66/53/1086536653.db2.gz ONBUONGQEPPASL-AVRDEDQJSA-N 2 2 361.489 4.113 20 0 FIADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000126331237 1086609685 /nfs/dbraw/zinc/60/96/85/1086609685.db2.gz MAHDSYRYJHUZIZ-ZDUSSCGKSA-N 2 2 355.511 4.315 20 0 FIADLP COc1ccc(-c2ccc(C[NH2+]Cc3ncc(C[NH+](C)C)s3)cc2)cc1 ZINC000511997811 1086622234 /nfs/dbraw/zinc/62/22/34/1086622234.db2.gz VVPKCRVKHXLOON-UHFFFAOYSA-N 2 2 367.518 4.170 20 0 FIADLP C[N@@H+](Cc1ccccc1)CC1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663531782 1086638313 /nfs/dbraw/zinc/63/83/13/1086638313.db2.gz ZCIWQABIQUTWGN-UHFFFAOYSA-N 2 2 360.505 4.165 20 0 FIADLP C[N@H+](Cc1ccccc1)CC1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663531782 1086638317 /nfs/dbraw/zinc/63/83/17/1086638317.db2.gz ZCIWQABIQUTWGN-UHFFFAOYSA-N 2 2 360.505 4.165 20 0 FIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000432414142 1086739767 /nfs/dbraw/zinc/73/97/67/1086739767.db2.gz QLFYOLDSKJEBIO-LSDHHAIUSA-N 2 2 350.890 4.238 20 0 FIADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000432414142 1086739780 /nfs/dbraw/zinc/73/97/80/1086739780.db2.gz QLFYOLDSKJEBIO-LSDHHAIUSA-N 2 2 350.890 4.238 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)CC1 ZINC000512177612 1086893730 /nfs/dbraw/zinc/89/37/30/1086893730.db2.gz GPFJHWXPVOMXBE-QGZVFWFLSA-N 2 2 358.555 4.082 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)CC1 ZINC000512177612 1086893743 /nfs/dbraw/zinc/89/37/43/1086893743.db2.gz GPFJHWXPVOMXBE-QGZVFWFLSA-N 2 2 358.555 4.082 20 0 FIADLP CC[N@H+](CCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1)CC1CC1 ZINC000536141628 1086986865 /nfs/dbraw/zinc/98/68/65/1086986865.db2.gz WMMDBMVEOTXQLF-UHFFFAOYSA-N 3 2 366.553 4.206 20 0 FIADLP CC[N@@H+](CCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1)CC1CC1 ZINC000536141628 1086986869 /nfs/dbraw/zinc/98/68/69/1086986869.db2.gz WMMDBMVEOTXQLF-UHFFFAOYSA-N 3 2 366.553 4.206 20 0 FIADLP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000278717603 1087260310 /nfs/dbraw/zinc/26/03/10/1087260310.db2.gz SKZPPEXUGDFEME-UHFFFAOYSA-N 2 2 357.445 4.294 20 0 FIADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974189 1087290190 /nfs/dbraw/zinc/29/01/90/1087290190.db2.gz QINWVJWLMPBRCD-JSGCOSHPSA-N 2 2 357.845 4.054 20 0 FIADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974189 1087290194 /nfs/dbraw/zinc/29/01/94/1087290194.db2.gz QINWVJWLMPBRCD-JSGCOSHPSA-N 2 2 357.845 4.054 20 0 FIADLP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000657846570 1087292417 /nfs/dbraw/zinc/29/24/17/1087292417.db2.gz ZXFRVCYBTXZQHT-KRWDZBQOSA-N 2 2 350.304 4.037 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000090920009 1087411450 /nfs/dbraw/zinc/41/14/50/1087411450.db2.gz CELNMENXGWBWAV-XMSQKQJNSA-N 3 2 369.528 4.030 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000090920009 1087411452 /nfs/dbraw/zinc/41/14/52/1087411452.db2.gz CELNMENXGWBWAV-XMSQKQJNSA-N 3 2 369.528 4.030 20 0 FIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@H]3COC4(CCC4)C3)cc2)c[nH+]1 ZINC000657869172 1087471165 /nfs/dbraw/zinc/47/11/65/1087471165.db2.gz ZEMWIWYRKDXZGJ-JOCHJYFZSA-N 2 2 373.500 4.400 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000685459543 1087578534 /nfs/dbraw/zinc/57/85/34/1087578534.db2.gz ASHUMADHNSXWFZ-UHFFFAOYSA-N 2 2 357.546 4.144 20 0 FIADLP CC(C)[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)cc(Br)c1 ZINC000658018696 1087699573 /nfs/dbraw/zinc/69/95/73/1087699573.db2.gz FIZSSBLVDFUGHL-WMLDXEAASA-N 2 2 366.278 4.156 20 0 FIADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CSCc3ccc(Br)cc32)CC1 ZINC000658189957 1087779083 /nfs/dbraw/zinc/77/90/83/1087779083.db2.gz ZDVKCIJQHBNBIB-QGZVFWFLSA-N 2 2 369.372 4.199 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000658194433 1087786389 /nfs/dbraw/zinc/78/63/89/1087786389.db2.gz JWYHCURATHQPMX-UXHICEINSA-N 2 2 351.881 4.114 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(Cl)c1 ZINC000424265927 1087889065 /nfs/dbraw/zinc/88/90/65/1087889065.db2.gz KMSVZQPIYZBUSS-OAHLLOKOSA-N 2 2 355.869 4.444 20 0 FIADLP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H](Cn3cc[nH+]c3)c3ccc(C)cc3C)C[C@H]2C1 ZINC000424303903 1087929610 /nfs/dbraw/zinc/92/96/10/1087929610.db2.gz PQSCGJGMPGCUSO-QXQWVWGKSA-N 2 2 353.510 4.034 20 0 FIADLP CC[N@H+](Cc1ccoc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000414385064 1088081756 /nfs/dbraw/zinc/08/17/56/1088081756.db2.gz DRCBTROVAVIBIZ-UHFFFAOYSA-N 2 2 356.514 4.301 20 0 FIADLP CC[N@@H+](Cc1ccoc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000414385064 1088081773 /nfs/dbraw/zinc/08/17/73/1088081773.db2.gz DRCBTROVAVIBIZ-UHFFFAOYSA-N 2 2 356.514 4.301 20 0 FIADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414822691 1088294771 /nfs/dbraw/zinc/29/47/71/1088294771.db2.gz FHUAFLPXHPMLFN-XLIONFOSSA-N 2 2 353.510 4.125 20 0 FIADLP O=C(C[C@@H]1[NH2+]Cc2ccccc21)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000659251042 1088359020 /nfs/dbraw/zinc/35/90/20/1088359020.db2.gz AEGKYTWLKIPMIT-NRFANRHFSA-N 2 2 372.472 4.060 20 0 FIADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1O ZINC000414839443 1088438631 /nfs/dbraw/zinc/43/86/31/1088438631.db2.gz WJUQNEPKDCWMHX-OXJNMPFZSA-N 2 2 356.510 4.135 20 0 FIADLP c1c[nH]c([C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C2CCCCC2)n1 ZINC000514084188 1088727075 /nfs/dbraw/zinc/72/70/75/1088727075.db2.gz OOVCNCVUBLNPOS-NRFANRHFSA-N 2 2 352.526 4.069 20 0 FIADLP c1c[nH]c([C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C2CCCCC2)n1 ZINC000514084188 1088727080 /nfs/dbraw/zinc/72/70/80/1088727080.db2.gz OOVCNCVUBLNPOS-NRFANRHFSA-N 2 2 352.526 4.069 20 0 FIADLP CC(C)C[C@H]([NH3+])c1noc([C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000414617346 1088903399 /nfs/dbraw/zinc/90/33/99/1088903399.db2.gz LFHWJPGEFDHTHM-WBVHZDCISA-N 2 2 357.502 4.090 20 0 FIADLP Clc1cnc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(Cl)c1 ZINC000434670691 1088935841 /nfs/dbraw/zinc/93/58/41/1088935841.db2.gz QYTJIFDWQFWLFI-UHFFFAOYSA-N 2 2 365.308 4.301 20 0 FIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Br)cc1 ZINC000378899792 1089037012 /nfs/dbraw/zinc/03/70/12/1089037012.db2.gz BODGCWSOBVKUTK-AWEZNQCLSA-N 2 2 360.299 4.164 20 0 FIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000415063069 1089113982 /nfs/dbraw/zinc/11/39/82/1089113982.db2.gz GWOFESPPDRGFGX-KXBFYZLASA-N 2 2 373.928 4.218 20 0 FIADLP C[C@@H]1CCc2nc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)sc2C1 ZINC000435061358 1089249472 /nfs/dbraw/zinc/24/94/72/1089249472.db2.gz PNPFAOQZWZQOBA-OAHLLOKOSA-N 2 2 370.566 4.180 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000435136612 1089321062 /nfs/dbraw/zinc/32/10/62/1089321062.db2.gz FKVUIGHNGURTTQ-PKOBYXMFSA-N 2 2 364.493 4.155 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)CC[N@H+]1Cc1ccccc1 ZINC000435136612 1089321076 /nfs/dbraw/zinc/32/10/76/1089321076.db2.gz FKVUIGHNGURTTQ-PKOBYXMFSA-N 2 2 364.493 4.155 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)CC[NH+]1Cc1ccccc1 ZINC000435136612 1089321093 /nfs/dbraw/zinc/32/10/93/1089321093.db2.gz FKVUIGHNGURTTQ-PKOBYXMFSA-N 2 2 364.493 4.155 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)CC[NH+]1Cc1ccccc1 ZINC000435136612 1089321119 /nfs/dbraw/zinc/32/11/19/1089321119.db2.gz FKVUIGHNGURTTQ-PKOBYXMFSA-N 2 2 364.493 4.155 20 0 FIADLP CC(C)n1c[nH+]cc1CN(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000425342917 1089543814 /nfs/dbraw/zinc/54/38/14/1089543814.db2.gz BPQXSZKXONNUEQ-UHFFFAOYSA-N 2 2 368.447 4.047 20 0 FIADLP CCCOc1cccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435391021 1089599942 /nfs/dbraw/zinc/59/99/42/1089599942.db2.gz RDUYBGWVWMEZTJ-OAQYLSRUSA-N 2 2 353.510 4.015 20 0 FIADLP CCCOc1cccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435391021 1089599956 /nfs/dbraw/zinc/59/99/56/1089599956.db2.gz RDUYBGWVWMEZTJ-OAQYLSRUSA-N 2 2 353.510 4.015 20 0 FIADLP Cc1ncsc1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC000435421716 1089637873 /nfs/dbraw/zinc/63/78/73/1089637873.db2.gz KRKHKESGKFKIIS-HNNXBMFYSA-N 2 2 369.456 4.082 20 0 FIADLP Cc1ncsc1C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC000435421716 1089637875 /nfs/dbraw/zinc/63/78/75/1089637875.db2.gz KRKHKESGKFKIIS-HNNXBMFYSA-N 2 2 369.456 4.082 20 0 FIADLP Cc1cc(Cl)ccc1C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435423536 1089641300 /nfs/dbraw/zinc/64/13/00/1089641300.db2.gz UUQGTWZESIDKCB-QGZVFWFLSA-N 2 2 361.942 4.249 20 0 FIADLP Cc1cc(Cl)ccc1C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435423536 1089641306 /nfs/dbraw/zinc/64/13/06/1089641306.db2.gz UUQGTWZESIDKCB-QGZVFWFLSA-N 2 2 361.942 4.249 20 0 FIADLP CC(C)c1nc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435426627 1089643914 /nfs/dbraw/zinc/64/39/14/1089643914.db2.gz JCYOEBIEPFPXTL-KRWDZBQOSA-N 2 2 361.580 4.472 20 0 FIADLP CC(C)c1nc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435426627 1089643923 /nfs/dbraw/zinc/64/39/23/1089643923.db2.gz JCYOEBIEPFPXTL-KRWDZBQOSA-N 2 2 361.580 4.472 20 0 FIADLP FC(F)(F)c1ccc(Cl)c(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000414868992 1089671524 /nfs/dbraw/zinc/67/15/24/1089671524.db2.gz AVDOHIIETVYIRK-UHFFFAOYSA-N 2 2 357.807 4.023 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000182091812 1090042054 /nfs/dbraw/zinc/04/20/54/1090042054.db2.gz SCKNQYCEZCYVNK-CYBMUJFWSA-N 2 2 355.379 4.033 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000182091812 1090042065 /nfs/dbraw/zinc/04/20/65/1090042065.db2.gz SCKNQYCEZCYVNK-CYBMUJFWSA-N 2 2 355.379 4.033 20 0 FIADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314930 1090807657 /nfs/dbraw/zinc/80/76/57/1090807657.db2.gz BNASAUOFPHWKIP-AYOQOUSVSA-N 2 2 370.566 4.278 20 0 FIADLP FC(F)(F)c1ccc(-c2ccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)o2)cc1 ZINC000584831788 1090932325 /nfs/dbraw/zinc/93/23/25/1090932325.db2.gz OIEQFEVUKNPNGO-CQSZACIVSA-N 2 2 361.367 4.336 20 0 FIADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@@H]3C[C@H]3c3ccccc3)CCCC2)no1 ZINC000417930251 1090998358 /nfs/dbraw/zinc/99/83/58/1090998358.db2.gz JTWBTSUCMHNTCH-OALUTQOASA-N 2 2 368.525 4.074 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000398002325 1091173962 /nfs/dbraw/zinc/17/39/62/1091173962.db2.gz XAUCPFVIKWMMPX-BEFAXECRSA-N 2 2 373.884 4.248 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000398002325 1091173968 /nfs/dbraw/zinc/17/39/68/1091173968.db2.gz XAUCPFVIKWMMPX-BEFAXECRSA-N 2 2 373.884 4.248 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000398002328 1091174213 /nfs/dbraw/zinc/17/42/13/1091174213.db2.gz XAUCPFVIKWMMPX-KXBFYZLASA-N 2 2 373.884 4.248 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000398002328 1091174227 /nfs/dbraw/zinc/17/42/27/1091174227.db2.gz XAUCPFVIKWMMPX-KXBFYZLASA-N 2 2 373.884 4.248 20 0 FIADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000390525830 1091182128 /nfs/dbraw/zinc/18/21/28/1091182128.db2.gz IYXDJGQIIOCBCY-ZJSXRUAMSA-N 3 2 365.565 4.009 20 0 FIADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000390525830 1091182136 /nfs/dbraw/zinc/18/21/36/1091182136.db2.gz IYXDJGQIIOCBCY-ZJSXRUAMSA-N 3 2 365.565 4.009 20 0 FIADLP O[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc(Cl)c(F)c1 ZINC000759861201 1091347703 /nfs/dbraw/zinc/34/77/03/1091347703.db2.gz GGWOVKDVWXONDC-JXFKEZNVSA-N 2 2 368.924 4.101 20 0 FIADLP O[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc(Cl)c(F)c1 ZINC000759861201 1091347716 /nfs/dbraw/zinc/34/77/16/1091347716.db2.gz GGWOVKDVWXONDC-JXFKEZNVSA-N 2 2 368.924 4.101 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3nsc4ccccc43)C2)n2c1CCCC2 ZINC000660481153 1091610808 /nfs/dbraw/zinc/61/08/08/1091610808.db2.gz JFQHQZYAYWDHQD-OAHLLOKOSA-N 2 2 352.507 4.209 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3nsc4ccccc43)C2)n2c1CCCC2 ZINC000660481153 1091610814 /nfs/dbraw/zinc/61/08/14/1091610814.db2.gz JFQHQZYAYWDHQD-OAHLLOKOSA-N 2 2 352.507 4.209 20 0 FIADLP Cc1cc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)sc1Br ZINC000511774340 1091662088 /nfs/dbraw/zinc/66/20/88/1091662088.db2.gz DKEPLJTXRIKUNT-IYXRBSQSSA-N 2 2 357.361 4.487 20 0 FIADLP CC(C)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000187388128 1091877898 /nfs/dbraw/zinc/87/78/98/1091877898.db2.gz AAMZDHUWTTVVNA-CVDCTZTESA-N 2 2 351.538 4.464 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000512205439 1091910085 /nfs/dbraw/zinc/91/00/85/1091910085.db2.gz ZDVYEWPBFDXALJ-MSOLQXFVSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000512205439 1091910087 /nfs/dbraw/zinc/91/00/87/1091910087.db2.gz ZDVYEWPBFDXALJ-MSOLQXFVSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000512205439 1091910088 /nfs/dbraw/zinc/91/00/88/1091910088.db2.gz ZDVYEWPBFDXALJ-MSOLQXFVSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000512205439 1091910093 /nfs/dbraw/zinc/91/00/93/1091910093.db2.gz ZDVYEWPBFDXALJ-MSOLQXFVSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000512211542 1091914581 /nfs/dbraw/zinc/91/45/81/1091914581.db2.gz IBFWLROGAFPBTH-ROUUACIJSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000512211542 1091914582 /nfs/dbraw/zinc/91/45/82/1091914582.db2.gz IBFWLROGAFPBTH-ROUUACIJSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000512211542 1091914587 /nfs/dbraw/zinc/91/45/87/1091914587.db2.gz IBFWLROGAFPBTH-ROUUACIJSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000512211542 1091914591 /nfs/dbraw/zinc/91/45/91/1091914591.db2.gz IBFWLROGAFPBTH-ROUUACIJSA-N 2 2 370.566 4.292 20 0 FIADLP Clc1ccc(C[C@]2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCOC2)cc1 ZINC000500467371 1092100568 /nfs/dbraw/zinc/10/05/68/1092100568.db2.gz GLMQNZGCMQUBLX-LJQANCHMSA-N 2 2 373.909 4.079 20 0 FIADLP Clc1ccc(C[C@@]2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCOC2)cc1 ZINC000500467370 1092101141 /nfs/dbraw/zinc/10/11/41/1092101141.db2.gz GLMQNZGCMQUBLX-IBGZPJMESA-N 2 2 373.909 4.079 20 0 FIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000319351111 1092142593 /nfs/dbraw/zinc/14/25/93/1092142593.db2.gz MUBZAYWLCKKPLW-IRXDYDNUSA-N 2 2 362.315 4.337 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000512431984 1092312894 /nfs/dbraw/zinc/31/28/94/1092312894.db2.gz CJAWHIRDDDLSLY-GCJKJVERSA-N 2 2 368.496 4.383 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000512431984 1092312903 /nfs/dbraw/zinc/31/29/03/1092312903.db2.gz CJAWHIRDDDLSLY-GCJKJVERSA-N 2 2 368.496 4.383 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)c2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000512431984 1092312918 /nfs/dbraw/zinc/31/29/18/1092312918.db2.gz CJAWHIRDDDLSLY-GCJKJVERSA-N 2 2 368.496 4.383 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)c2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000512431984 1092312928 /nfs/dbraw/zinc/31/29/28/1092312928.db2.gz CJAWHIRDDDLSLY-GCJKJVERSA-N 2 2 368.496 4.383 20 0 FIADLP Fc1cc(Br)ccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000106275976 1092542883 /nfs/dbraw/zinc/54/28/83/1092542883.db2.gz OAHYDOARAMXYBE-UHFFFAOYSA-N 2 2 374.257 4.123 20 0 FIADLP C[C@@H]([NH2+]Cc1nc2ccccc2n1C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000522034547 1093045750 /nfs/dbraw/zinc/04/57/50/1093045750.db2.gz CWKKKEJYMFONCN-UYAOXDASSA-N 2 2 374.532 4.371 20 0 FIADLP C[C@@H]([NH2+]Cc1nc2ccccc2n1C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000522034547 1093045760 /nfs/dbraw/zinc/04/57/60/1093045760.db2.gz CWKKKEJYMFONCN-UYAOXDASSA-N 2 2 374.532 4.371 20 0 FIADLP Brc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000522039022 1093047708 /nfs/dbraw/zinc/04/77/08/1093047708.db2.gz ASRWGNRIFARZJY-ZBFHGGJFSA-N 2 2 360.299 4.087 20 0 FIADLP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000512650037 1093073722 /nfs/dbraw/zinc/07/37/22/1093073722.db2.gz WNUMDHWYDTWEEG-KCSJKLDESA-N 2 2 365.521 4.103 20 0 FIADLP CCOc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1OCC(C)C ZINC000512663749 1093101615 /nfs/dbraw/zinc/10/16/15/1093101615.db2.gz PSKKJJOIMMPWDY-UHFFFAOYSA-N 2 2 357.498 4.223 20 0 FIADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000474059705 1093167249 /nfs/dbraw/zinc/16/72/49/1093167249.db2.gz ORKNBSZDYWROLC-JOCHJYFZSA-N 2 2 361.489 4.452 20 0 FIADLP C[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000152228387 1093201518 /nfs/dbraw/zinc/20/15/18/1093201518.db2.gz FYEJHDXYLRUVGW-GFCCVEGCSA-N 2 2 366.412 4.241 20 0 FIADLP COc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1F ZINC001168024395 1093390647 /nfs/dbraw/zinc/39/06/47/1093390647.db2.gz FYXZFBZJIKTBAH-XEMDLRDOSA-N 2 2 356.485 4.366 20 0 FIADLP COc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1F ZINC001168024395 1093390650 /nfs/dbraw/zinc/39/06/50/1093390650.db2.gz FYXZFBZJIKTBAH-XEMDLRDOSA-N 2 2 356.485 4.366 20 0 FIADLP FC(F)(F)c1cnc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000433309408 1093575617 /nfs/dbraw/zinc/57/56/17/1093575617.db2.gz ZJVOBQZPMUOZKC-UHFFFAOYSA-N 2 2 369.456 4.438 20 0 FIADLP COc1ccc(F)c(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001168031694 1093649819 /nfs/dbraw/zinc/64/98/19/1093649819.db2.gz DQHWWAQEDJLTBP-IAGOWNOFSA-N 2 2 356.485 4.366 20 0 FIADLP Cc1ccc([C@H]([NH3+])c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)cc1 ZINC000261746930 1093760533 /nfs/dbraw/zinc/76/05/33/1093760533.db2.gz LKBLPJQRSBWWSM-FQEVSTJZSA-N 2 2 362.477 4.079 20 0 FIADLP Fc1ccc2occ(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001141854549 1093788282 /nfs/dbraw/zinc/78/82/82/1093788282.db2.gz GSRMNTHWLQFDPA-HDICACEKSA-N 2 2 350.437 4.136 20 0 FIADLP Fc1ccc2occ(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001141854549 1093788288 /nfs/dbraw/zinc/78/82/88/1093788288.db2.gz GSRMNTHWLQFDPA-HDICACEKSA-N 2 2 350.437 4.136 20 0 FIADLP Fc1ccc2occ(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001141854549 1093788295 /nfs/dbraw/zinc/78/82/95/1093788295.db2.gz GSRMNTHWLQFDPA-HDICACEKSA-N 2 2 350.437 4.136 20 0 FIADLP Fc1ccc2occ(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001141854549 1093788304 /nfs/dbraw/zinc/78/83/04/1093788304.db2.gz GSRMNTHWLQFDPA-HDICACEKSA-N 2 2 350.437 4.136 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(CC3CCC3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168036065 1093834994 /nfs/dbraw/zinc/83/49/94/1093834994.db2.gz TUVQIWCOYLGJNH-JHDGKUDLSA-N 3 2 369.597 4.412 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(CC3CCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036065 1093834998 /nfs/dbraw/zinc/83/49/98/1093834998.db2.gz TUVQIWCOYLGJNH-JHDGKUDLSA-N 3 2 369.597 4.412 20 0 FIADLP COc1ccc(OC(F)F)c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000513330826 1094067227 /nfs/dbraw/zinc/06/72/27/1094067227.db2.gz OIIHLHIENVPZNZ-UHFFFAOYSA-N 2 2 368.468 4.183 20 0 FIADLP CCOc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC000513480114 1094155540 /nfs/dbraw/zinc/15/55/40/1094155540.db2.gz WZDONCNMYRIMQY-UHFFFAOYSA-N 2 2 368.521 4.190 20 0 FIADLP CCOc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC000513480114 1094155543 /nfs/dbraw/zinc/15/55/43/1094155543.db2.gz WZDONCNMYRIMQY-UHFFFAOYSA-N 2 2 368.521 4.190 20 0 FIADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC000513589604 1094227123 /nfs/dbraw/zinc/22/71/23/1094227123.db2.gz YISDMSIWLARHLT-KCXPTXFHSA-N 2 2 368.521 4.302 20 0 FIADLP C[C@@H](C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000501008222 1094418936 /nfs/dbraw/zinc/41/89/36/1094418936.db2.gz OSHMGCCDEZSRGY-HOTGVXAUSA-N 2 2 365.443 4.497 20 0 FIADLP C[C@@H](C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000501008222 1094418940 /nfs/dbraw/zinc/41/89/40/1094418940.db2.gz OSHMGCCDEZSRGY-HOTGVXAUSA-N 2 2 365.443 4.497 20 0 FIADLP Cc1ccccc1-n1nccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000474727131 1094535070 /nfs/dbraw/zinc/53/50/70/1094535070.db2.gz JIWGNUGDYTXHHH-HXUWFJFHSA-N 2 2 374.532 4.496 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1nc2c(s1)CCC2 ZINC000502018621 1095059298 /nfs/dbraw/zinc/05/92/98/1095059298.db2.gz PGTQUSGEIDTVOK-XYJFISCASA-N 2 2 355.551 4.336 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1nc2c(s1)CCC2 ZINC000502018621 1095059318 /nfs/dbraw/zinc/05/93/18/1095059318.db2.gz PGTQUSGEIDTVOK-XYJFISCASA-N 2 2 355.551 4.336 20 0 FIADLP FC(F)C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000421003521 1095238697 /nfs/dbraw/zinc/23/86/97/1095238697.db2.gz YZZRVFPBZHTKJR-FQEVSTJZSA-N 2 2 360.448 4.005 20 0 FIADLP COc1c(C)cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000502320393 1095346690 /nfs/dbraw/zinc/34/66/90/1095346690.db2.gz MHLYLOSDBKECJD-LJQANCHMSA-N 2 2 353.510 4.224 20 0 FIADLP COc1c(C)cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000502320393 1095346708 /nfs/dbraw/zinc/34/67/08/1095346708.db2.gz MHLYLOSDBKECJD-LJQANCHMSA-N 2 2 353.510 4.224 20 0 FIADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502345549 1095381715 /nfs/dbraw/zinc/38/17/15/1095381715.db2.gz KUICBKZALAWTID-LJQANCHMSA-N 2 2 353.510 4.386 20 0 FIADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502345549 1095381724 /nfs/dbraw/zinc/38/17/24/1095381724.db2.gz KUICBKZALAWTID-LJQANCHMSA-N 2 2 353.510 4.386 20 0 FIADLP CCCOc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502328943 1095386942 /nfs/dbraw/zinc/38/69/42/1095386942.db2.gz YSOXDWMOCRALOA-IBGZPJMESA-N 2 2 353.510 4.388 20 0 FIADLP CCCOc1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502328943 1095386952 /nfs/dbraw/zinc/38/69/52/1095386952.db2.gz YSOXDWMOCRALOA-IBGZPJMESA-N 2 2 353.510 4.388 20 0 FIADLP Cc1c(Cl)c(C[NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)nn1C ZINC000421331240 1095528918 /nfs/dbraw/zinc/52/89/18/1095528918.db2.gz ZSNBPIBNTSNUCF-UHFFFAOYSA-N 2 2 374.960 4.436 20 0 FIADLP Cc1c(Cl)c(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)nn1C ZINC000421331240 1095528925 /nfs/dbraw/zinc/52/89/25/1095528925.db2.gz ZSNBPIBNTSNUCF-UHFFFAOYSA-N 2 2 374.960 4.436 20 0 FIADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000281664671 1095672083 /nfs/dbraw/zinc/67/20/83/1095672083.db2.gz QJLCVVLXMHBCJR-BTYIYWSLSA-N 2 2 369.484 4.032 20 0 FIADLP C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000639478080 1095677665 /nfs/dbraw/zinc/67/76/65/1095677665.db2.gz KMKSSEKOWUTRLR-OXQOHEQNSA-N 2 2 373.460 4.484 20 0 FIADLP C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000639478080 1095677671 /nfs/dbraw/zinc/67/76/71/1095677671.db2.gz KMKSSEKOWUTRLR-OXQOHEQNSA-N 2 2 373.460 4.484 20 0 FIADLP Clc1ccccc1Cn1cc[nH+]c1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000508469424 1095853193 /nfs/dbraw/zinc/85/31/93/1095853193.db2.gz YVZOJGWEJCLDOM-UHFFFAOYSA-N 2 2 363.852 4.383 20 0 FIADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444211334 1095857468 /nfs/dbraw/zinc/85/74/68/1095857468.db2.gz JTGIMTIXVOMFME-HZPDHXFCSA-N 2 2 351.332 4.318 20 0 FIADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444211334 1095857489 /nfs/dbraw/zinc/85/74/89/1095857489.db2.gz JTGIMTIXVOMFME-HZPDHXFCSA-N 2 2 351.332 4.318 20 0 FIADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000421819946 1095932806 /nfs/dbraw/zinc/93/28/06/1095932806.db2.gz JVWAGEZKACJVTQ-INIZCTEOSA-N 2 2 371.887 4.487 20 0 FIADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000421821583 1095934926 /nfs/dbraw/zinc/93/49/26/1095934926.db2.gz SDQXTZRYHXXJQQ-OAHLLOKOSA-N 2 2 355.869 4.444 20 0 FIADLP Cc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1Br ZINC000503004281 1096011598 /nfs/dbraw/zinc/01/15/98/1096011598.db2.gz IQMOXZHXJMEIKO-UHFFFAOYSA-N 2 2 370.294 4.292 20 0 FIADLP Fc1ccc(SCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503394552 1096382671 /nfs/dbraw/zinc/38/26/71/1096382671.db2.gz SPPISBAHXSRMHR-INIZCTEOSA-N 2 2 359.514 4.330 20 0 FIADLP Fc1ccc(SCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503394552 1096382678 /nfs/dbraw/zinc/38/26/78/1096382678.db2.gz SPPISBAHXSRMHR-INIZCTEOSA-N 2 2 359.514 4.330 20 0 FIADLP C[NH2+]C1CC[NH+](Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 ZINC000414680162 1096443454 /nfs/dbraw/zinc/44/34/54/1096443454.db2.gz YFQFMENNNBMQGJ-UHFFFAOYSA-N 2 2 360.933 4.007 20 0 FIADLP [NH3+]CC1CCC([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000422721978 1096471662 /nfs/dbraw/zinc/47/16/62/1096471662.db2.gz WLQBFUNMQBGFJJ-UHFFFAOYSA-N 3 2 374.532 4.206 20 0 FIADLP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000422778903 1096488761 /nfs/dbraw/zinc/48/87/61/1096488761.db2.gz FGMKEJRPCHZNAT-NHCUHLMSSA-N 2 2 355.913 4.039 20 0 FIADLP C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F)c1c[nH+]ccc1N ZINC000422871904 1096516846 /nfs/dbraw/zinc/51/68/46/1096516846.db2.gz DVAWCEWVGNTZNX-QMMMGPOBSA-N 2 2 362.207 4.253 20 0 FIADLP c1coc([C@@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc2)c1 ZINC000422965908 1096533724 /nfs/dbraw/zinc/53/37/24/1096533724.db2.gz QBWPMPZGLKZFIL-AJSBUHFISA-N 2 2 360.457 4.215 20 0 FIADLP CSc1cccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccc(F)c(F)c2)c1 ZINC000423217710 1096620463 /nfs/dbraw/zinc/62/04/63/1096620463.db2.gz UKTAZMRJPGZTHW-JLTOFOAXSA-N 2 2 362.489 4.365 20 0 FIADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423288810 1096635043 /nfs/dbraw/zinc/63/50/43/1096635043.db2.gz VENBGVOBRDWTKF-JTQLQIEISA-N 2 2 352.372 4.058 20 0 FIADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423288811 1096635205 /nfs/dbraw/zinc/63/52/05/1096635205.db2.gz VENBGVOBRDWTKF-SNVBAGLBSA-N 2 2 352.372 4.058 20 0 FIADLP O=C(Nc1ccccc1)c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000533025811 1098677967 /nfs/dbraw/zinc/67/79/67/1098677967.db2.gz IRVRLVSHWDMZIX-UHFFFAOYSA-N 2 2 360.461 4.042 20 0 FIADLP COc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)ccc1OC(C)C ZINC000515557683 1098718167 /nfs/dbraw/zinc/71/81/67/1098718167.db2.gz ZOJJEBMTCYIQDE-UHFFFAOYSA-N 2 2 371.525 4.371 20 0 FIADLP C[N@@H+](Cc1cnc(-c2ccccc2)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000533311120 1098946353 /nfs/dbraw/zinc/94/63/53/1098946353.db2.gz OVEKZRPBJSSXOU-NRFANRHFSA-N 2 2 372.516 4.098 20 0 FIADLP C[N@H+](Cc1cnc(-c2ccccc2)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000533311120 1098946358 /nfs/dbraw/zinc/94/63/58/1098946358.db2.gz OVEKZRPBJSSXOU-NRFANRHFSA-N 2 2 372.516 4.098 20 0 FIADLP C[NH+](Cc1cnc(-c2ccccc2)nc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000533311120 1098946360 /nfs/dbraw/zinc/94/63/60/1098946360.db2.gz OVEKZRPBJSSXOU-NRFANRHFSA-N 2 2 372.516 4.098 20 0 FIADLP C[NH+](Cc1cnc(-c2ccccc2)nc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000533311120 1098946364 /nfs/dbraw/zinc/94/63/64/1098946364.db2.gz OVEKZRPBJSSXOU-NRFANRHFSA-N 2 2 372.516 4.098 20 0 FIADLP Cc1cc(C)c(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c(C)[nH+]1 ZINC000455463265 1099234456 /nfs/dbraw/zinc/23/44/56/1099234456.db2.gz CIZSRMIKWFXWFT-MRXNPFEDSA-N 2 2 354.498 4.258 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC000455507271 1099290809 /nfs/dbraw/zinc/29/08/09/1099290809.db2.gz YYOVFZSJWSFMNJ-OXJNMPFZSA-N 2 2 366.509 4.039 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC000455507271 1099290818 /nfs/dbraw/zinc/29/08/18/1099290818.db2.gz YYOVFZSJWSFMNJ-OXJNMPFZSA-N 2 2 366.509 4.039 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000161594023 1099517010 /nfs/dbraw/zinc/51/70/10/1099517010.db2.gz PCLNNGMTQLGYMA-UTKZUKDTSA-N 2 2 369.940 4.267 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000161594023 1099517020 /nfs/dbraw/zinc/51/70/20/1099517020.db2.gz PCLNNGMTQLGYMA-UTKZUKDTSA-N 2 2 369.940 4.267 20 0 FIADLP Cn1cc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccc(Cl)cc21 ZINC000437032966 1099545840 /nfs/dbraw/zinc/54/58/40/1099545840.db2.gz MWUDREQMUZOUER-UHFFFAOYSA-N 2 2 368.912 4.028 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(Cl)c1F ZINC000161908143 1099551616 /nfs/dbraw/zinc/55/16/16/1099551616.db2.gz ROXKUHIGFIZBFD-FHWLQOOXSA-N 2 2 368.924 4.288 20 0 FIADLP C[N@H+](Cc1cc(Br)c(Cl)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000516894656 1099919674 /nfs/dbraw/zinc/91/96/74/1099919674.db2.gz NUQQPGNWAWHQEE-ZACCUICWSA-N 2 2 363.752 4.221 20 0 FIADLP C[N@@H+](Cc1cc(Br)c(Cl)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000516894656 1099919676 /nfs/dbraw/zinc/91/96/76/1099919676.db2.gz NUQQPGNWAWHQEE-ZACCUICWSA-N 2 2 363.752 4.221 20 0 FIADLP C[NH+](Cc1cc(Br)c(Cl)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000516894656 1099919678 /nfs/dbraw/zinc/91/96/78/1099919678.db2.gz NUQQPGNWAWHQEE-ZACCUICWSA-N 2 2 363.752 4.221 20 0 FIADLP C[NH+](Cc1cc(Br)c(Cl)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000516894656 1099919682 /nfs/dbraw/zinc/91/96/82/1099919682.db2.gz NUQQPGNWAWHQEE-ZACCUICWSA-N 2 2 363.752 4.221 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000162643899 1099933148 /nfs/dbraw/zinc/93/31/48/1099933148.db2.gz OYTCOIOHHZCALS-QGZVFWFLSA-N 2 2 362.477 4.440 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536673401 1100157578 /nfs/dbraw/zinc/15/75/78/1100157578.db2.gz FPGOSWDREHFYNU-JOCHJYFZSA-N 2 2 374.532 4.135 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536673401 1100157592 /nfs/dbraw/zinc/15/75/92/1100157592.db2.gz FPGOSWDREHFYNU-JOCHJYFZSA-N 2 2 374.532 4.135 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536673401 1100157604 /nfs/dbraw/zinc/15/76/04/1100157604.db2.gz FPGOSWDREHFYNU-JOCHJYFZSA-N 2 2 374.532 4.135 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536673401 1100157614 /nfs/dbraw/zinc/15/76/14/1100157614.db2.gz FPGOSWDREHFYNU-JOCHJYFZSA-N 2 2 374.532 4.135 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)CC2=Cc3ccccc3OC2)CC[N@@H+]1Cc1ccccc1 ZINC000536675520 1100164021 /nfs/dbraw/zinc/16/40/21/1100164021.db2.gz TWHPZIBNAHMIRK-CVDCTZTESA-N 2 2 362.517 4.447 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)CC2=Cc3ccccc3OC2)CC[N@H+]1Cc1ccccc1 ZINC000536675520 1100164029 /nfs/dbraw/zinc/16/40/29/1100164029.db2.gz TWHPZIBNAHMIRK-CVDCTZTESA-N 2 2 362.517 4.447 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)CC2=Cc3ccccc3OC2)CC[NH+]1Cc1ccccc1 ZINC000536675520 1100164035 /nfs/dbraw/zinc/16/40/35/1100164035.db2.gz TWHPZIBNAHMIRK-CVDCTZTESA-N 2 2 362.517 4.447 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)CC2=Cc3ccccc3OC2)CC[NH+]1Cc1ccccc1 ZINC000536675520 1100164045 /nfs/dbraw/zinc/16/40/45/1100164045.db2.gz TWHPZIBNAHMIRK-CVDCTZTESA-N 2 2 362.517 4.447 20 0 FIADLP COc1ccc(C[N@H+](CCc2c[nH+]cn2C)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000459461525 1100205442 /nfs/dbraw/zinc/20/54/42/1100205442.db2.gz GDRYNQNAAPZFFJ-YLJYHZDGSA-N 2 2 371.525 4.061 20 0 FIADLP COc1ccc(C[N@@H+](CCc2c[nH+]cn2C)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000459461525 1100205448 /nfs/dbraw/zinc/20/54/48/1100205448.db2.gz GDRYNQNAAPZFFJ-YLJYHZDGSA-N 2 2 371.525 4.061 20 0 FIADLP C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000459562219 1100299548 /nfs/dbraw/zinc/29/95/48/1100299548.db2.gz NQFSOOFLOMFTFQ-DHBDYNCWSA-N 2 2 359.473 4.149 20 0 FIADLP C[C@H](Cc1ccccc1Br)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000536842766 1100353432 /nfs/dbraw/zinc/35/34/32/1100353432.db2.gz AWAOYDGOABURPG-OAHLLOKOSA-N 2 2 374.326 4.034 20 0 FIADLP C[N@H+](Cc1cc2c(cccc2F)[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000438115361 1100440136 /nfs/dbraw/zinc/44/01/36/1100440136.db2.gz HMJLVPJZDIRHHP-UHFFFAOYSA-N 2 2 351.469 4.403 20 0 FIADLP C[N@@H+](Cc1cc2c(cccc2F)[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000438115361 1100440144 /nfs/dbraw/zinc/44/01/44/1100440144.db2.gz HMJLVPJZDIRHHP-UHFFFAOYSA-N 2 2 351.469 4.403 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000425999505 1100643228 /nfs/dbraw/zinc/64/32/28/1100643228.db2.gz DGMNGWFWSHEPJM-UHFFFAOYSA-N 2 2 355.463 4.150 20 0 FIADLP Cc1ccc2cc([C@@H](C)[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)oc2c1 ZINC000426032983 1100699920 /nfs/dbraw/zinc/69/99/20/1100699920.db2.gz AGLQKTVLCVNCCV-WZONZLPQSA-N 2 2 364.489 4.029 20 0 FIADLP Cc1ccc2cc([C@@H](C)[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)oc2c1 ZINC000426032983 1100699926 /nfs/dbraw/zinc/69/99/26/1100699926.db2.gz AGLQKTVLCVNCCV-WZONZLPQSA-N 2 2 364.489 4.029 20 0 FIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000506341412 1100891118 /nfs/dbraw/zinc/89/11/18/1100891118.db2.gz PLULYDCEPIJROY-UHFFFAOYSA-N 2 2 368.569 4.474 20 0 FIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000506341412 1100891127 /nfs/dbraw/zinc/89/11/27/1100891127.db2.gz PLULYDCEPIJROY-UHFFFAOYSA-N 2 2 368.569 4.474 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2)cn1 ZINC000177232993 1101489251 /nfs/dbraw/zinc/48/92/51/1101489251.db2.gz PXBOEHPZEOGMTA-CYBMUJFWSA-N 2 2 371.282 4.189 20 0 FIADLP CCOc1cccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1OC(F)F ZINC000518763358 1101518862 /nfs/dbraw/zinc/51/88/62/1101518862.db2.gz DMGYMXIIAKUNRS-HZPDHXFCSA-N 2 2 370.484 4.144 20 0 FIADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@H]3C[C@H]3c3ccccc3)CCCC2)no1 ZINC000537305758 1101631036 /nfs/dbraw/zinc/63/10/36/1101631036.db2.gz JTWBTSUCMHNTCH-MOPGFXCFSA-N 2 2 368.525 4.074 20 0 FIADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@@H]3C[C@@H]3c3ccccc3)CCCC2)no1 ZINC000537305759 1101631664 /nfs/dbraw/zinc/63/16/64/1101631664.db2.gz JTWBTSUCMHNTCH-RBUKOAKNSA-N 2 2 368.525 4.074 20 0 FIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537317956 1101648955 /nfs/dbraw/zinc/64/89/55/1101648955.db2.gz JILYMFZGPHSKCA-VQIMIIECSA-N 2 2 363.427 4.273 20 0 FIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537317956 1101648960 /nfs/dbraw/zinc/64/89/60/1101648960.db2.gz JILYMFZGPHSKCA-VQIMIIECSA-N 2 2 363.427 4.273 20 0 FIADLP C[C@@H](C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cc(F)cc(F)c1 ZINC000648462544 1102014344 /nfs/dbraw/zinc/01/43/44/1102014344.db2.gz JCKVHQXSISIPOX-MGPUTAFESA-N 2 2 355.432 4.375 20 0 FIADLP COc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2Cl)cc1OC ZINC000643465564 1102132211 /nfs/dbraw/zinc/13/22/11/1102132211.db2.gz WFBPJWJPWJELIK-IERDGZPVSA-N 2 2 374.912 4.178 20 0 FIADLP Cc1cccc(CC[C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000537486091 1102166108 /nfs/dbraw/zinc/16/61/08/1102166108.db2.gz DJJMHGXUXMFZOJ-IBGZPJMESA-N 2 2 366.553 4.354 20 0 FIADLP CCCCO[C@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1(C)C ZINC000537486355 1102171849 /nfs/dbraw/zinc/17/18/49/1102171849.db2.gz ODJCRYYKQSOSOC-PMACEKPBSA-N 2 2 374.573 4.008 20 0 FIADLP Brc1sccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388768399 1102307132 /nfs/dbraw/zinc/30/71/32/1102307132.db2.gz ZVWKCTBFMPGINK-OAHLLOKOSA-N 2 2 365.340 4.122 20 0 FIADLP Brc1sccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388768399 1102307150 /nfs/dbraw/zinc/30/71/50/1102307150.db2.gz ZVWKCTBFMPGINK-OAHLLOKOSA-N 2 2 365.340 4.122 20 0 FIADLP COc1cccc(C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C2CC2)c1 ZINC000121036225 1102311622 /nfs/dbraw/zinc/31/16/22/1102311622.db2.gz YWMZJSSZKQQTOF-HSZRJFAPSA-N 2 2 361.489 4.051 20 0 FIADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1Cl ZINC000532448253 1102341526 /nfs/dbraw/zinc/34/15/26/1102341526.db2.gz SRQJJWUVXBDFEC-HNNXBMFYSA-N 2 2 355.869 4.444 20 0 FIADLP FC(F)(F)Cc1ncc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000894470493 1102395191 /nfs/dbraw/zinc/39/51/91/1102395191.db2.gz ANGZLFALILAXOG-UHFFFAOYSA-N 2 2 372.460 4.137 20 0 FIADLP O=C(CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(Cl)cc1 ZINC000048824930 1102448463 /nfs/dbraw/zinc/44/84/63/1102448463.db2.gz YBFIYWAKOFMMQA-UHFFFAOYSA-N 2 2 368.868 4.034 20 0 FIADLP c1cn(-c2ccccc2C[NH2+]Cc2ccccc2OCc2cccnc2)c[nH+]1 ZINC000107044569 1102476462 /nfs/dbraw/zinc/47/64/62/1102476462.db2.gz ZEGYDGVFKKAGJT-UHFFFAOYSA-N 2 2 370.456 4.136 20 0 FIADLP C[NH+]1CCC2(CC1)CC[NH+](Cc1c(F)cc(Br)cc1F)CC2 ZINC001141563587 1102696994 /nfs/dbraw/zinc/69/69/94/1102696994.db2.gz MCORSILGBMBQOO-UHFFFAOYSA-N 2 2 373.285 4.035 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2cc3ccccc3s2)CC1 ZINC000550271247 1102903384 /nfs/dbraw/zinc/90/33/84/1102903384.db2.gz LDEHMBPOWXQGSW-UHFFFAOYSA-N 2 2 356.457 4.450 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000537696222 1102951999 /nfs/dbraw/zinc/95/19/99/1102951999.db2.gz FELYXBIDLRHNEX-DYESRHJHSA-N 2 2 372.944 4.059 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000537696222 1102952003 /nfs/dbraw/zinc/95/20/03/1102952003.db2.gz FELYXBIDLRHNEX-DYESRHJHSA-N 2 2 372.944 4.059 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000537696222 1102952006 /nfs/dbraw/zinc/95/20/06/1102952006.db2.gz FELYXBIDLRHNEX-DYESRHJHSA-N 2 2 372.944 4.059 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000537696222 1102952008 /nfs/dbraw/zinc/95/20/08/1102952008.db2.gz FELYXBIDLRHNEX-DYESRHJHSA-N 2 2 372.944 4.059 20 0 FIADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000476986057 1103004252 /nfs/dbraw/zinc/00/42/52/1103004252.db2.gz QTARFTIXTFHBOA-INIZCTEOSA-N 2 2 374.554 4.275 20 0 FIADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000476986057 1103004264 /nfs/dbraw/zinc/00/42/64/1103004264.db2.gz QTARFTIXTFHBOA-INIZCTEOSA-N 2 2 374.554 4.275 20 0 FIADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000507377061 1103332468 /nfs/dbraw/zinc/33/24/68/1103332468.db2.gz HQQJRPNISWUVLE-GOSISDBHSA-N 2 2 362.477 4.112 20 0 FIADLP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000551537123 1103337733 /nfs/dbraw/zinc/33/77/33/1103337733.db2.gz MNRISXRXLZYNOF-FCHUYYIVSA-N 2 2 361.489 4.267 20 0 FIADLP Cc1csc(C2([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)CCC2)n1 ZINC000507459405 1103403953 /nfs/dbraw/zinc/40/39/53/1103403953.db2.gz FWVLJHLOQZRDKY-VAMGGRTRSA-N 2 2 367.562 4.331 20 0 FIADLP Cc1csc(C2([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)CCC2)n1 ZINC000507459405 1103403961 /nfs/dbraw/zinc/40/39/61/1103403961.db2.gz FWVLJHLOQZRDKY-VAMGGRTRSA-N 2 2 367.562 4.331 20 0 FIADLP c1cc([C@@H]2CCC[NH+]2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cs1 ZINC000551694062 1103519052 /nfs/dbraw/zinc/51/90/52/1103519052.db2.gz MEHWZFHOXSPPQN-RTWAWAEBSA-N 2 2 356.535 4.176 20 0 FIADLP c1cc([C@@H]2CCC[NH+]2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000551694062 1103519066 /nfs/dbraw/zinc/51/90/66/1103519066.db2.gz MEHWZFHOXSPPQN-RTWAWAEBSA-N 2 2 356.535 4.176 20 0 FIADLP c1cc([C@@H]2CCC[N@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cs1 ZINC000551694062 1103519078 /nfs/dbraw/zinc/51/90/78/1103519078.db2.gz MEHWZFHOXSPPQN-RTWAWAEBSA-N 2 2 356.535 4.176 20 0 FIADLP c1cc([C@@H]2CCC[N@@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cs1 ZINC000551694062 1103519087 /nfs/dbraw/zinc/51/90/87/1103519087.db2.gz MEHWZFHOXSPPQN-RTWAWAEBSA-N 2 2 356.535 4.176 20 0 FIADLP O=C(CC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1cccc(Cl)c1 ZINC000519791419 1103856447 /nfs/dbraw/zinc/85/64/47/1103856447.db2.gz KIIJGDOPASDSGF-FQEVSTJZSA-N 2 2 371.912 4.095 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000537763522 1103921357 /nfs/dbraw/zinc/92/13/57/1103921357.db2.gz KMWNGHONKAJAPZ-GCJKJVERSA-N 2 2 367.512 4.044 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000537763522 1103921358 /nfs/dbraw/zinc/92/13/58/1103921358.db2.gz KMWNGHONKAJAPZ-GCJKJVERSA-N 2 2 367.512 4.044 20 0 FIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)sc2Cl)[C@H](C)C1 ZINC000537766446 1103924222 /nfs/dbraw/zinc/92/42/22/1103924222.db2.gz CBNAEQQIFHKUHR-TZMCWYRMSA-N 2 2 365.370 4.282 20 0 FIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)sc2Cl)[C@H](C)C1 ZINC000537766446 1103924228 /nfs/dbraw/zinc/92/42/28/1103924228.db2.gz CBNAEQQIFHKUHR-TZMCWYRMSA-N 2 2 365.370 4.282 20 0 FIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)sc2Cl)[C@@H](C)C1 ZINC000537766439 1103924898 /nfs/dbraw/zinc/92/48/98/1103924898.db2.gz CBNAEQQIFHKUHR-JSGCOSHPSA-N 2 2 365.370 4.282 20 0 FIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)sc2Cl)[C@@H](C)C1 ZINC000537766439 1103924902 /nfs/dbraw/zinc/92/49/02/1103924902.db2.gz CBNAEQQIFHKUHR-JSGCOSHPSA-N 2 2 365.370 4.282 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000280836848 1105082977 /nfs/dbraw/zinc/08/29/77/1105082977.db2.gz LOYFISWCHZEZOK-JTSKRJEESA-N 2 2 350.510 4.133 20 0 FIADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000427850613 1105295454 /nfs/dbraw/zinc/29/54/54/1105295454.db2.gz IOSDICRUVBBBPW-WZONZLPQSA-N 2 2 365.521 4.350 20 0 FIADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000427850613 1105295457 /nfs/dbraw/zinc/29/54/57/1105295457.db2.gz IOSDICRUVBBBPW-WZONZLPQSA-N 2 2 365.521 4.350 20 0 FIADLP Cc1cccc(COc2ccc([C@H](C)[NH2+][C@@H]3CCn4cc[nH+]c4C3)cc2)c1 ZINC000427880023 1105300131 /nfs/dbraw/zinc/30/01/31/1105300131.db2.gz DQFNZVAGFIKRNI-GHTZIAJQSA-N 2 2 361.489 4.436 20 0 FIADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(SCC(F)(F)F)cc1 ZINC000427879822 1105300440 /nfs/dbraw/zinc/30/04/40/1105300440.db2.gz YPXNDEAVYVNCDS-TZMCWYRMSA-N 2 2 355.429 4.203 20 0 FIADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc2ccccc2c1OC(F)F ZINC000427869518 1105305113 /nfs/dbraw/zinc/30/51/13/1105305113.db2.gz SOTXXTKLPLGRKD-HIFRSBDPSA-N 2 2 357.404 4.303 20 0 FIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427872506 1105306646 /nfs/dbraw/zinc/30/66/46/1105306646.db2.gz MKRGFSKWTWSOCZ-BLLLJJGKSA-N 2 2 356.470 4.120 20 0 FIADLP Fc1cccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccc(Cl)c2)c1 ZINC000427881152 1105308377 /nfs/dbraw/zinc/30/83/77/1105308377.db2.gz XYPMSXWJJIIYKK-ICSRJNTNSA-N 2 2 355.844 4.370 20 0 FIADLP FC(F)Oc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427886876 1105311043 /nfs/dbraw/zinc/31/10/43/1105311043.db2.gz NXOATZZNDOVFKR-XLIONFOSSA-N 2 2 369.415 4.179 20 0 FIADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(OC)cc1 ZINC000390648377 1106737451 /nfs/dbraw/zinc/73/74/51/1106737451.db2.gz IWDFIQIEAYUFNV-GOTSBHOMSA-N 2 2 368.521 4.027 20 0 FIADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(OC)cc1 ZINC000390648377 1106737460 /nfs/dbraw/zinc/73/74/60/1106737460.db2.gz IWDFIQIEAYUFNV-GOTSBHOMSA-N 2 2 368.521 4.027 20 0 FIADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)s1 ZINC000390614495 1106737549 /nfs/dbraw/zinc/73/75/49/1106737549.db2.gz XSLLDLRIDZTBCF-XLIONFOSSA-N 2 2 358.551 4.307 20 0 FIADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)s1 ZINC000390614495 1106737558 /nfs/dbraw/zinc/73/75/58/1106737558.db2.gz XSLLDLRIDZTBCF-XLIONFOSSA-N 2 2 358.551 4.307 20 0 FIADLP CC(C)(C)c1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000390665793 1106738843 /nfs/dbraw/zinc/73/88/43/1106738843.db2.gz QXAXOSMWMBDAFT-HXUWFJFHSA-N 2 2 366.553 4.164 20 0 FIADLP CC(C)(C)c1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000390665793 1106738860 /nfs/dbraw/zinc/73/88/60/1106738860.db2.gz QXAXOSMWMBDAFT-HXUWFJFHSA-N 2 2 366.553 4.164 20 0 FIADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CS1 ZINC000475357869 1106758067 /nfs/dbraw/zinc/75/80/67/1106758067.db2.gz ZCFKVZQLFAFTLH-GYTBAZASSA-N 2 2 364.521 4.302 20 0 FIADLP O=C(CCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000450925158 1106820346 /nfs/dbraw/zinc/82/03/46/1106820346.db2.gz HTXDXEOECLCNEW-LJQANCHMSA-N 2 2 351.494 4.062 20 0 FIADLP O=C(CCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000450925158 1106820364 /nfs/dbraw/zinc/82/03/64/1106820364.db2.gz HTXDXEOECLCNEW-LJQANCHMSA-N 2 2 351.494 4.062 20 0 FIADLP Cc1cccc(Oc2ccccc2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655711460 1106835943 /nfs/dbraw/zinc/83/59/43/1106835943.db2.gz GONGFWHBDHDGMZ-NRFANRHFSA-N 2 2 366.505 4.130 20 0 FIADLP Cc1nc2c(s1)C[NH+]([C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001168064684 1106875525 /nfs/dbraw/zinc/87/55/25/1106875525.db2.gz RIQASTGCZXFDCW-HGKCTWBKSA-N 2 2 355.551 4.251 20 0 FIADLP Cc1nc2c(s1)C[NH+]([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001168064684 1106875542 /nfs/dbraw/zinc/87/55/42/1106875542.db2.gz RIQASTGCZXFDCW-HGKCTWBKSA-N 2 2 355.551 4.251 20 0 FIADLP Cc1nc2c(s1)C[N@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001168064684 1106875564 /nfs/dbraw/zinc/87/55/64/1106875564.db2.gz RIQASTGCZXFDCW-HGKCTWBKSA-N 2 2 355.551 4.251 20 0 FIADLP Cc1nc2c(s1)C[N@@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001168064684 1106875583 /nfs/dbraw/zinc/87/55/83/1106875583.db2.gz RIQASTGCZXFDCW-HGKCTWBKSA-N 2 2 355.551 4.251 20 0 FIADLP Cc1cccc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)[nH+]1 ZINC000301303749 1106987258 /nfs/dbraw/zinc/98/72/58/1106987258.db2.gz WXFOQIKXTYGDSU-UHFFFAOYSA-N 2 2 360.299 4.229 20 0 FIADLP Cc1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301617722 1107089622 /nfs/dbraw/zinc/08/96/22/1107089622.db2.gz AXWAUGQNTKPEGK-BFUOFWGJSA-N 2 2 372.419 4.429 20 0 FIADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000302688212 1107407781 /nfs/dbraw/zinc/40/77/81/1107407781.db2.gz YUMMLJOCVLKFJE-APWZRJJASA-N 2 2 351.494 4.005 20 0 FIADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000302688212 1107407783 /nfs/dbraw/zinc/40/77/83/1107407783.db2.gz YUMMLJOCVLKFJE-APWZRJJASA-N 2 2 351.494 4.005 20 0 FIADLP Cc1nc(C(C)C)oc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000428350519 1107425979 /nfs/dbraw/zinc/42/59/79/1107425979.db2.gz UYYWZIYBRBMYMI-LFUKPOHLSA-N 2 2 355.526 4.353 20 0 FIADLP Cc1nc(C(C)C)oc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000428350519 1107425983 /nfs/dbraw/zinc/42/59/83/1107425983.db2.gz UYYWZIYBRBMYMI-LFUKPOHLSA-N 2 2 355.526 4.353 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Br)cn1 ZINC000475507658 1107587027 /nfs/dbraw/zinc/58/70/27/1107587027.db2.gz KWDWZLLODSLCRC-CQSZACIVSA-N 2 2 366.347 4.292 20 0 FIADLP COc1ccc(-c2ccccc2)cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475550639 1107711078 /nfs/dbraw/zinc/71/10/78/1107711078.db2.gz IICASYXWVFDFCP-UHFFFAOYSA-N 2 2 350.506 4.469 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000453258145 1108331693 /nfs/dbraw/zinc/33/16/93/1108331693.db2.gz AFNGRPMWNFOJTE-MAUKXSAKSA-N 2 2 363.427 4.101 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000453258145 1108331708 /nfs/dbraw/zinc/33/17/08/1108331708.db2.gz AFNGRPMWNFOJTE-MAUKXSAKSA-N 2 2 363.427 4.101 20 0 FIADLP Cc1nc2c(s1)[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)CCC2 ZINC000453242466 1108348555 /nfs/dbraw/zinc/34/85/55/1108348555.db2.gz XYJHCGCQHVDJHI-HNNXBMFYSA-N 2 2 358.898 4.458 20 0 FIADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453319024 1108409677 /nfs/dbraw/zinc/40/96/77/1108409677.db2.gz CJGRHKMIYZFKRB-XTQVGHSUSA-N 2 2 371.569 4.414 20 0 FIADLP CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453322568 1108413531 /nfs/dbraw/zinc/41/35/31/1108413531.db2.gz IRYZIXQCICIEJO-SIKLNZKXSA-N 2 2 357.542 4.168 20 0 FIADLP Cc1cc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nc(C2CC2)[nH+]1 ZINC000523875902 1108638829 /nfs/dbraw/zinc/63/88/29/1108638829.db2.gz ARSCOSDLEIDJCD-UHFFFAOYSA-N 2 2 350.510 4.011 20 0 FIADLP Cc1cc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)nc(C2CC2)[nH+]1 ZINC000523875902 1108638835 /nfs/dbraw/zinc/63/88/35/1108638835.db2.gz ARSCOSDLEIDJCD-UHFFFAOYSA-N 2 2 350.510 4.011 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)[C@@H](C)C1 ZINC000532195175 1108703164 /nfs/dbraw/zinc/70/31/64/1108703164.db2.gz GMFAOILGXVUSAP-HOCLYGCPSA-N 2 2 355.507 4.376 20 0 FIADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)[C@@H](C)C1 ZINC000532195175 1108703177 /nfs/dbraw/zinc/70/31/77/1108703177.db2.gz GMFAOILGXVUSAP-HOCLYGCPSA-N 2 2 355.507 4.376 20 0 FIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000532194624 1108703915 /nfs/dbraw/zinc/70/39/15/1108703915.db2.gz BDEDHXCLEBQANR-KGLIPLIRSA-N 2 2 356.297 4.416 20 0 FIADLP C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532249679 1108727236 /nfs/dbraw/zinc/72/72/36/1108727236.db2.gz ZIHSCAQPCLNQGH-KKSFZXQISA-N 2 2 368.912 4.479 20 0 FIADLP COc1ccc2c(c1)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)CCCS2 ZINC000446826487 1109352269 /nfs/dbraw/zinc/35/22/69/1109352269.db2.gz NZVUXTOARRBTFO-SFHVURJKSA-N 2 2 357.523 4.499 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000447849474 1109658882 /nfs/dbraw/zinc/65/88/82/1109658882.db2.gz IAPGSUIAOQCWRK-NQIIRXRSSA-N 2 2 360.505 4.077 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000447849474 1109658884 /nfs/dbraw/zinc/65/88/84/1109658884.db2.gz IAPGSUIAOQCWRK-NQIIRXRSSA-N 2 2 360.505 4.077 20 0 FIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000447939288 1109677047 /nfs/dbraw/zinc/67/70/47/1109677047.db2.gz JQRHGOKQDZQYPD-LJQANCHMSA-N 2 2 360.505 4.188 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(F)c(Br)cc1F ZINC000527847335 1109846317 /nfs/dbraw/zinc/84/63/17/1109846317.db2.gz HHHGEAUMWQHAPB-NSHDSACASA-N 2 2 373.285 4.252 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000527948472 1109866643 /nfs/dbraw/zinc/86/66/43/1109866643.db2.gz LOSPRMZETFXKHA-IIBYNOLFSA-N 2 2 370.541 4.028 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000527948472 1109866646 /nfs/dbraw/zinc/86/66/46/1109866646.db2.gz LOSPRMZETFXKHA-IIBYNOLFSA-N 2 2 370.541 4.028 20 0 FIADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527949354 1109867298 /nfs/dbraw/zinc/86/72/98/1109867298.db2.gz NAWNJCGEARVBNH-UTKZUKDTSA-N 2 2 372.557 4.274 20 0 FIADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527949354 1109867302 /nfs/dbraw/zinc/86/73/02/1109867302.db2.gz NAWNJCGEARVBNH-UTKZUKDTSA-N 2 2 372.557 4.274 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(F)c(Br)cc2F)CC1 ZINC000527979837 1109873676 /nfs/dbraw/zinc/87/36/76/1109873676.db2.gz LTVNNXBGWXKPCB-UHFFFAOYSA-N 2 2 361.274 4.080 20 0 FIADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CC2 ZINC000449079159 1109974514 /nfs/dbraw/zinc/97/45/14/1109974514.db2.gz XIXYWTLRXYNGMV-KRWDZBQOSA-N 2 2 357.379 4.126 20 0 FIADLP CCCc1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000449613318 1110123761 /nfs/dbraw/zinc/12/37/61/1110123761.db2.gz ROICRQDFBIBIAR-HLAWJBBLSA-N 2 2 353.510 4.017 20 0 FIADLP CCCc1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000449613318 1110123766 /nfs/dbraw/zinc/12/37/66/1110123766.db2.gz ROICRQDFBIBIAR-HLAWJBBLSA-N 2 2 353.510 4.017 20 0 FIADLP CC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1F ZINC000538557711 1111192831 /nfs/dbraw/zinc/19/28/31/1111192831.db2.gz KMPVIWHNKWXRIL-LPHOPBHVSA-N 2 2 360.452 4.063 20 0 FIADLP COc1ccc(Cl)cc1[C@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000538558364 1111193398 /nfs/dbraw/zinc/19/33/98/1111193398.db2.gz AIJHFYVIMIEFBJ-WMLDXEAASA-N 2 2 374.916 4.057 20 0 FIADLP Cc1cccc2c1[C@H](C)C[C@@H]2Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000538559896 1111193945 /nfs/dbraw/zinc/19/39/45/1111193945.db2.gz OHLZIEJRQZOHPU-KPFFTGBYSA-N 2 2 350.510 4.191 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000538559716 1111194051 /nfs/dbraw/zinc/19/40/51/1111194051.db2.gz KMMUWAAHTUKWLX-RXVVDRJESA-N 2 2 350.510 4.004 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000538559716 1111194052 /nfs/dbraw/zinc/19/40/52/1111194052.db2.gz KMMUWAAHTUKWLX-RXVVDRJESA-N 2 2 350.510 4.004 20 0 FIADLP CC[N@@H+](Cc1cnc(CC(C)C)s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000538718590 1111259479 /nfs/dbraw/zinc/25/94/79/1111259479.db2.gz AVPSSGDOGFQGEI-UHFFFAOYSA-N 2 2 372.582 4.475 20 0 FIADLP CC[N@H+](Cc1cnc(CC(C)C)s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000538718590 1111259484 /nfs/dbraw/zinc/25/94/84/1111259484.db2.gz AVPSSGDOGFQGEI-UHFFFAOYSA-N 2 2 372.582 4.475 20 0 FIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@@H]3CCCOCC3)cc2)c[nH+]1 ZINC000538869884 1111328797 /nfs/dbraw/zinc/32/87/97/1111328797.db2.gz VGOGPNCDSKBBKM-JOCHJYFZSA-N 2 2 361.489 4.257 20 0 FIADLP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000539049633 1111399559 /nfs/dbraw/zinc/39/95/59/1111399559.db2.gz MQCKCYYGUOIECY-FCHUYYIVSA-N 2 2 365.521 4.339 20 0 FIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c(C)c1 ZINC000539054825 1111402371 /nfs/dbraw/zinc/40/23/71/1111402371.db2.gz RLRWSCPXULYYME-PXNSSMCTSA-N 2 2 363.461 4.321 20 0 FIADLP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539065125 1111415512 /nfs/dbraw/zinc/41/55/12/1111415512.db2.gz HLSBZEPAVRNLPE-QYWGDWMGSA-N 2 2 353.441 4.438 20 0 FIADLP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000479069044 1111940220 /nfs/dbraw/zinc/94/02/20/1111940220.db2.gz YGTJZYFAOQKNHV-HXUWFJFHSA-N 2 2 361.493 4.127 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(Cl)ccc1OC(F)F)CCC2 ZINC000553507945 1111991315 /nfs/dbraw/zinc/99/13/15/1111991315.db2.gz OVNIEUBESKUBKF-LBPRGKRZSA-N 2 2 355.816 4.114 20 0 FIADLP CC(C)C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000479429925 1112026998 /nfs/dbraw/zinc/02/69/98/1112026998.db2.gz KCGZHGXYYOEGSA-SJORKVTESA-N 2 2 362.315 4.337 20 0 FIADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(F)c(F)c1 ZINC000479468783 1112042410 /nfs/dbraw/zinc/04/24/10/1112042410.db2.gz DZZCQVYNMYGICT-VCANKDNSSA-N 2 2 362.386 4.421 20 0 FIADLP C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480085842 1112271480 /nfs/dbraw/zinc/27/14/80/1112271480.db2.gz CXONFEDIYMVENO-GHTZIAJQSA-N 2 2 364.493 4.343 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480703537 1112554312 /nfs/dbraw/zinc/55/43/12/1112554312.db2.gz AZSBRCBALCZGNZ-GOSISDBHSA-N 2 2 361.493 4.108 20 0 FIADLP CC[N@H+](C[C@H]1CCC(C)(C)O1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000480760849 1112591349 /nfs/dbraw/zinc/59/13/49/1112591349.db2.gz BSVLKYGBHTYBNT-LJQANCHMSA-N 2 2 374.573 4.157 20 0 FIADLP CC[N@@H+](C[C@H]1CCC(C)(C)O1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000480760849 1112591352 /nfs/dbraw/zinc/59/13/52/1112591352.db2.gz BSVLKYGBHTYBNT-LJQANCHMSA-N 2 2 374.573 4.157 20 0 FIADLP FC(F)(F)c1ccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)nc1 ZINC001168364463 1112592048 /nfs/dbraw/zinc/59/20/48/1112592048.db2.gz CXOIBHJFVRVZEB-GOSISDBHSA-N 2 2 353.432 4.016 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1N(C)C ZINC000480770603 1112596954 /nfs/dbraw/zinc/59/69/54/1112596954.db2.gz PBIPCTNFYYYSGF-GOSISDBHSA-N 2 2 369.528 4.249 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000480777875 1112600877 /nfs/dbraw/zinc/60/08/77/1112600877.db2.gz JKJVSFXOSHNDQV-DLBZAZTESA-N 2 2 353.441 4.341 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c(F)c1 ZINC000481331524 1112902800 /nfs/dbraw/zinc/90/28/00/1112902800.db2.gz GZRREROUSPBWAS-QGZVFWFLSA-N 2 2 356.485 4.458 20 0 FIADLP Cc1[nH]c2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2c1C ZINC000481413138 1112929842 /nfs/dbraw/zinc/92/98/42/1112929842.db2.gz ALOYDWABGYGLKO-ZHRRBRCNSA-N 2 2 362.521 4.180 20 0 FIADLP Cc1[nH]c2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2c1C ZINC000481413138 1112929844 /nfs/dbraw/zinc/92/98/44/1112929844.db2.gz ALOYDWABGYGLKO-ZHRRBRCNSA-N 2 2 362.521 4.180 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000194359229 1113274068 /nfs/dbraw/zinc/27/40/68/1113274068.db2.gz YGEWZLGAHOQVGD-INIZCTEOSA-N 2 2 357.461 4.422 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c(Cl)s2)[C@@H](C)C1 ZINC000483256771 1113474729 /nfs/dbraw/zinc/47/47/29/1113474729.db2.gz OSWLCMYPNNDBTJ-GWCFXTLKSA-N 2 2 365.768 4.326 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c(Cl)s2)[C@@H](C)C1 ZINC000483256771 1113474732 /nfs/dbraw/zinc/47/47/32/1113474732.db2.gz OSWLCMYPNNDBTJ-GWCFXTLKSA-N 2 2 365.768 4.326 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)c(Cl)s2)[C@@H](C)C1 ZINC000483256771 1113474734 /nfs/dbraw/zinc/47/47/34/1113474734.db2.gz OSWLCMYPNNDBTJ-GWCFXTLKSA-N 2 2 365.768 4.326 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)c(Cl)s2)[C@@H](C)C1 ZINC000483256771 1113474737 /nfs/dbraw/zinc/47/47/37/1113474737.db2.gz OSWLCMYPNNDBTJ-GWCFXTLKSA-N 2 2 365.768 4.326 20 0 FIADLP C[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486514876 1113585530 /nfs/dbraw/zinc/58/55/30/1113585530.db2.gz FKAZJYGKBUNHNM-SJLPKXTDSA-N 2 2 367.518 4.403 20 0 FIADLP C[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486514876 1113585534 /nfs/dbraw/zinc/58/55/34/1113585534.db2.gz FKAZJYGKBUNHNM-SJLPKXTDSA-N 2 2 367.518 4.403 20 0 FIADLP Clc1ccc(C2=CC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)cc1 ZINC000668693816 1113658508 /nfs/dbraw/zinc/65/85/08/1113658508.db2.gz WEOAMXRWAKXCAT-CTNGQTDRSA-N 2 2 360.929 4.119 20 0 FIADLP CC[N@@H+](Cc1cc2ccc(F)cc2[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000488349703 1113913463 /nfs/dbraw/zinc/91/34/63/1113913463.db2.gz KOOAKBNSEOKEIU-UHFFFAOYSA-N 2 2 366.484 4.441 20 0 FIADLP CC[N@H+](Cc1cc2ccc(F)cc2[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000488349703 1113913466 /nfs/dbraw/zinc/91/34/66/1113913466.db2.gz KOOAKBNSEOKEIU-UHFFFAOYSA-N 2 2 366.484 4.441 20 0 FIADLP C[C@H](Cc1ccccc1F)[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000783279643 1115101522 /nfs/dbraw/zinc/10/15/22/1115101522.db2.gz ZHKFQPCDYRVLOE-QGZVFWFLSA-N 2 2 355.501 4.399 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000574996873 1115528461 /nfs/dbraw/zinc/52/84/61/1115528461.db2.gz SVNBSMPZBBLPPH-HOJAQTOUSA-N 2 2 361.489 4.343 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000574996873 1115528463 /nfs/dbraw/zinc/52/84/63/1115528463.db2.gz SVNBSMPZBBLPPH-HOJAQTOUSA-N 2 2 361.489 4.343 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000574996873 1115528466 /nfs/dbraw/zinc/52/84/66/1115528466.db2.gz SVNBSMPZBBLPPH-HOJAQTOUSA-N 2 2 361.489 4.343 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000574996873 1115528469 /nfs/dbraw/zinc/52/84/69/1115528469.db2.gz SVNBSMPZBBLPPH-HOJAQTOUSA-N 2 2 361.489 4.343 20 0 FIADLP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168415368 1115814894 /nfs/dbraw/zinc/81/48/94/1115814894.db2.gz AALZCYZEGVNUKM-GOSISDBHSA-N 2 2 358.888 4.286 20 0 FIADLP CC[NH+](CC)[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccsc1 ZINC000599497146 1115819684 /nfs/dbraw/zinc/81/96/84/1115819684.db2.gz GDZIJHFCMKHWRE-QGZVFWFLSA-N 2 2 359.543 4.023 20 0 FIADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168416260 1115849661 /nfs/dbraw/zinc/84/96/61/1115849661.db2.gz VWASQKUPVZQPLG-HSZRJFAPSA-N 2 2 370.487 4.385 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC[N@@H+]1C ZINC000608061570 1116079791 /nfs/dbraw/zinc/07/97/91/1116079791.db2.gz YYRDXNGPZQSGOC-XJKSGUPXSA-N 2 2 363.299 4.281 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC[N@H+]1C ZINC000608061570 1116079793 /nfs/dbraw/zinc/07/97/93/1116079793.db2.gz YYRDXNGPZQSGOC-XJKSGUPXSA-N 2 2 363.299 4.281 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC[N@@H+]1C ZINC000608061393 1116079868 /nfs/dbraw/zinc/07/98/68/1116079868.db2.gz SFFAMVSUWCDSLA-CJNGLKHVSA-N 2 2 363.299 4.281 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC[N@H+]1C ZINC000608061393 1116079869 /nfs/dbraw/zinc/07/98/69/1116079869.db2.gz SFFAMVSUWCDSLA-CJNGLKHVSA-N 2 2 363.299 4.281 20 0 FIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535044991 1116262504 /nfs/dbraw/zinc/26/25/04/1116262504.db2.gz DHHNEEDNYOERFI-HIFRSBDPSA-N 2 2 356.857 4.279 20 0 FIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535044991 1116262506 /nfs/dbraw/zinc/26/25/06/1116262506.db2.gz DHHNEEDNYOERFI-HIFRSBDPSA-N 2 2 356.857 4.279 20 0 FIADLP Cc1c2ccccc2oc1[C@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000539660062 1116361059 /nfs/dbraw/zinc/36/10/59/1116361059.db2.gz SXWIOZZEUYBHNJ-FUHWJXTLSA-N 2 2 364.493 4.450 20 0 FIADLP Cc1ccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(C)c1 ZINC000539688362 1116364875 /nfs/dbraw/zinc/36/48/75/1116364875.db2.gz GRZBWAYHDGJKSW-SFHVURJKSA-N 2 2 352.526 4.402 20 0 FIADLP C[C@H](CCc1ccccc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539689815 1116366182 /nfs/dbraw/zinc/36/61/82/1116366182.db2.gz RAMKFDLZGRMZNK-GOSISDBHSA-N 2 2 352.526 4.045 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C[C@@H]1C ZINC000539820941 1116385725 /nfs/dbraw/zinc/38/57/25/1116385725.db2.gz MBZCJXIDVLMIAI-RXVVDRJESA-N 2 2 354.542 4.300 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C[C@@H]1C ZINC000539820941 1116385726 /nfs/dbraw/zinc/38/57/26/1116385726.db2.gz MBZCJXIDVLMIAI-RXVVDRJESA-N 2 2 354.542 4.300 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C[C@@H]1C ZINC000539820941 1116385728 /nfs/dbraw/zinc/38/57/28/1116385728.db2.gz MBZCJXIDVLMIAI-RXVVDRJESA-N 2 2 354.542 4.300 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C[C@@H]1C ZINC000539820941 1116385730 /nfs/dbraw/zinc/38/57/30/1116385730.db2.gz MBZCJXIDVLMIAI-RXVVDRJESA-N 2 2 354.542 4.300 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C[C@@H]1C ZINC000539837954 1116386682 /nfs/dbraw/zinc/38/66/82/1116386682.db2.gz DXOORHRBPVLKFP-YWZLYKJASA-N 2 2 360.933 4.139 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C[C@@H]1C ZINC000539837954 1116386684 /nfs/dbraw/zinc/38/66/84/1116386684.db2.gz DXOORHRBPVLKFP-YWZLYKJASA-N 2 2 360.933 4.139 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C[C@@H]1C ZINC000539837954 1116386686 /nfs/dbraw/zinc/38/66/86/1116386686.db2.gz DXOORHRBPVLKFP-YWZLYKJASA-N 2 2 360.933 4.139 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C[C@@H]1C ZINC000539837954 1116386688 /nfs/dbraw/zinc/38/66/88/1116386688.db2.gz DXOORHRBPVLKFP-YWZLYKJASA-N 2 2 360.933 4.139 20 0 FIADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H](C)c3ccncc3)CC1)CCC2 ZINC000540150964 1117905726 /nfs/dbraw/zinc/90/57/26/1117905726.db2.gz JXZLIPUWFQFYSY-HXOBKFHXSA-N 2 2 365.521 4.283 20 0 FIADLP C[C@@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[NH+]1CCC(C)CC1 ZINC000463117646 1117977593 /nfs/dbraw/zinc/97/75/93/1117977593.db2.gz IUUSRDPININULS-SFHVURJKSA-N 2 2 363.977 4.014 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000463116174 1117977727 /nfs/dbraw/zinc/97/77/27/1117977727.db2.gz OQDCBNQJUWDSPR-WIYYLYMNSA-N 2 2 361.489 4.484 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)no2)CC[N@H+]1Cc1ccccc1 ZINC000463116174 1117977729 /nfs/dbraw/zinc/97/77/29/1117977729.db2.gz OQDCBNQJUWDSPR-WIYYLYMNSA-N 2 2 361.489 4.484 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 ZINC000463121615 1117979850 /nfs/dbraw/zinc/97/98/50/1117979850.db2.gz XVEKMELKANVGGW-HNNXBMFYSA-N 2 2 362.439 4.462 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463132482 1117983591 /nfs/dbraw/zinc/98/35/91/1117983591.db2.gz PFEYZVWFMJUXIX-HYBUGGRVSA-N 3 2 374.532 4.074 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463132482 1117983593 /nfs/dbraw/zinc/98/35/93/1117983593.db2.gz PFEYZVWFMJUXIX-HYBUGGRVSA-N 3 2 374.532 4.074 20 0 FIADLP C[C@@H]1C[C@H](NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463137726 1117985961 /nfs/dbraw/zinc/98/59/61/1117985961.db2.gz MPAHNAJJIMJDTC-YSZBQJHXSA-N 2 2 369.528 4.071 20 0 FIADLP C[C@@H]1C[C@H](NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463137726 1117985965 /nfs/dbraw/zinc/98/59/65/1117985965.db2.gz MPAHNAJJIMJDTC-YSZBQJHXSA-N 2 2 369.528 4.071 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000463211563 1118023541 /nfs/dbraw/zinc/02/35/41/1118023541.db2.gz HCPAEGYYVSCMFJ-BDTNDASRSA-N 2 2 353.510 4.086 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000463211563 1118023553 /nfs/dbraw/zinc/02/35/53/1118023553.db2.gz HCPAEGYYVSCMFJ-BDTNDASRSA-N 2 2 353.510 4.086 20 0 FIADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000540406922 1118036181 /nfs/dbraw/zinc/03/61/81/1118036181.db2.gz XJSZQHZBCQUTCZ-MLGOLLRUSA-N 2 2 366.328 4.108 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000540396011 1118039639 /nfs/dbraw/zinc/03/96/39/1118039639.db2.gz DMKGXILISBVVOC-VEXUSMLFSA-N 2 2 363.549 4.176 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000540396011 1118039645 /nfs/dbraw/zinc/03/96/45/1118039645.db2.gz DMKGXILISBVVOC-VEXUSMLFSA-N 2 2 363.549 4.176 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000540396010 1118039981 /nfs/dbraw/zinc/03/99/81/1118039981.db2.gz DMKGXILISBVVOC-FOVJLYNBSA-N 2 2 363.549 4.176 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000540396010 1118039983 /nfs/dbraw/zinc/03/99/83/1118039983.db2.gz DMKGXILISBVVOC-FOVJLYNBSA-N 2 2 363.549 4.176 20 0 FIADLP Fc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(F)cc1Cl ZINC000463239348 1118046866 /nfs/dbraw/zinc/04/68/66/1118046866.db2.gz YFXJPCPJBPCERV-UHFFFAOYSA-N 2 2 364.867 4.415 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(F)c1F ZINC000463283714 1118068821 /nfs/dbraw/zinc/06/88/21/1118068821.db2.gz PBYFCPPTXUCKBU-HNNXBMFYSA-N 2 2 362.439 4.462 20 0 FIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)C1CC1 ZINC000463267181 1118071424 /nfs/dbraw/zinc/07/14/24/1118071424.db2.gz OJZKIBIVKOAXRB-XMMPIXPASA-N 2 2 363.549 4.156 20 0 FIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)C1CC1 ZINC000463267181 1118071431 /nfs/dbraw/zinc/07/14/31/1118071431.db2.gz OJZKIBIVKOAXRB-XMMPIXPASA-N 2 2 363.549 4.156 20 0 FIADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000540544003 1118118467 /nfs/dbraw/zinc/11/84/67/1118118467.db2.gz JZABUZVTHDUYDN-LJQANCHMSA-N 2 2 371.488 4.223 20 0 FIADLP CCCCO[C@@H]1C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1(C)C ZINC000540597617 1118140484 /nfs/dbraw/zinc/14/04/84/1118140484.db2.gz VZQGCXXLTGAYQA-VQTJNVASSA-N 2 2 355.526 4.047 20 0 FIADLP Cc1cc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc(C)c1F ZINC000540758462 1118225872 /nfs/dbraw/zinc/22/58/72/1118225872.db2.gz LDDYAGFBAOASJG-VQIMIIECSA-N 2 2 356.489 4.151 20 0 FIADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc2ccccc2o1 ZINC000540758580 1118226018 /nfs/dbraw/zinc/22/60/18/1118226018.db2.gz LWZVHBOWMLUYJG-CRAIPNDOSA-N 2 2 350.466 4.141 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@H](Cc3ccccc3)C3CC3)[nH+]c2)CC1 ZINC000540787731 1118247196 /nfs/dbraw/zinc/24/71/96/1118247196.db2.gz VPKIBKLKWLYMRH-JOCHJYFZSA-N 2 2 364.537 4.045 20 0 FIADLP COc1ccc(OCCC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000541080901 1118381721 /nfs/dbraw/zinc/38/17/21/1118381721.db2.gz MAZMEWVXFMAXLO-QGZVFWFLSA-N 2 2 351.450 4.001 20 0 FIADLP COc1ccc(OCCC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000541080899 1118381953 /nfs/dbraw/zinc/38/19/53/1118381953.db2.gz MAZMEWVXFMAXLO-KRWDZBQOSA-N 2 2 351.450 4.001 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCCO1 ZINC000541541774 1118548420 /nfs/dbraw/zinc/54/84/20/1118548420.db2.gz HKOCZIZMTDQTOZ-WZONZLPQSA-N 2 2 361.489 4.256 20 0 FIADLP Cc1cc([C@@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)c2cccnc2)ccc1F ZINC000541548477 1118551871 /nfs/dbraw/zinc/55/18/71/1118551871.db2.gz LHHQQJWARHUCQE-HTAPYJJXSA-N 2 2 355.501 4.330 20 0 FIADLP COc1ccc(Cl)cc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843530 1118718527 /nfs/dbraw/zinc/71/85/27/1118718527.db2.gz VQNPWAUPUWDUIU-SFHVURJKSA-N 2 2 358.913 4.303 20 0 FIADLP COc1ccc(Cl)cc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843530 1118718530 /nfs/dbraw/zinc/71/85/30/1118718530.db2.gz VQNPWAUPUWDUIU-SFHVURJKSA-N 2 2 358.913 4.303 20 0 FIADLP COc1ccc(Cl)cc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843530 1118718533 /nfs/dbraw/zinc/71/85/33/1118718533.db2.gz VQNPWAUPUWDUIU-SFHVURJKSA-N 2 2 358.913 4.303 20 0 FIADLP COc1ccc(Cl)cc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843530 1118718536 /nfs/dbraw/zinc/71/85/36/1118718536.db2.gz VQNPWAUPUWDUIU-SFHVURJKSA-N 2 2 358.913 4.303 20 0 FIADLP O=C(CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1)Nc1cccc(Cl)c1 ZINC000542135735 1118811196 /nfs/dbraw/zinc/81/11/96/1118811196.db2.gz XDJWPJDGLGKPAN-UHFFFAOYSA-N 2 2 374.916 4.058 20 0 FIADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000669943389 1119008699 /nfs/dbraw/zinc/00/86/99/1119008699.db2.gz MLCYCHXFGQXSDO-KRWDZBQOSA-N 2 2 355.379 4.171 20 0 FIADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000669943389 1119008703 /nfs/dbraw/zinc/00/87/03/1119008703.db2.gz MLCYCHXFGQXSDO-KRWDZBQOSA-N 2 2 355.379 4.171 20 0 FIADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168448607 1119363627 /nfs/dbraw/zinc/36/36/27/1119363627.db2.gz NYVKXUWZKDDFHO-QHCPKHFHSA-N 2 2 370.487 4.419 20 0 FIADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168448607 1119363631 /nfs/dbraw/zinc/36/36/31/1119363631.db2.gz NYVKXUWZKDDFHO-QHCPKHFHSA-N 2 2 370.487 4.419 20 0 FIADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000178520740 1119395971 /nfs/dbraw/zinc/39/59/71/1119395971.db2.gz TWTDTUSDWGAVBL-QGZVFWFLSA-N 2 2 372.484 4.115 20 0 FIADLP Cc1ccc2c(c1)nc(C[NH2+]C1CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC1)n2C ZINC000187591457 1119790745 /nfs/dbraw/zinc/79/07/45/1119790745.db2.gz CXRRWQUDABYMIX-VQIMIIECSA-N 2 2 354.542 4.014 20 0 FIADLP Clc1cccc(Oc2ccccc2)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494428045 1119857417 /nfs/dbraw/zinc/85/74/17/1119857417.db2.gz HMHYZPDPECEYSU-HNNXBMFYSA-N 2 2 353.853 4.433 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1csc(Cl)c1 ZINC000191187524 1119964023 /nfs/dbraw/zinc/96/40/23/1119964023.db2.gz RVOXVIHUQIGALZ-CQSZACIVSA-N 2 2 350.915 4.085 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Br)c(Cl)s2)CC[N@@H+]1C ZINC000191399003 1119974790 /nfs/dbraw/zinc/97/47/90/1119974790.db2.gz QTSWVIZOIZTCDU-UWVGGRQHSA-N 2 2 351.741 4.079 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Br)c(Cl)s2)CC[N@H+]1C ZINC000191399003 1119974792 /nfs/dbraw/zinc/97/47/92/1119974792.db2.gz QTSWVIZOIZTCDU-UWVGGRQHSA-N 2 2 351.741 4.079 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Br)c(Cl)s2)CC[NH+]1C ZINC000191399003 1119974794 /nfs/dbraw/zinc/97/47/94/1119974794.db2.gz QTSWVIZOIZTCDU-UWVGGRQHSA-N 2 2 351.741 4.079 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)c(Cl)s2)CC[NH+]1C ZINC000191399003 1119974797 /nfs/dbraw/zinc/97/47/97/1119974797.db2.gz QTSWVIZOIZTCDU-UWVGGRQHSA-N 2 2 351.741 4.079 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Br)c(Cl)s2)CC[N@@H+]1C ZINC000191398957 1119975005 /nfs/dbraw/zinc/97/50/05/1119975005.db2.gz QTSWVIZOIZTCDU-NXEZZACHSA-N 2 2 351.741 4.079 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Br)c(Cl)s2)CC[N@H+]1C ZINC000191398957 1119975006 /nfs/dbraw/zinc/97/50/06/1119975006.db2.gz QTSWVIZOIZTCDU-NXEZZACHSA-N 2 2 351.741 4.079 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Br)c(Cl)s2)CC[NH+]1C ZINC000191398957 1119975007 /nfs/dbraw/zinc/97/50/07/1119975007.db2.gz QTSWVIZOIZTCDU-NXEZZACHSA-N 2 2 351.741 4.079 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Br)c(Cl)s2)CC[NH+]1C ZINC000191398957 1119975010 /nfs/dbraw/zinc/97/50/10/1119975010.db2.gz QTSWVIZOIZTCDU-NXEZZACHSA-N 2 2 351.741 4.079 20 0 FIADLP COc1cc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C2CC2)ccc1O ZINC000192135135 1120026923 /nfs/dbraw/zinc/02/69/23/1120026923.db2.gz MHKLOAKKOIVEAJ-UHFFFAOYSA-N 2 2 363.461 4.060 20 0 FIADLP COc1cc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C2CC2)ccc1O ZINC000192135135 1120026930 /nfs/dbraw/zinc/02/69/30/1120026930.db2.gz MHKLOAKKOIVEAJ-UHFFFAOYSA-N 2 2 363.461 4.060 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000192160792 1120033051 /nfs/dbraw/zinc/03/30/51/1120033051.db2.gz CJDXOXZVESSTHI-WMZHIEFXSA-N 2 2 361.489 4.438 20 0 FIADLP CC[N@H+](CCCOCc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000542508422 1120283660 /nfs/dbraw/zinc/28/36/60/1120283660.db2.gz SCMOUAZUUZFOOS-UHFFFAOYSA-N 2 2 367.537 4.227 20 0 FIADLP CC[N@@H+](CCCOCc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000542508422 1120283667 /nfs/dbraw/zinc/28/36/67/1120283667.db2.gz SCMOUAZUUZFOOS-UHFFFAOYSA-N 2 2 367.537 4.227 20 0 FIADLP Cc1ccc2c(c1)[C@@H](Nc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)[C@H](C)C2 ZINC000495025094 1120433063 /nfs/dbraw/zinc/43/30/63/1120433063.db2.gz GTSBINUNZLHRDZ-HXOBKFHXSA-N 2 2 364.537 4.266 20 0 FIADLP Brc1ccc(/C=C/CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000495052126 1120446626 /nfs/dbraw/zinc/44/66/26/1120446626.db2.gz YAVXHEZXMREADR-JHBSALDVSA-N 2 2 360.299 4.455 20 0 FIADLP Brc1ccc(/C=C/CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000495052126 1120446636 /nfs/dbraw/zinc/44/66/36/1120446636.db2.gz YAVXHEZXMREADR-JHBSALDVSA-N 2 2 360.299 4.455 20 0 FIADLP COCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C)o1 ZINC000495386638 1120765501 /nfs/dbraw/zinc/76/55/01/1120765501.db2.gz XKYNKSPWYRVPEI-WMQCIHAUSA-N 2 2 356.510 4.308 20 0 FIADLP COCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C)o1 ZINC000495386638 1120765508 /nfs/dbraw/zinc/76/55/08/1120765508.db2.gz XKYNKSPWYRVPEI-WMQCIHAUSA-N 2 2 356.510 4.308 20 0 FIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915209826 1120873847 /nfs/dbraw/zinc/87/38/47/1120873847.db2.gz UYUVVUZVARJPCN-HOTGVXAUSA-N 2 2 355.596 4.161 20 0 FIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915209826 1120873853 /nfs/dbraw/zinc/87/38/53/1120873853.db2.gz UYUVVUZVARJPCN-HOTGVXAUSA-N 2 2 355.596 4.161 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)cn1 ZINC000762476773 1120914452 /nfs/dbraw/zinc/91/44/52/1120914452.db2.gz RMONNDBOZKRVQY-LJQANCHMSA-N 2 2 352.869 4.396 20 0 FIADLP CC[NH+](CC)[C@@H](CNC1CC[NH+](C(C)C)CC1)c1ccccc1Cl ZINC000236840198 1120970523 /nfs/dbraw/zinc/97/05/23/1120970523.db2.gz UPDXYVVQIKNCMF-FQEVSTJZSA-N 2 2 351.966 4.185 20 0 FIADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OCc1cccs1 ZINC000237352978 1120976110 /nfs/dbraw/zinc/97/61/10/1120976110.db2.gz KVTBWTUKHUVPIE-MOPGFXCFSA-N 2 2 372.534 4.052 20 0 FIADLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OCc1cccs1 ZINC000237352978 1120976112 /nfs/dbraw/zinc/97/61/12/1120976112.db2.gz KVTBWTUKHUVPIE-MOPGFXCFSA-N 2 2 372.534 4.052 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc3c2OC(C)(C)C3)cc1F ZINC000237650609 1120980820 /nfs/dbraw/zinc/98/08/20/1120980820.db2.gz KMZZOEBILVQGCA-UHFFFAOYSA-N 2 2 365.452 4.323 20 0 FIADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC001168496895 1121001854 /nfs/dbraw/zinc/00/18/54/1121001854.db2.gz KCMCOSVUVWCFGQ-NFBKMPQASA-N 2 2 370.512 4.140 20 0 FIADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC001168496895 1121001859 /nfs/dbraw/zinc/00/18/59/1121001859.db2.gz KCMCOSVUVWCFGQ-NFBKMPQASA-N 2 2 370.512 4.140 20 0 FIADLP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001168498033 1121035174 /nfs/dbraw/zinc/03/51/74/1121035174.db2.gz DXKHAJCWYOFDHO-KRWDZBQOSA-N 2 2 358.476 4.492 20 0 FIADLP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001168498033 1121035185 /nfs/dbraw/zinc/03/51/85/1121035185.db2.gz DXKHAJCWYOFDHO-KRWDZBQOSA-N 2 2 358.476 4.492 20 0 FIADLP Cn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000443969153 1121035452 /nfs/dbraw/zinc/03/54/52/1121035452.db2.gz GHOPHQRGXJSTJO-ZDUSSCGKSA-N 2 2 371.282 4.115 20 0 FIADLP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001168498035 1121035706 /nfs/dbraw/zinc/03/57/06/1121035706.db2.gz DXKHAJCWYOFDHO-QGZVFWFLSA-N 2 2 358.476 4.492 20 0 FIADLP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001168498035 1121035721 /nfs/dbraw/zinc/03/57/21/1121035721.db2.gz DXKHAJCWYOFDHO-QGZVFWFLSA-N 2 2 358.476 4.492 20 0 FIADLP COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000057621001 1121375523 /nfs/dbraw/zinc/37/55/23/1121375523.db2.gz CNMJNYOTVGKEMX-OAQYLSRUSA-N 2 2 363.461 4.227 20 0 FIADLP COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000057621001 1121375535 /nfs/dbraw/zinc/37/55/35/1121375535.db2.gz CNMJNYOTVGKEMX-OAQYLSRUSA-N 2 2 363.461 4.227 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)c1ccccc1 ZINC000671716164 1121430546 /nfs/dbraw/zinc/43/05/46/1121430546.db2.gz MWIBCQRGAHRJOP-RRFGBZISSA-N 2 2 353.416 4.285 20 0 FIADLP C[C@H](CSC(C)(C)C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000153935890 1121465335 /nfs/dbraw/zinc/46/53/35/1121465335.db2.gz BTYITYLXELGJKA-MSOLQXFVSA-N 2 2 364.599 4.396 20 0 FIADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000060524064 1121480253 /nfs/dbraw/zinc/48/02/53/1121480253.db2.gz JZABUZVTHDUYDN-IBGZPJMESA-N 2 2 371.488 4.223 20 0 FIADLP COc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c2ccccc2n1 ZINC000124941557 1121733181 /nfs/dbraw/zinc/73/31/81/1121733181.db2.gz OONQABMUQZQTHI-MRXNPFEDSA-N 2 2 358.445 4.280 20 0 FIADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000916835841 1121877022 /nfs/dbraw/zinc/87/70/22/1121877022.db2.gz ATHFQJLKRVCVGB-QGZVFWFLSA-N 2 2 374.960 4.023 20 0 FIADLP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000126782365 1121990810 /nfs/dbraw/zinc/99/08/10/1121990810.db2.gz IRRYYPILVBCMLN-IAGOWNOFSA-N 2 2 374.550 4.328 20 0 FIADLP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000126782365 1121990815 /nfs/dbraw/zinc/99/08/15/1121990815.db2.gz IRRYYPILVBCMLN-IAGOWNOFSA-N 2 2 374.550 4.328 20 0 FIADLP CC(C)Cc1ccc(C(=O)C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000089425238 1122081589 /nfs/dbraw/zinc/08/15/89/1122081589.db2.gz JZGZWUYRMYXHBF-JOCHJYFZSA-N 2 2 356.554 4.264 20 0 FIADLP CC(C)Cc1ccc(C(=O)C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000089425238 1122081594 /nfs/dbraw/zinc/08/15/94/1122081594.db2.gz JZGZWUYRMYXHBF-JOCHJYFZSA-N 2 2 356.554 4.264 20 0 FIADLP COc1ccc([C@H]2C[C@H](n3c[nH+]cc3-c3cccc(C[NH3+])c3)CCO2)cc1 ZINC001168624125 1122180858 /nfs/dbraw/zinc/18/08/58/1122180858.db2.gz MLHSJIAXAXWJRW-DENIHFKCSA-N 2 2 363.461 4.110 20 0 FIADLP COc1ccc([C@H]2C[C@@H](n3c[nH+]cc3-c3ccc(C[NH3+])cc3)CCO2)cc1 ZINC001168623793 1122181130 /nfs/dbraw/zinc/18/11/30/1122181130.db2.gz KIKJCJNTSWHEOW-SIKLNZKXSA-N 2 2 363.461 4.110 20 0 FIADLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000089724746 1122246564 /nfs/dbraw/zinc/24/65/64/1122246564.db2.gz RCRMNWUIRKUUQU-DYESRHJHSA-N 2 2 360.461 4.404 20 0 FIADLP C[C@@H](c1ccc(F)cc1)[NH+](C)CC(O)C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000497752179 1122391330 /nfs/dbraw/zinc/39/13/30/1122391330.db2.gz DEWCTHAIWLYSMK-HOTGVXAUSA-N 2 2 362.464 4.012 20 0 FIADLP C[C@@H](c1ccc(F)cc1)[NH+](C)CC(O)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000497752179 1122391337 /nfs/dbraw/zinc/39/13/37/1122391337.db2.gz DEWCTHAIWLYSMK-HOTGVXAUSA-N 2 2 362.464 4.012 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129533335 1122627844 /nfs/dbraw/zinc/62/78/44/1122627844.db2.gz NWZZFRKILRLBRS-RYLXDESZSA-N 2 2 368.525 4.307 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129533335 1122627849 /nfs/dbraw/zinc/62/78/49/1122627849.db2.gz NWZZFRKILRLBRS-RYLXDESZSA-N 2 2 368.525 4.307 20 0 FIADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000130375235 1122838685 /nfs/dbraw/zinc/83/86/85/1122838685.db2.gz AKPUFAHTIKNZKS-HXUWFJFHSA-N 2 2 373.460 4.045 20 0 FIADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000130375235 1122838693 /nfs/dbraw/zinc/83/86/93/1122838693.db2.gz AKPUFAHTIKNZKS-HXUWFJFHSA-N 2 2 373.460 4.045 20 0 FIADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(F)cn1 ZINC000498768504 1123000938 /nfs/dbraw/zinc/00/09/38/1123000938.db2.gz PDMNDEFUAPYGRP-HRAATJIYSA-N 2 2 356.489 4.128 20 0 FIADLP C[NH+](C)[C@@]1(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCSC1 ZINC000556871009 1123153623 /nfs/dbraw/zinc/15/36/23/1123153623.db2.gz IFBBKGTYXVLTLB-DLBZAZTESA-N 2 2 374.472 4.063 20 0 FIADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000515077771 1123207913 /nfs/dbraw/zinc/20/79/13/1123207913.db2.gz QLMNNEMBFHSZBC-SCWSEQNSSA-N 2 2 354.542 4.433 20 0 FIADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000515077771 1123207914 /nfs/dbraw/zinc/20/79/14/1123207914.db2.gz QLMNNEMBFHSZBC-SCWSEQNSSA-N 2 2 354.542 4.433 20 0 FIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(OC(F)F)c1 ZINC000132174087 1123226492 /nfs/dbraw/zinc/22/64/92/1123226492.db2.gz FWZDDCLNDDEDKP-MRXNPFEDSA-N 2 2 371.431 4.426 20 0 FIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cnc2ccsc2c1 ZINC000132260749 1123236611 /nfs/dbraw/zinc/23/66/11/1123236611.db2.gz JAHYVVVFHZFKPX-MRXNPFEDSA-N 2 2 362.502 4.434 20 0 FIADLP C[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245593996 1124131844 /nfs/dbraw/zinc/13/18/44/1124131844.db2.gz LFQQLWNMYYBTSQ-QIJUGHKUSA-N 2 2 374.488 4.146 20 0 FIADLP C[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245593996 1124131845 /nfs/dbraw/zinc/13/18/45/1124131845.db2.gz LFQQLWNMYYBTSQ-QIJUGHKUSA-N 2 2 374.488 4.146 20 0 FIADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245677431 1124187365 /nfs/dbraw/zinc/18/73/65/1124187365.db2.gz IGNLUJIJNRJWKI-SNJCGAMXSA-N 3 2 355.570 4.036 20 0 FIADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245677431 1124187369 /nfs/dbraw/zinc/18/73/69/1124187369.db2.gz IGNLUJIJNRJWKI-SNJCGAMXSA-N 3 2 355.570 4.036 20 0 FIADLP C[C@H]1CCCC[NH+]1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245677431 1124187372 /nfs/dbraw/zinc/18/73/72/1124187372.db2.gz IGNLUJIJNRJWKI-SNJCGAMXSA-N 3 2 355.570 4.036 20 0 FIADLP C[C@H]1CCCC[NH+]1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245677431 1124187374 /nfs/dbraw/zinc/18/73/74/1124187374.db2.gz IGNLUJIJNRJWKI-SNJCGAMXSA-N 3 2 355.570 4.036 20 0 FIADLP CCCn1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000245764053 1124244161 /nfs/dbraw/zinc/24/41/61/1124244161.db2.gz QHPBZPLPDLXQFF-PGRDOPGGSA-N 2 2 368.569 4.395 20 0 FIADLP CCCn1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000245764053 1124244166 /nfs/dbraw/zinc/24/41/66/1124244166.db2.gz QHPBZPLPDLXQFF-PGRDOPGGSA-N 2 2 368.569 4.395 20 0 FIADLP CCCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000245764053 1124244170 /nfs/dbraw/zinc/24/41/70/1124244170.db2.gz QHPBZPLPDLXQFF-PGRDOPGGSA-N 2 2 368.569 4.395 20 0 FIADLP CCCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000245764053 1124244175 /nfs/dbraw/zinc/24/41/75/1124244175.db2.gz QHPBZPLPDLXQFF-PGRDOPGGSA-N 2 2 368.569 4.395 20 0 FIADLP C[C@H](OCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000246387050 1124479591 /nfs/dbraw/zinc/47/95/91/1124479591.db2.gz ANPKVALXNFADOU-SXWKCWPCSA-N 2 2 367.537 4.050 20 0 FIADLP C[C@H](OCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000246387050 1124479593 /nfs/dbraw/zinc/47/95/93/1124479593.db2.gz ANPKVALXNFADOU-SXWKCWPCSA-N 2 2 367.537 4.050 20 0 FIADLP c1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)sc1-c1ccccc1 ZINC000246563746 1124534068 /nfs/dbraw/zinc/53/40/68/1124534068.db2.gz LAXNWMHQZQUJOA-PKOBYXMFSA-N 2 2 353.535 4.259 20 0 FIADLP c1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)sc1-c1ccccc1 ZINC000246563746 1124534071 /nfs/dbraw/zinc/53/40/71/1124534071.db2.gz LAXNWMHQZQUJOA-PKOBYXMFSA-N 2 2 353.535 4.259 20 0 FIADLP c1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)sc1-c1ccccc1 ZINC000246563746 1124534074 /nfs/dbraw/zinc/53/40/74/1124534074.db2.gz LAXNWMHQZQUJOA-PKOBYXMFSA-N 2 2 353.535 4.259 20 0 FIADLP c1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)sc1-c1ccccc1 ZINC000246563746 1124534078 /nfs/dbraw/zinc/53/40/78/1124534078.db2.gz LAXNWMHQZQUJOA-PKOBYXMFSA-N 2 2 353.535 4.259 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000247213587 1124598546 /nfs/dbraw/zinc/59/85/46/1124598546.db2.gz XCYUAMDNTREWNL-YSGRDPCXSA-N 2 2 371.525 4.258 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000247213587 1124598552 /nfs/dbraw/zinc/59/85/52/1124598552.db2.gz XCYUAMDNTREWNL-YSGRDPCXSA-N 2 2 371.525 4.258 20 0 FIADLP CC(C)c1nc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cs1 ZINC000249033970 1124836737 /nfs/dbraw/zinc/83/67/37/1124836737.db2.gz SZLLWKLNWFMRTQ-IAGOWNOFSA-N 2 2 373.566 4.338 20 0 FIADLP CC(C)c1nc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cs1 ZINC000249033970 1124836742 /nfs/dbraw/zinc/83/67/42/1124836742.db2.gz SZLLWKLNWFMRTQ-IAGOWNOFSA-N 2 2 373.566 4.338 20 0 FIADLP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000249153582 1124848494 /nfs/dbraw/zinc/84/84/94/1124848494.db2.gz VQVKAEKXGQFYID-ZJSXRUAMSA-N 2 2 357.501 4.283 20 0 FIADLP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000249153582 1124848510 /nfs/dbraw/zinc/84/85/10/1124848510.db2.gz VQVKAEKXGQFYID-ZJSXRUAMSA-N 2 2 357.501 4.283 20 0 FIADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)n2)cc1F ZINC000156548148 1124925917 /nfs/dbraw/zinc/92/59/17/1124925917.db2.gz JUUOIPUNNAHKHV-RLFYNMQTSA-N 2 2 369.444 4.025 20 0 FIADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)n2)cc1F ZINC000156548148 1124925923 /nfs/dbraw/zinc/92/59/23/1124925923.db2.gz JUUOIPUNNAHKHV-RLFYNMQTSA-N 2 2 369.444 4.025 20 0 FIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1nc2ccc(Cl)cc2n1C ZINC000091318751 1125065365 /nfs/dbraw/zinc/06/53/65/1125065365.db2.gz FIMRDYGLTZPQRF-CQSZACIVSA-N 2 2 357.889 4.165 20 0 FIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nc2ccccc2n1C ZINC000091336643 1125065964 /nfs/dbraw/zinc/06/59/64/1125065964.db2.gz MAJSZTXDORMIMN-LBFURVHYSA-N 2 2 374.532 4.420 20 0 FIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nc2ccccc2n1C ZINC000091336643 1125065975 /nfs/dbraw/zinc/06/59/75/1125065975.db2.gz MAJSZTXDORMIMN-LBFURVHYSA-N 2 2 374.532 4.420 20 0 FIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000091341413 1125067276 /nfs/dbraw/zinc/06/72/76/1125067276.db2.gz ZXRILWFUEKRGQS-ZWKOTPCHSA-N 2 2 362.521 4.450 20 0 FIADLP Cc1cc2c(cc1C)[C@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CCS2 ZINC000187021030 568001443 /nfs/dbraw/zinc/00/14/43/568001443.db2.gz RLSDDKYZRLHVTP-OAQYLSRUSA-N 2 2 367.562 4.490 20 0 FIADLP Cc1cccc2c1cc[nH+]c2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164862505 720964157 /nfs/dbraw/zinc/96/41/57/720964157.db2.gz VXOFBJIKEJBOGR-KRWDZBQOSA-N 2 2 363.509 4.161 20 0 FIADLP Cc1cccc2c1cc[nH+]c2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164862505 720964166 /nfs/dbraw/zinc/96/41/66/720964166.db2.gz VXOFBJIKEJBOGR-KRWDZBQOSA-N 2 2 363.509 4.161 20 0 FIADLP Cc1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(C2CC2)[nH+]1 ZINC001164993825 722209846 /nfs/dbraw/zinc/20/98/46/722209846.db2.gz CEJQOFXNNUTGJA-JOCHJYFZSA-N 2 2 366.484 4.046 20 0 FIADLP Cc1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(C2CC2)[nH+]1 ZINC001164993825 722209848 /nfs/dbraw/zinc/20/98/48/722209848.db2.gz CEJQOFXNNUTGJA-JOCHJYFZSA-N 2 2 366.484 4.046 20 0 FIADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OCc1ccccc1 ZINC000093643628 1125471034 /nfs/dbraw/zinc/47/10/34/1125471034.db2.gz AYWRQSGEYFOWCJ-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OCc1ccccc1 ZINC000093643628 1125471041 /nfs/dbraw/zinc/47/10/41/1125471041.db2.gz AYWRQSGEYFOWCJ-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCc1ccccc1 ZINC000093643628 1125471045 /nfs/dbraw/zinc/47/10/45/1125471045.db2.gz AYWRQSGEYFOWCJ-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCc1ccccc1 ZINC000093643628 1125471049 /nfs/dbraw/zinc/47/10/49/1125471049.db2.gz AYWRQSGEYFOWCJ-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP Brc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000543060842 1125579071 /nfs/dbraw/zinc/57/90/71/1125579071.db2.gz QDFXKYSYSCFBHU-UHFFFAOYSA-N 2 2 362.315 4.338 20 0 FIADLP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCCOc4ccccc43)CC2)cc1 ZINC000153251266 1125764850 /nfs/dbraw/zinc/76/48/50/1125764850.db2.gz XGGMWVJLRZYQJC-JOCHJYFZSA-N 2 2 350.506 4.197 20 0 FIADLP FC(F)(F)c1cccc(OCCCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000471178996 1080124134 /nfs/dbraw/zinc/12/41/34/1080124134.db2.gz YVGSNBYQNCNQTC-HNNXBMFYSA-N 2 2 367.415 4.467 20 0 FIADLP FC(F)(F)c1cccc(OCCCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000471178996 1080124138 /nfs/dbraw/zinc/12/41/38/1080124138.db2.gz YVGSNBYQNCNQTC-HNNXBMFYSA-N 2 2 367.415 4.467 20 0 FIADLP Fc1cccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2cccc(Br)c2)c1 ZINC000179992275 1080403240 /nfs/dbraw/zinc/40/32/40/1080403240.db2.gz BHZKBTOAYSXOBY-SFHVURJKSA-N 2 2 374.257 4.164 20 0 FIADLP Brc1ccccc1[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000179992081 1080403333 /nfs/dbraw/zinc/40/33/33/1080403333.db2.gz AWKUTUPOXMPOAD-SFHVURJKSA-N 2 2 356.267 4.025 20 0 FIADLP Fc1ccccc1[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000179991337 1080403349 /nfs/dbraw/zinc/40/33/49/1080403349.db2.gz WTPITNHIRPRWAY-GOSISDBHSA-N 2 2 374.257 4.164 20 0 FIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000236864554 1080908313 /nfs/dbraw/zinc/90/83/13/1080908313.db2.gz XUNNOYSUGCIPMB-KSSFIOAISA-N 2 2 359.341 4.220 20 0 FIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000236864554 1080908315 /nfs/dbraw/zinc/90/83/15/1080908315.db2.gz XUNNOYSUGCIPMB-KSSFIOAISA-N 2 2 359.341 4.220 20 0 FIADLP CCc1nc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC001648808311 1081112151 /nfs/dbraw/zinc/11/21/51/1081112151.db2.gz JVKMTBBFIISCQS-IRXDYDNUSA-N 2 2 357.567 4.473 20 0 FIADLP Cc1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)c(C)c1 ZINC000655703821 1081125134 /nfs/dbraw/zinc/12/51/34/1081125134.db2.gz LURRSRRLPPAJLY-VWNXMTODSA-N 2 2 364.533 4.236 20 0 FIADLP CC(C)CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655705051 1081126560 /nfs/dbraw/zinc/12/65/60/1081126560.db2.gz UXEJCMAPHOZBPJ-NQIIRXRSSA-N 2 2 360.542 4.015 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000655704980 1081126858 /nfs/dbraw/zinc/12/68/58/1081126858.db2.gz SHKUDEZDSHSECP-GHTZIAJQSA-N 2 2 366.505 4.383 20 0 FIADLP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655711513 1081129142 /nfs/dbraw/zinc/12/91/42/1081129142.db2.gz KTSNPGSCLLGDKO-SJLPKXTDSA-N 2 2 371.352 4.157 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1Cl ZINC000655761015 1081180012 /nfs/dbraw/zinc/18/00/12/1081180012.db2.gz DJYRODJVKXMNAB-BBRMVZONSA-N 2 2 357.325 4.287 20 0 FIADLP Brc1csc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000078887998 1081202970 /nfs/dbraw/zinc/20/29/70/1081202970.db2.gz BNBNFVUGQADWCU-UHFFFAOYSA-N 2 2 362.296 4.045 20 0 FIADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001648879320 1081340481 /nfs/dbraw/zinc/34/04/81/1081340481.db2.gz XYRMCRPGTLDZOK-HNNXBMFYSA-N 2 2 368.506 4.208 20 0 FIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Br)c(F)c1F ZINC001648886874 1081348020 /nfs/dbraw/zinc/34/80/20/1081348020.db2.gz QIIPUQCZFUYVAY-ZDUSSCGKSA-N 2 2 372.257 4.128 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)c1ccccc1 ZINC000683818453 1081623019 /nfs/dbraw/zinc/62/30/19/1081623019.db2.gz INTASCVCKRRETC-LZBANZJXSA-N 2 2 361.489 4.041 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)cs2)C[C@H]1c1ccccc1 ZINC000580174939 1081732882 /nfs/dbraw/zinc/73/28/82/1081732882.db2.gz WYSXDTOWVFCAGJ-RDJZCZTQSA-N 2 2 365.340 4.436 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)cs2)C[C@H]1c1ccccc1 ZINC000580174939 1081732884 /nfs/dbraw/zinc/73/28/84/1081732884.db2.gz WYSXDTOWVFCAGJ-RDJZCZTQSA-N 2 2 365.340 4.436 20 0 FIADLP Cc1ccc(-c2ncc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)s2)cc1C ZINC000656262239 1082051127 /nfs/dbraw/zinc/05/11/27/1082051127.db2.gz RLPHQECSFDKBLB-DFNIBXOVSA-N 2 2 355.551 4.484 20 0 FIADLP Cc1ccc(-c2ncc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)s2)cc1C ZINC000656262239 1082051135 /nfs/dbraw/zinc/05/11/35/1082051135.db2.gz RLPHQECSFDKBLB-DFNIBXOVSA-N 2 2 355.551 4.484 20 0 FIADLP Cc1ccc(-c2ncc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)s2)cc1C ZINC000656262239 1082051143 /nfs/dbraw/zinc/05/11/43/1082051143.db2.gz RLPHQECSFDKBLB-DFNIBXOVSA-N 2 2 355.551 4.484 20 0 FIADLP Cc1ccc(-c2ncc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)s2)cc1C ZINC000656262239 1082051150 /nfs/dbraw/zinc/05/11/50/1082051150.db2.gz RLPHQECSFDKBLB-DFNIBXOVSA-N 2 2 355.551 4.484 20 0 FIADLP Cc1[nH+]cc(CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)n1-c1ccccc1 ZINC000510390273 1082475155 /nfs/dbraw/zinc/47/51/55/1082475155.db2.gz BUKYKQKXIQFHOG-WFXMLNOXSA-N 2 2 352.526 4.018 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000581877079 1082948763 /nfs/dbraw/zinc/94/87/63/1082948763.db2.gz LVVSWKVTLOATOQ-XOKHGSTOSA-N 2 2 361.942 4.284 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000581877079 1082948766 /nfs/dbraw/zinc/94/87/66/1082948766.db2.gz LVVSWKVTLOATOQ-XOKHGSTOSA-N 2 2 361.942 4.284 20 0 FIADLP CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(OCCC)c1 ZINC000510533171 1083143632 /nfs/dbraw/zinc/14/36/32/1083143632.db2.gz JIVAMAGUHCIUKV-GOSISDBHSA-N 2 2 357.498 4.367 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2cc(OC)ccc2c1 ZINC000658292153 1083396058 /nfs/dbraw/zinc/39/60/58/1083396058.db2.gz OERLWKFXSDNLIT-JTHBVZDNSA-N 2 2 368.521 4.142 20 0 FIADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658296158 1083397282 /nfs/dbraw/zinc/39/72/82/1083397282.db2.gz QYDUZQDKQMKWSG-IEBWSBKVSA-N 2 2 369.553 4.067 20 0 FIADLP CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000510960188 1083538908 /nfs/dbraw/zinc/53/89/08/1083538908.db2.gz QNLJBAALVOQLQO-WIYYLYMNSA-N 2 2 354.542 4.415 20 0 FIADLP CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000510960188 1083538921 /nfs/dbraw/zinc/53/89/21/1083538921.db2.gz QNLJBAALVOQLQO-WIYYLYMNSA-N 2 2 354.542 4.415 20 0 FIADLP Cc1[nH]c(CNc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)[nH+]c1C ZINC000628238901 1083611097 /nfs/dbraw/zinc/61/10/97/1083611097.db2.gz SZBRANJUNIYACC-OAQYLSRUSA-N 2 2 370.541 4.418 20 0 FIADLP Cc1[nH]c(CNc2ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc2)[nH+]c1C ZINC000628238901 1083611102 /nfs/dbraw/zinc/61/11/02/1083611102.db2.gz SZBRANJUNIYACC-OAQYLSRUSA-N 2 2 370.541 4.418 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000535809989 1083681662 /nfs/dbraw/zinc/68/16/62/1083681662.db2.gz SZCAJKHIKMOART-UZLBHIALSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000535809989 1083681668 /nfs/dbraw/zinc/68/16/68/1083681668.db2.gz SZCAJKHIKMOART-UZLBHIALSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000535809989 1083681669 /nfs/dbraw/zinc/68/16/69/1083681669.db2.gz SZCAJKHIKMOART-UZLBHIALSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000535809989 1083681674 /nfs/dbraw/zinc/68/16/74/1083681674.db2.gz SZCAJKHIKMOART-UZLBHIALSA-N 2 2 370.928 4.179 20 0 FIADLP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000535837421 1083793514 /nfs/dbraw/zinc/79/35/14/1083793514.db2.gz DYUUPJSSFHRIEJ-QFIPXVFZSA-N 2 2 366.553 4.019 20 0 FIADLP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000535837421 1083793525 /nfs/dbraw/zinc/79/35/25/1083793525.db2.gz DYUUPJSSFHRIEJ-QFIPXVFZSA-N 2 2 366.553 4.019 20 0 FIADLP Brc1ccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000236600813 1083812794 /nfs/dbraw/zinc/81/27/94/1083812794.db2.gz NGZLICDCOIFKEG-UHFFFAOYSA-N 2 2 368.278 4.414 20 0 FIADLP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001167504291 1084140216 /nfs/dbraw/zinc/14/02/16/1084140216.db2.gz JLYPVFBJNWAARU-JPYJTQIMSA-N 2 2 368.496 4.241 20 0 FIADLP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001167504291 1084140219 /nfs/dbraw/zinc/14/02/19/1084140219.db2.gz JLYPVFBJNWAARU-JPYJTQIMSA-N 2 2 368.496 4.241 20 0 FIADLP Brc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000380918081 1084292745 /nfs/dbraw/zinc/29/27/45/1084292745.db2.gz VFXUYZIIHFGPIV-GOSISDBHSA-N 2 2 373.338 4.451 20 0 FIADLP Brc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380918081 1084292757 /nfs/dbraw/zinc/29/27/57/1084292757.db2.gz VFXUYZIIHFGPIV-GOSISDBHSA-N 2 2 373.338 4.451 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892120211 1084350575 /nfs/dbraw/zinc/35/05/75/1084350575.db2.gz LTHHULFHUMVHHO-HNNXBMFYSA-N 2 2 367.559 4.259 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892120211 1084350587 /nfs/dbraw/zinc/35/05/87/1084350587.db2.gz LTHHULFHUMVHHO-HNNXBMFYSA-N 2 2 367.559 4.259 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc2n(n1)CCC2 ZINC000414065915 1084420755 /nfs/dbraw/zinc/42/07/55/1084420755.db2.gz HNLKTYYVVTZAMQ-QRVBRYPASA-N 2 2 366.553 4.158 20 0 FIADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1(C)C ZINC000414070177 1084425328 /nfs/dbraw/zinc/42/53/28/1084425328.db2.gz SEWQDNGZDCSHOZ-OALUTQOASA-N 2 2 355.526 4.046 20 0 FIADLP CC(C)n1ccnc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000657312269 1084441312 /nfs/dbraw/zinc/44/13/12/1084441312.db2.gz DVXYVTVATNJWIH-RTBURBONSA-N 2 2 354.542 4.232 20 0 FIADLP COC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(Cl)c1 ZINC000582092241 1084602450 /nfs/dbraw/zinc/60/24/50/1084602450.db2.gz HMBJHZUCJHOEGM-HXUWFJFHSA-N 2 2 369.896 4.105 20 0 FIADLP CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CO1 ZINC000657351861 1084690961 /nfs/dbraw/zinc/69/09/61/1084690961.db2.gz HBEMNTOJSGUYJS-FCHUYYIVSA-N 2 2 361.489 4.256 20 0 FIADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000582268091 1084817069 /nfs/dbraw/zinc/81/70/69/1084817069.db2.gz YMETZCCVNHSLQQ-QAPCUYQASA-N 2 2 351.332 4.460 20 0 FIADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000582268091 1084817072 /nfs/dbraw/zinc/81/70/72/1084817072.db2.gz YMETZCCVNHSLQQ-QAPCUYQASA-N 2 2 351.332 4.460 20 0 FIADLP CC(C)c1nnc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000892574496 1084890493 /nfs/dbraw/zinc/89/04/93/1084890493.db2.gz KUCSAFLBOSAHQT-INIZCTEOSA-N 2 2 358.555 4.183 20 0 FIADLP CC(C)c1nnc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000892574496 1084890510 /nfs/dbraw/zinc/89/05/10/1084890510.db2.gz KUCSAFLBOSAHQT-INIZCTEOSA-N 2 2 358.555 4.183 20 0 FIADLP CC(C)c1nnc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000892574497 1084891216 /nfs/dbraw/zinc/89/12/16/1084891216.db2.gz KUCSAFLBOSAHQT-MRXNPFEDSA-N 2 2 358.555 4.183 20 0 FIADLP CC(C)c1nnc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000892574497 1084891224 /nfs/dbraw/zinc/89/12/24/1084891224.db2.gz KUCSAFLBOSAHQT-MRXNPFEDSA-N 2 2 358.555 4.183 20 0 FIADLP Cc1ccc2cc(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)[nH]c2c1 ZINC000657401626 1084912032 /nfs/dbraw/zinc/91/20/32/1084912032.db2.gz DTFPQDXYDHUKJW-UHFFFAOYSA-N 2 2 363.509 4.014 20 0 FIADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3nnc(C4CC4)s3)cc2)C1 ZINC000892598392 1084975689 /nfs/dbraw/zinc/97/56/89/1084975689.db2.gz AYIJOPSKTQYWEO-HOTGVXAUSA-N 2 2 370.566 4.183 20 0 FIADLP CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000158903886 1085056742 /nfs/dbraw/zinc/05/67/42/1085056742.db2.gz NUZRYSGHYZIBHC-KRWDZBQOSA-N 2 2 362.477 4.462 20 0 FIADLP COCC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccco1 ZINC000582486969 1085063621 /nfs/dbraw/zinc/06/36/21/1085063621.db2.gz UOVFVNVFTKNFAY-WOJBJXKFSA-N 2 2 354.494 4.144 20 0 FIADLP COCC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccco1 ZINC000582486969 1085063627 /nfs/dbraw/zinc/06/36/27/1085063627.db2.gz UOVFVNVFTKNFAY-WOJBJXKFSA-N 2 2 354.494 4.144 20 0 FIADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1nc2ccccc2n1C(F)F ZINC000116396207 1085359578 /nfs/dbraw/zinc/35/95/78/1085359578.db2.gz TXDXIZJXKDFCRR-XJKSGUPXSA-N 2 2 352.473 4.448 20 0 FIADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651730234 1085424972 /nfs/dbraw/zinc/42/49/72/1085424972.db2.gz DNBYHIZJBAYBPA-LJQANCHMSA-N 2 2 367.537 4.289 20 0 FIADLP CCCC[N@H+](C)CC1CC[NH+](Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000076730444 1085587558 /nfs/dbraw/zinc/58/75/58/1085587558.db2.gz NJUOAZGLSJIPJR-MRXNPFEDSA-N 2 2 353.576 4.185 20 0 FIADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000076730444 1085587563 /nfs/dbraw/zinc/58/75/63/1085587563.db2.gz NJUOAZGLSJIPJR-MRXNPFEDSA-N 2 2 353.576 4.185 20 0 FIADLP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccccc1Cl ZINC000582927146 1085929561 /nfs/dbraw/zinc/92/95/61/1085929561.db2.gz STEYOLCBUXAFST-XNFNUYLZSA-N 2 2 351.966 4.041 20 0 FIADLP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1Cl ZINC000582927146 1085929567 /nfs/dbraw/zinc/92/95/67/1085929567.db2.gz STEYOLCBUXAFST-XNFNUYLZSA-N 2 2 351.966 4.041 20 0 FIADLP C[C@H]([NH2+]Cc1cscc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511913432 1085958274 /nfs/dbraw/zinc/95/82/74/1085958274.db2.gz ZQUGDWRAKPJNCE-STQMWFEESA-N 2 2 357.361 4.253 20 0 FIADLP C[C@H]([NH2+]Cc1cscc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511913432 1085958276 /nfs/dbraw/zinc/95/82/76/1085958276.db2.gz ZQUGDWRAKPJNCE-STQMWFEESA-N 2 2 357.361 4.253 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000582964113 1085970251 /nfs/dbraw/zinc/97/02/51/1085970251.db2.gz GQCSNJQEINNTAY-YADHBBJMSA-N 2 2 350.506 4.161 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000582964113 1085970253 /nfs/dbraw/zinc/97/02/53/1085970253.db2.gz GQCSNJQEINNTAY-YADHBBJMSA-N 2 2 350.506 4.161 20 0 FIADLP Fc1ccc(COC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000091889170 1086259574 /nfs/dbraw/zinc/25/95/74/1086259574.db2.gz PWCJBIKRLPHQSV-UHFFFAOYSA-N 2 2 365.452 4.193 20 0 FIADLP Cc1ccc(-c2nc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cs2)cc1 ZINC000663345527 1086446597 /nfs/dbraw/zinc/44/65/97/1086446597.db2.gz KJAAZBAITNFWIR-GOSISDBHSA-N 2 2 355.551 4.330 20 0 FIADLP Cc1ccc(-c2nc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cs2)cc1 ZINC000663345527 1086446602 /nfs/dbraw/zinc/44/66/02/1086446602.db2.gz KJAAZBAITNFWIR-GOSISDBHSA-N 2 2 355.551 4.330 20 0 FIADLP Cc1cc([C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c2cccnc2)ccc1F ZINC000663465799 1086565976 /nfs/dbraw/zinc/56/59/76/1086565976.db2.gz LOUVNPMTTPXAPF-AUSIDOKSSA-N 2 2 367.512 4.330 20 0 FIADLP Cc1cc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c2cccnc2)ccc1F ZINC000663465799 1086565982 /nfs/dbraw/zinc/56/59/82/1086565982.db2.gz LOUVNPMTTPXAPF-AUSIDOKSSA-N 2 2 367.512 4.330 20 0 FIADLP c1cn(-c2ccccc2-c2noc([C@H]3CC[C@@H](c4ccccc4)C[NH2+]3)n2)c[nH+]1 ZINC001211577025 1086613269 /nfs/dbraw/zinc/61/32/69/1086613269.db2.gz MKKKEBZKVSZPGX-IEBWSBKVSA-N 2 2 371.444 4.131 20 0 FIADLP COc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)ccc1SC ZINC000126443799 1086622586 /nfs/dbraw/zinc/62/25/86/1086622586.db2.gz MURPBUCWNWPJJN-AWEZNQCLSA-N 2 2 368.506 4.157 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)s1 ZINC000512028927 1086665077 /nfs/dbraw/zinc/66/50/77/1086665077.db2.gz ZBPMSXHQBBLXRE-AWEZNQCLSA-N 2 2 356.322 4.289 20 0 FIADLP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1cc2n(n1)CCCC2 ZINC000647291651 1086674189 /nfs/dbraw/zinc/67/41/89/1086674189.db2.gz VIADKHJWWMSNMI-FHWLQOOXSA-N 2 2 366.553 4.027 20 0 FIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427843740 1086963385 /nfs/dbraw/zinc/96/33/85/1086963385.db2.gz MYFRWTHNVPDMIX-PBHICJAKSA-N 2 2 352.507 4.289 20 0 FIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000151159289 1086974949 /nfs/dbraw/zinc/97/49/49/1086974949.db2.gz PVOXMGRLJJXTRB-QGZVFWFLSA-N 2 2 353.441 4.342 20 0 FIADLP COc1cc(C)c([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1OC ZINC000151310898 1087084685 /nfs/dbraw/zinc/08/46/85/1087084685.db2.gz SESDUPHJOOMNRG-KRWDZBQOSA-N 2 2 365.477 4.108 20 0 FIADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CCS2 ZINC000151303472 1087085996 /nfs/dbraw/zinc/08/59/96/1087085996.db2.gz OJOOXPWVLXJBPN-LJQANCHMSA-N 2 2 353.466 4.397 20 0 FIADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961171 1087289747 /nfs/dbraw/zinc/28/97/47/1087289747.db2.gz RXBFLGLBPBNDIN-FPOVZHCZSA-N 2 2 374.488 4.278 20 0 FIADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961171 1087289753 /nfs/dbraw/zinc/28/97/53/1087289753.db2.gz RXBFLGLBPBNDIN-FPOVZHCZSA-N 2 2 374.488 4.278 20 0 FIADLP Brc1ccc2[nH+]ccc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000091480031 1087430014 /nfs/dbraw/zinc/43/00/14/1087430014.db2.gz LSNFUZFPXAMKJY-LBPRGKRZSA-N 2 2 357.255 4.104 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(Cl)c1 ZINC000424261047 1087882805 /nfs/dbraw/zinc/88/28/05/1087882805.db2.gz OSSAYGWXHXJZNJ-MRXNPFEDSA-N 2 2 374.912 4.032 20 0 FIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCc4cc(F)ccc43)CC2)cc1 ZINC000163507975 1088129032 /nfs/dbraw/zinc/12/90/32/1088129032.db2.gz SYWQBJXOJSADBV-JOCHJYFZSA-N 2 2 353.485 4.138 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H](c3cccnc3)C3CCC3)C2)CC1 ZINC000376674101 1088819815 /nfs/dbraw/zinc/81/98/15/1088819815.db2.gz TZIKQYPCEARKFI-CTWPCTMYSA-N 2 2 367.459 4.318 20 0 FIADLP Cc1cc2[nH]c(C[NH+]3CC[C@H](C[N@@H+](C)Cc4cccnc4)C3)cc2c(C)c1 ZINC000434637881 1088909463 /nfs/dbraw/zinc/90/94/63/1088909463.db2.gz PNGXJJKZCSWTLI-HXUWFJFHSA-N 2 2 362.521 4.134 20 0 FIADLP Cc1cc2[nH]c(C[NH+]3CC[C@H](C[N@H+](C)Cc4cccnc4)C3)cc2c(C)c1 ZINC000434637881 1088909464 /nfs/dbraw/zinc/90/94/64/1088909464.db2.gz PNGXJJKZCSWTLI-HXUWFJFHSA-N 2 2 362.521 4.134 20 0 FIADLP Cc1cc2[nH]c(C[N@H+]3CC[C@H](C[NH+](C)Cc4cccnc4)C3)cc2c(C)c1 ZINC000434637881 1088909467 /nfs/dbraw/zinc/90/94/67/1088909467.db2.gz PNGXJJKZCSWTLI-HXUWFJFHSA-N 2 2 362.521 4.134 20 0 FIADLP Cc1cc2[nH]c(C[N@@H+]3CC[C@H](C[NH+](C)Cc4cccnc4)C3)cc2c(C)c1 ZINC000434637881 1088909471 /nfs/dbraw/zinc/90/94/71/1088909471.db2.gz PNGXJJKZCSWTLI-HXUWFJFHSA-N 2 2 362.521 4.134 20 0 FIADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(C(F)(F)F)c1 ZINC001143485526 1088966951 /nfs/dbraw/zinc/96/69/51/1088966951.db2.gz BBSRUALLGLWHFE-MRXNPFEDSA-N 2 2 366.383 4.071 20 0 FIADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(C(F)(F)F)c1 ZINC001143485526 1088966960 /nfs/dbraw/zinc/96/69/60/1088966960.db2.gz BBSRUALLGLWHFE-MRXNPFEDSA-N 2 2 366.383 4.071 20 0 FIADLP Fc1cc(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415087513 1089146474 /nfs/dbraw/zinc/14/64/74/1089146474.db2.gz UUXFAPIDXYZTJA-MSOLQXFVSA-N 2 2 363.274 4.171 20 0 FIADLP CCOc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1F ZINC000435061664 1089251836 /nfs/dbraw/zinc/25/18/36/1089251836.db2.gz RPKUGSWHNZFCSM-UHFFFAOYSA-N 2 2 357.473 4.137 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235993 1089315078 /nfs/dbraw/zinc/31/50/78/1089315078.db2.gz TYVMBANGISUOPS-DLTYFMDKSA-N 2 2 364.533 4.059 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235993 1089315092 /nfs/dbraw/zinc/31/50/92/1089315092.db2.gz TYVMBANGISUOPS-DLTYFMDKSA-N 2 2 364.533 4.059 20 0 FIADLP CC(C)(C)[NH+]1CCC(Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000378475813 1090381407 /nfs/dbraw/zinc/38/14/07/1090381407.db2.gz QFAXZONSSOACTD-UHFFFAOYSA-N 2 2 350.510 4.277 20 0 FIADLP CC[N@H+](Cc1nc(C)oc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079933 1090490000 /nfs/dbraw/zinc/49/00/00/1090490000.db2.gz UWAJMXZWTVQZSP-UHFFFAOYSA-N 2 2 371.529 4.004 20 0 FIADLP CC[N@@H+](Cc1nc(C)oc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079933 1090490010 /nfs/dbraw/zinc/49/00/10/1090490010.db2.gz UWAJMXZWTVQZSP-UHFFFAOYSA-N 2 2 371.529 4.004 20 0 FIADLP Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)cc1C ZINC000363936186 1090506887 /nfs/dbraw/zinc/50/68/87/1090506887.db2.gz DZEYWUWRYTXNGN-NVXWUHKLSA-N 2 2 351.454 4.017 20 0 FIADLP Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)cc1C ZINC000363936186 1090506892 /nfs/dbraw/zinc/50/68/92/1090506892.db2.gz DZEYWUWRYTXNGN-NVXWUHKLSA-N 2 2 351.454 4.017 20 0 FIADLP C[N@H+](CCC[NH2+]Cc1c(F)cccc1N1CCCC1)Cc1ccccc1 ZINC000511603931 1090675460 /nfs/dbraw/zinc/67/54/60/1090675460.db2.gz CRWXUMKTEYUVND-UHFFFAOYSA-N 2 2 355.501 4.038 20 0 FIADLP C[N@@H+](CCC[NH2+]Cc1c(F)cccc1N1CCCC1)Cc1ccccc1 ZINC000511603931 1090675464 /nfs/dbraw/zinc/67/54/64/1090675464.db2.gz CRWXUMKTEYUVND-UHFFFAOYSA-N 2 2 355.501 4.038 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417309602 1090802983 /nfs/dbraw/zinc/80/29/83/1090802983.db2.gz JQJZOAZKAWWJCC-CPLUKWAASA-N 2 2 355.551 4.450 20 0 FIADLP C[C@@H]([NH2+]Cc1nsc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000660218974 1090897361 /nfs/dbraw/zinc/89/73/61/1090897361.db2.gz BAHPCEUJFVHLMB-SJLPKXTDSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@@H]([NH2+]Cc1nsc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000660218974 1090897365 /nfs/dbraw/zinc/89/73/65/1090897365.db2.gz BAHPCEUJFVHLMB-SJLPKXTDSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@H]([NH2+]Cc1nsc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000660218973 1090897529 /nfs/dbraw/zinc/89/75/29/1090897529.db2.gz BAHPCEUJFVHLMB-FUHWJXTLSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@H]([NH2+]Cc1nsc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000660218973 1090897536 /nfs/dbraw/zinc/89/75/36/1090897536.db2.gz BAHPCEUJFVHLMB-FUHWJXTLSA-N 2 2 351.519 4.297 20 0 FIADLP c1nc(-c2ccccn2)sc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093016898 1090900154 /nfs/dbraw/zinc/90/01/54/1090900154.db2.gz ZEJPTJDAEKMUIV-SFHVURJKSA-N 2 2 370.566 4.293 20 0 FIADLP c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093016898 1090900157 /nfs/dbraw/zinc/90/01/57/1090900157.db2.gz ZEJPTJDAEKMUIV-SFHVURJKSA-N 2 2 370.566 4.293 20 0 FIADLP c1nc(-c2ccccn2)sc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093016896 1090900241 /nfs/dbraw/zinc/90/02/41/1090900241.db2.gz ZEJPTJDAEKMUIV-GOSISDBHSA-N 2 2 370.566 4.293 20 0 FIADLP c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093016896 1090900243 /nfs/dbraw/zinc/90/02/43/1090900243.db2.gz ZEJPTJDAEKMUIV-GOSISDBHSA-N 2 2 370.566 4.293 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nsc2ccccc21 ZINC000660306716 1090989236 /nfs/dbraw/zinc/98/92/36/1090989236.db2.gz UIIBWYZSJZKPOZ-APWZRJJASA-N 2 2 351.519 4.297 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nsc2ccccc21 ZINC000660306716 1090989238 /nfs/dbraw/zinc/98/92/38/1090989238.db2.gz UIIBWYZSJZKPOZ-APWZRJJASA-N 2 2 351.519 4.297 20 0 FIADLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390570448 1091270968 /nfs/dbraw/zinc/27/09/68/1091270968.db2.gz BJDDEEXVKRUJKJ-WMZHIEFXSA-N 2 2 368.521 4.027 20 0 FIADLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390570448 1091270975 /nfs/dbraw/zinc/27/09/75/1091270975.db2.gz BJDDEEXVKRUJKJ-WMZHIEFXSA-N 2 2 368.521 4.027 20 0 FIADLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390570444 1091271353 /nfs/dbraw/zinc/27/13/53/1091271353.db2.gz BJDDEEXVKRUJKJ-AUSIDOKSSA-N 2 2 368.521 4.027 20 0 FIADLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390570444 1091271359 /nfs/dbraw/zinc/27/13/59/1091271359.db2.gz BJDDEEXVKRUJKJ-AUSIDOKSSA-N 2 2 368.521 4.027 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000390581139 1091288243 /nfs/dbraw/zinc/28/82/43/1091288243.db2.gz ICOWCFHTKRHJIX-YLJYHZDGSA-N 2 2 354.494 4.019 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1OC ZINC000390581139 1091288253 /nfs/dbraw/zinc/28/82/53/1091288253.db2.gz ICOWCFHTKRHJIX-YLJYHZDGSA-N 2 2 354.494 4.019 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759860354 1091344196 /nfs/dbraw/zinc/34/41/96/1091344196.db2.gz BULPIZVIKFFLMX-GUXCAODWSA-N 2 2 368.924 4.099 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759860354 1091344207 /nfs/dbraw/zinc/34/42/07/1091344207.db2.gz BULPIZVIKFFLMX-GUXCAODWSA-N 2 2 368.924 4.099 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759860354 1091344216 /nfs/dbraw/zinc/34/42/16/1091344216.db2.gz BULPIZVIKFFLMX-GUXCAODWSA-N 2 2 368.924 4.099 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759860354 1091344235 /nfs/dbraw/zinc/34/42/35/1091344235.db2.gz BULPIZVIKFFLMX-GUXCAODWSA-N 2 2 368.924 4.099 20 0 FIADLP O[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc(Cl)c(F)c1 ZINC000759861210 1091348364 /nfs/dbraw/zinc/34/83/64/1091348364.db2.gz GGWOVKDVWXONDC-UZLBHIALSA-N 2 2 368.924 4.101 20 0 FIADLP O[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc(Cl)c(F)c1 ZINC000759861210 1091348374 /nfs/dbraw/zinc/34/83/74/1091348374.db2.gz GGWOVKDVWXONDC-UZLBHIALSA-N 2 2 368.924 4.101 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cnc(-c4ccncc4)s3)C2)CC1 ZINC000512191884 1091819893 /nfs/dbraw/zinc/81/98/93/1091819893.db2.gz BFALBSAPTKQNKK-GOSISDBHSA-N 2 2 370.566 4.149 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cnc(-c4ccncc4)s3)C2)CC1 ZINC000512191884 1091819897 /nfs/dbraw/zinc/81/98/97/1091819897.db2.gz BFALBSAPTKQNKK-GOSISDBHSA-N 2 2 370.566 4.149 20 0 FIADLP CC[NH+]1CCC([NH2+][C@H](c2ccc(OC)cc2Br)C(C)C)CC1 ZINC000520899301 1092355068 /nfs/dbraw/zinc/35/50/68/1092355068.db2.gz VBLFEMHPNRGESI-SFHVURJKSA-N 2 2 369.347 4.229 20 0 FIADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000520965587 1092391015 /nfs/dbraw/zinc/39/10/15/1092391015.db2.gz KCRFPIHPDBUXOB-ZDUSSCGKSA-N 2 2 351.288 4.139 20 0 FIADLP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000236633811 1092404539 /nfs/dbraw/zinc/40/45/39/1092404539.db2.gz HZVZFXDRZGNTBE-MRXNPFEDSA-N 2 2 360.933 4.081 20 0 FIADLP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000236633811 1092404544 /nfs/dbraw/zinc/40/45/44/1092404544.db2.gz HZVZFXDRZGNTBE-MRXNPFEDSA-N 2 2 360.933 4.081 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000236645285 1092407001 /nfs/dbraw/zinc/40/70/01/1092407001.db2.gz GDJGYYRTABAGFQ-UHFFFAOYSA-N 2 2 353.510 4.013 20 0 FIADLP CC[NH+]1CCC([NH2+]Cc2cccc(OCCCc3ccccc3)c2)CC1 ZINC000521172706 1092549228 /nfs/dbraw/zinc/54/92/28/1092549228.db2.gz BHTKHMCCCRTTCX-UHFFFAOYSA-N 2 2 352.522 4.272 20 0 FIADLP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)c1ccccc1 ZINC000500794636 1092580018 /nfs/dbraw/zinc/58/00/18/1092580018.db2.gz KKQRLHWDKNCVCP-LJQANCHMSA-N 2 2 359.901 4.033 20 0 FIADLP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)c1ccccc1 ZINC000500794636 1092580027 /nfs/dbraw/zinc/58/00/27/1092580027.db2.gz KKQRLHWDKNCVCP-LJQANCHMSA-N 2 2 359.901 4.033 20 0 FIADLP Clc1ccc2c(ccn2CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000512511627 1092619683 /nfs/dbraw/zinc/61/96/83/1092619683.db2.gz JPQXENFHAIWJLG-UHFFFAOYSA-N 2 2 356.882 4.332 20 0 FIADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245560444 1092664560 /nfs/dbraw/zinc/66/45/60/1092664560.db2.gz BXBOFWNLZCLYLS-CPUCHLNUSA-N 2 2 371.872 4.231 20 0 FIADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245560444 1092664566 /nfs/dbraw/zinc/66/45/66/1092664566.db2.gz BXBOFWNLZCLYLS-CPUCHLNUSA-N 2 2 371.872 4.231 20 0 FIADLP OCCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCCc2ccccc21 ZINC000544349001 1092751453 /nfs/dbraw/zinc/75/14/53/1092751453.db2.gz WEEUGRWZRMUDLP-NRFANRHFSA-N 2 2 367.518 4.196 20 0 FIADLP OCCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCCc2ccccc21 ZINC000544349001 1092751460 /nfs/dbraw/zinc/75/14/60/1092751460.db2.gz WEEUGRWZRMUDLP-NRFANRHFSA-N 2 2 367.518 4.196 20 0 FIADLP CSc1ccccc1[C@@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000442865034 1092810464 /nfs/dbraw/zinc/81/04/64/1092810464.db2.gz HJLNZLXLVOVGQG-WBVHZDCISA-N 2 2 356.539 4.117 20 0 FIADLP Fc1cccc(C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]2CCCO2)c1 ZINC000544350907 1092959362 /nfs/dbraw/zinc/95/93/62/1092959362.db2.gz LDYTUFZHBICXJJ-IBGZPJMESA-N 2 2 371.481 4.254 20 0 FIADLP Fc1cccc(C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]2CCCO2)c1 ZINC000544350907 1092959363 /nfs/dbraw/zinc/95/93/63/1092959363.db2.gz LDYTUFZHBICXJJ-IBGZPJMESA-N 2 2 371.481 4.254 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015287 1092997822 /nfs/dbraw/zinc/99/78/22/1092997822.db2.gz QMDRBHSAFFVSEB-QXUYBEEESA-N 3 2 357.586 4.282 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015287 1092997825 /nfs/dbraw/zinc/99/78/25/1092997825.db2.gz QMDRBHSAFFVSEB-QXUYBEEESA-N 3 2 357.586 4.282 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC[C@@H]2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015287 1092997829 /nfs/dbraw/zinc/99/78/29/1092997829.db2.gz QMDRBHSAFFVSEB-QXUYBEEESA-N 3 2 357.586 4.282 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC[C@@H]2C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168015287 1092997831 /nfs/dbraw/zinc/99/78/31/1092997831.db2.gz QMDRBHSAFFVSEB-QXUYBEEESA-N 3 2 357.586 4.282 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168017513 1093151287 /nfs/dbraw/zinc/15/12/87/1093151287.db2.gz AVOOOVGUTFYMBP-KLXZVUIASA-N 3 2 355.570 4.033 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168017513 1093151290 /nfs/dbraw/zinc/15/12/90/1093151290.db2.gz AVOOOVGUTFYMBP-KLXZVUIASA-N 3 2 355.570 4.033 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168017513 1093151292 /nfs/dbraw/zinc/15/12/92/1093151292.db2.gz AVOOOVGUTFYMBP-KLXZVUIASA-N 3 2 355.570 4.033 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168017513 1093151295 /nfs/dbraw/zinc/15/12/95/1093151295.db2.gz AVOOOVGUTFYMBP-KLXZVUIASA-N 3 2 355.570 4.033 20 0 FIADLP C[NH+](C)Cc1cc(C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)ccc1F ZINC000544354973 1093202852 /nfs/dbraw/zinc/20/28/52/1093202852.db2.gz YDZVRAKLIAXOSR-JOCHJYFZSA-N 2 2 367.443 4.301 20 0 FIADLP CC(C)[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1nc(C2CC2)no1 ZINC000411487161 1093330685 /nfs/dbraw/zinc/33/06/85/1093330685.db2.gz INRZHOYVCUAHGI-FQEVSTJZSA-N 2 2 368.525 4.420 20 0 FIADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419285199 1093433511 /nfs/dbraw/zinc/43/35/11/1093433511.db2.gz DHURIXUQUSMIKA-KRWDZBQOSA-N 2 2 357.542 4.052 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000191517549 1093436488 /nfs/dbraw/zinc/43/64/88/1093436488.db2.gz DMUKICNYNHTSNS-UHFFFAOYSA-N 2 2 356.445 4.152 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000191517549 1093436493 /nfs/dbraw/zinc/43/64/93/1093436493.db2.gz DMUKICNYNHTSNS-UHFFFAOYSA-N 2 2 356.445 4.152 20 0 FIADLP COCc1ccccc1/C=C(\C)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000509840040 1093531779 /nfs/dbraw/zinc/53/17/79/1093531779.db2.gz OXCIQSQMOLXJHY-XDHOZWIPSA-N 2 2 361.489 4.271 20 0 FIADLP C[C@@H]1CC([NH+]2CCC([NH3+])(CC3CC3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168032595 1093666982 /nfs/dbraw/zinc/66/69/82/1093666982.db2.gz IEZNBJONXZAFSD-RTBURBONSA-N 3 2 355.570 4.021 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513042934 1093689140 /nfs/dbraw/zinc/68/91/40/1093689140.db2.gz VUAKJTCVFNUPAO-HYBUGGRVSA-N 3 2 369.597 4.284 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513042934 1093689141 /nfs/dbraw/zinc/68/91/41/1093689141.db2.gz VUAKJTCVFNUPAO-HYBUGGRVSA-N 3 2 369.597 4.284 20 0 FIADLP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000513081386 1093783736 /nfs/dbraw/zinc/78/37/36/1093783736.db2.gz GAZJIVBWSXZMOZ-IOMROCGXSA-N 2 2 367.518 4.375 20 0 FIADLP C[C@@H]1CC([NH+]2CCC([NH3+])(CC3CCC3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168036077 1093836314 /nfs/dbraw/zinc/83/63/14/1093836314.db2.gz TUVQIWCOYLGJNH-WOJBJXKFSA-N 3 2 369.597 4.412 20 0 FIADLP C[C@H]1CC([NH+]2CCC([NH3+])(CC3CCC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168036071 1093836768 /nfs/dbraw/zinc/83/67/68/1093836768.db2.gz TUVQIWCOYLGJNH-PMACEKPBSA-N 3 2 369.597 4.412 20 0 FIADLP CC(C)c1cc(NCC2CC[NH+](C3CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000664153240 1093869912 /nfs/dbraw/zinc/86/99/12/1093869912.db2.gz QTWVDRCJYVUDJQ-UHFFFAOYSA-N 2 2 360.546 4.026 20 0 FIADLP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000513479462 1094156288 /nfs/dbraw/zinc/15/62/88/1094156288.db2.gz MNWQTLNXNJUJCF-UHFFFAOYSA-N 2 2 374.532 4.482 20 0 FIADLP Cc1cccc(-c2n[nH]cc2C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000513479462 1094156291 /nfs/dbraw/zinc/15/62/91/1094156291.db2.gz MNWQTLNXNJUJCF-UHFFFAOYSA-N 2 2 374.532 4.482 20 0 FIADLP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000513488016 1094167241 /nfs/dbraw/zinc/16/72/41/1094167241.db2.gz NQCMKJQQMVBESW-NFBKMPQASA-N 3 2 374.532 4.263 20 0 FIADLP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[N@H+]1Cc1ccccc1 ZINC000513488016 1094167245 /nfs/dbraw/zinc/16/72/45/1094167245.db2.gz NQCMKJQQMVBESW-NFBKMPQASA-N 3 2 374.532 4.263 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C)sc2C)[C@@H]1c1cnn(C)c1 ZINC000434018390 1094239962 /nfs/dbraw/zinc/23/99/62/1094239962.db2.gz ZSTGUHIPMASBBA-FXAWDEMLSA-N 2 2 360.571 4.003 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C)sc2C)[C@@H]1c1cnn(C)c1 ZINC000434018390 1094239966 /nfs/dbraw/zinc/23/99/66/1094239966.db2.gz ZSTGUHIPMASBBA-FXAWDEMLSA-N 2 2 360.571 4.003 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc(C)sc2C)[C@@H]1c1cnn(C)c1 ZINC000434018390 1094239972 /nfs/dbraw/zinc/23/99/72/1094239972.db2.gz ZSTGUHIPMASBBA-FXAWDEMLSA-N 2 2 360.571 4.003 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc(C)sc2C)[C@@H]1c1cnn(C)c1 ZINC000434018390 1094239979 /nfs/dbraw/zinc/23/99/79/1094239979.db2.gz ZSTGUHIPMASBBA-FXAWDEMLSA-N 2 2 360.571 4.003 20 0 FIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434018454 1094240004 /nfs/dbraw/zinc/24/00/04/1094240004.db2.gz OHRHTLHIEAAUJQ-HKUYNNGSSA-N 2 2 363.427 4.225 20 0 FIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434018454 1094240010 /nfs/dbraw/zinc/24/00/10/1094240010.db2.gz OHRHTLHIEAAUJQ-HKUYNNGSSA-N 2 2 363.427 4.225 20 0 FIADLP C[NH+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434018454 1094240015 /nfs/dbraw/zinc/24/00/15/1094240015.db2.gz OHRHTLHIEAAUJQ-HKUYNNGSSA-N 2 2 363.427 4.225 20 0 FIADLP C[NH+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434018454 1094240019 /nfs/dbraw/zinc/24/00/19/1094240019.db2.gz OHRHTLHIEAAUJQ-HKUYNNGSSA-N 2 2 363.427 4.225 20 0 FIADLP C[C@@H]1CC([NH2+]C2CC[NH+](CC3CCC3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168037275 1094361031 /nfs/dbraw/zinc/36/10/31/1094361031.db2.gz XHECMJQMRBQWGF-WOJBJXKFSA-N 3 2 369.597 4.282 20 0 FIADLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168039919 1094480721 /nfs/dbraw/zinc/48/07/21/1094480721.db2.gz IRQKWXRKYSKLLI-NVJIOZQYSA-N 3 2 357.586 4.136 20 0 FIADLP CC(C)[N@H+]1CC[C@H]([NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168039919 1094480724 /nfs/dbraw/zinc/48/07/24/1094480724.db2.gz IRQKWXRKYSKLLI-NVJIOZQYSA-N 3 2 357.586 4.136 20 0 FIADLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC001168039922 1094480895 /nfs/dbraw/zinc/48/08/95/1094480895.db2.gz IRQKWXRKYSKLLI-URFJDIBFSA-N 3 2 357.586 4.136 20 0 FIADLP CC(C)[N@H+]1CC[C@H]([NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC001168039922 1094480901 /nfs/dbraw/zinc/48/09/01/1094480901.db2.gz IRQKWXRKYSKLLI-URFJDIBFSA-N 3 2 357.586 4.136 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cncnc2C(C)(F)F)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168040501 1094514342 /nfs/dbraw/zinc/51/43/42/1094514342.db2.gz NNDYWCPXUNJOIW-HGKCTWBKSA-N 2 2 374.479 4.120 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cncnc2C(C)(F)F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040501 1094514349 /nfs/dbraw/zinc/51/43/49/1094514349.db2.gz NNDYWCPXUNJOIW-HGKCTWBKSA-N 2 2 374.479 4.120 20 0 FIADLP CCc1nc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cs1 ZINC000266169313 1094600691 /nfs/dbraw/zinc/60/06/91/1094600691.db2.gz QKRVKAWIXUWVPF-UHFFFAOYSA-N 2 2 355.507 4.220 20 0 FIADLP CCc1nc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cs1 ZINC000266169313 1094600703 /nfs/dbraw/zinc/60/07/03/1094600703.db2.gz QKRVKAWIXUWVPF-UHFFFAOYSA-N 2 2 355.507 4.220 20 0 FIADLP COc1cccc2c1OC[C@@H]2[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042304 1094681334 /nfs/dbraw/zinc/68/13/34/1094681334.db2.gz YTUCJMAPTCNAIB-FIKGOQFSSA-N 2 2 366.505 4.160 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H]2C(C)=CCC[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000443855052 1095111165 /nfs/dbraw/zinc/11/11/65/1095111165.db2.gz PEBUTDWSJCTVJG-XMGTWHOFSA-N 2 2 358.574 4.117 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H]2C(C)=CCC[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000443855052 1095111174 /nfs/dbraw/zinc/11/11/74/1095111174.db2.gz PEBUTDWSJCTVJG-XMGTWHOFSA-N 2 2 358.574 4.117 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H]2C(C)=CCC[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000443855052 1095111181 /nfs/dbraw/zinc/11/11/81/1095111181.db2.gz PEBUTDWSJCTVJG-XMGTWHOFSA-N 2 2 358.574 4.117 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H]2C(C)=CCC[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000443855052 1095111187 /nfs/dbraw/zinc/11/11/87/1095111187.db2.gz PEBUTDWSJCTVJG-XMGTWHOFSA-N 2 2 358.574 4.117 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1nc(C(C)(C)C)cs1 ZINC000420914785 1095182206 /nfs/dbraw/zinc/18/22/06/1095182206.db2.gz CZIUOSYDCXBNAD-MRXNPFEDSA-N 2 2 373.566 4.124 20 0 FIADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc2n1 ZINC000502306104 1095328965 /nfs/dbraw/zinc/32/89/65/1095328965.db2.gz ZIPYJUJASPNKRC-SFHVURJKSA-N 2 2 360.505 4.456 20 0 FIADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc2n1 ZINC000502306104 1095328985 /nfs/dbraw/zinc/32/89/85/1095328985.db2.gz ZIPYJUJASPNKRC-SFHVURJKSA-N 2 2 360.505 4.456 20 0 FIADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)c1 ZINC000502306002 1095330238 /nfs/dbraw/zinc/33/02/38/1095330238.db2.gz BXRZLSKUICWZSI-MRXNPFEDSA-N 2 2 359.901 4.261 20 0 FIADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)c1 ZINC000502306002 1095330257 /nfs/dbraw/zinc/33/02/57/1095330257.db2.gz BXRZLSKUICWZSI-MRXNPFEDSA-N 2 2 359.901 4.261 20 0 FIADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502336776 1095373990 /nfs/dbraw/zinc/37/39/90/1095373990.db2.gz WQGFUMULUIPTKJ-OAHLLOKOSA-N 2 2 359.901 4.261 20 0 FIADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502336776 1095374007 /nfs/dbraw/zinc/37/40/07/1095374007.db2.gz WQGFUMULUIPTKJ-OAHLLOKOSA-N 2 2 359.901 4.261 20 0 FIADLP C[C@H]1CCc2nc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)sc2C1 ZINC000502337303 1095374247 /nfs/dbraw/zinc/37/42/47/1095374247.db2.gz XDRQHYIXVLRCLM-JKSUJKDBSA-N 2 2 370.566 4.180 20 0 FIADLP C[C@H]1CCc2nc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)sc2C1 ZINC000502337303 1095374266 /nfs/dbraw/zinc/37/42/66/1095374266.db2.gz XDRQHYIXVLRCLM-JKSUJKDBSA-N 2 2 370.566 4.180 20 0 FIADLP Fc1ccc2nc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)sc2c1 ZINC000502343440 1095380571 /nfs/dbraw/zinc/38/05/71/1095380571.db2.gz FBMSKWJKYLLMOM-AWEZNQCLSA-N 2 2 370.497 4.348 20 0 FIADLP Fc1ccc2nc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)sc2c1 ZINC000502343440 1095380588 /nfs/dbraw/zinc/38/05/88/1095380588.db2.gz FBMSKWJKYLLMOM-AWEZNQCLSA-N 2 2 370.497 4.348 20 0 FIADLP c1coc(-c2ncc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)s2)c1 ZINC000502345653 1095381924 /nfs/dbraw/zinc/38/19/24/1095381924.db2.gz LKYJSAAZUWOXIT-HNNXBMFYSA-N 2 2 368.506 4.316 20 0 FIADLP c1coc(-c2ncc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)s2)c1 ZINC000502345653 1095381934 /nfs/dbraw/zinc/38/19/34/1095381934.db2.gz LKYJSAAZUWOXIT-HNNXBMFYSA-N 2 2 368.506 4.316 20 0 FIADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc2cccnc12 ZINC000502344777 1095383320 /nfs/dbraw/zinc/38/33/20/1095383320.db2.gz JILPFCPQWRMANQ-FQEVSTJZSA-N 2 2 360.505 4.456 20 0 FIADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc2cccnc12 ZINC000502344777 1095383337 /nfs/dbraw/zinc/38/33/37/1095383337.db2.gz JILPFCPQWRMANQ-FQEVSTJZSA-N 2 2 360.505 4.456 20 0 FIADLP CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)ccc2O1 ZINC000502345621 1095383685 /nfs/dbraw/zinc/38/36/85/1095383685.db2.gz LHCYWKYWNKTSMU-GOSISDBHSA-N 2 2 365.521 4.313 20 0 FIADLP CC1(C)Cc2cc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)ccc2O1 ZINC000502345621 1095383702 /nfs/dbraw/zinc/38/37/02/1095383702.db2.gz LHCYWKYWNKTSMU-GOSISDBHSA-N 2 2 365.521 4.313 20 0 FIADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)oc1C ZINC000502427311 1095465248 /nfs/dbraw/zinc/46/52/48/1095465248.db2.gz AODJONVIWSTELZ-FGTMMUONSA-N 2 2 356.510 4.356 20 0 FIADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)oc1C ZINC000502427311 1095465253 /nfs/dbraw/zinc/46/52/53/1095465253.db2.gz AODJONVIWSTELZ-FGTMMUONSA-N 2 2 356.510 4.356 20 0 FIADLP C[C@@H]1CC([N@@H+]2CCOc3ccccc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168051024 1095768201 /nfs/dbraw/zinc/76/82/01/1095768201.db2.gz FIWYJDOYYIGJFQ-RTBURBONSA-N 2 2 350.506 4.323 20 0 FIADLP C[C@@H]1CC([N@H+]2CCOc3ccccc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168051024 1095768217 /nfs/dbraw/zinc/76/82/17/1095768217.db2.gz FIWYJDOYYIGJFQ-RTBURBONSA-N 2 2 350.506 4.323 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000272649894 1096198368 /nfs/dbraw/zinc/19/83/68/1096198368.db2.gz DTHQXIIFGANLSO-MJGOQNOKSA-N 2 2 370.459 4.161 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1C ZINC000272830140 1096216270 /nfs/dbraw/zinc/21/62/70/1096216270.db2.gz FEOGHPLLOIVZLA-ROUUACIJSA-N 2 2 353.510 4.275 20 0 FIADLP CC(C)(C)c1csc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000503369966 1096369901 /nfs/dbraw/zinc/36/99/01/1096369901.db2.gz CQUFCRMEJYLYCQ-HNNXBMFYSA-N 2 2 358.555 4.353 20 0 FIADLP CC(C)(C)c1csc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000503369966 1096369909 /nfs/dbraw/zinc/36/99/09/1096369909.db2.gz CQUFCRMEJYLYCQ-HNNXBMFYSA-N 2 2 358.555 4.353 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)c1c[nH+]ccc1N ZINC000422733560 1096465138 /nfs/dbraw/zinc/46/51/38/1096465138.db2.gz RDXZPDSHKWDGIE-KRWDZBQOSA-N 3 2 352.526 4.109 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1c[nH+]ccc1N ZINC000422733560 1096465143 /nfs/dbraw/zinc/46/51/43/1096465143.db2.gz RDXZPDSHKWDGIE-KRWDZBQOSA-N 3 2 352.526 4.109 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1nc(-c2ccncc2)cs1 ZINC000422911595 1096522211 /nfs/dbraw/zinc/52/22/11/1096522211.db2.gz LDGWQRXOCQZWNE-ZYSHUDEJSA-N 2 2 364.518 4.349 20 0 FIADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])c3ccccc3)s2)cc1 ZINC000423230998 1096624816 /nfs/dbraw/zinc/62/48/16/1096624816.db2.gz AJCLNMUZJGQLPP-IFXJQAMLSA-N 2 2 367.518 4.478 20 0 FIADLP FC(F)(F)c1ccc([C@@H]([NH2+]CC2C[NH2+]C2)c2ccc(Cl)cc2)cc1 ZINC000423299051 1096645361 /nfs/dbraw/zinc/64/53/61/1096645361.db2.gz AYISDHNEVJUTMY-QGZVFWFLSA-N 2 2 354.803 4.257 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C ZINC000533310485 1098946068 /nfs/dbraw/zinc/94/60/68/1098946068.db2.gz SOWGOAVBZAOUEI-AVRDEDQJSA-N 2 2 365.521 4.244 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C ZINC000533310485 1098946071 /nfs/dbraw/zinc/94/60/71/1098946071.db2.gz SOWGOAVBZAOUEI-AVRDEDQJSA-N 2 2 365.521 4.244 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C ZINC000533310485 1098946072 /nfs/dbraw/zinc/94/60/72/1098946072.db2.gz SOWGOAVBZAOUEI-AVRDEDQJSA-N 2 2 365.521 4.244 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C ZINC000533310485 1098946074 /nfs/dbraw/zinc/94/60/74/1098946074.db2.gz SOWGOAVBZAOUEI-AVRDEDQJSA-N 2 2 365.521 4.244 20 0 FIADLP Cc1cc(C)c(NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000455466463 1099238392 /nfs/dbraw/zinc/23/83/92/1099238392.db2.gz ADNLJSLTACWGBT-HXUWFJFHSA-N 2 2 366.509 4.039 20 0 FIADLP Cc1cc(C)c(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000455466463 1099238402 /nfs/dbraw/zinc/23/84/02/1099238402.db2.gz ADNLJSLTACWGBT-HXUWFJFHSA-N 2 2 366.509 4.039 20 0 FIADLP Cc1ccc([C@H](CNC(=O)Nc2c(C)cc(C)[nH+]c2C)[NH+]2CCCC2)cc1 ZINC000455467990 1099240011 /nfs/dbraw/zinc/24/00/11/1099240011.db2.gz GRSIWDIYBKWKOW-FQEVSTJZSA-N 2 2 366.509 4.274 20 0 FIADLP Cc1cc(C)c(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c(C)[nH+]1 ZINC000455471496 1099242465 /nfs/dbraw/zinc/24/24/65/1099242465.db2.gz IUOWLYZIEOOEFW-INIZCTEOSA-N 2 2 358.511 4.027 20 0 FIADLP Cc1cc(C)c(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000455475649 1099245790 /nfs/dbraw/zinc/24/57/90/1099245790.db2.gz DMDJWHLSGGSEPY-FQEVSTJZSA-N 2 2 366.509 4.135 20 0 FIADLP Cc1cc(C)c(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000455475649 1099245804 /nfs/dbraw/zinc/24/58/04/1099245804.db2.gz DMDJWHLSGGSEPY-FQEVSTJZSA-N 2 2 366.509 4.135 20 0 FIADLP CC[C@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@@H+]1Cc1ccccc1 ZINC000455480918 1099251985 /nfs/dbraw/zinc/25/19/85/1099251985.db2.gz HJJOLKHNWGUNQY-FQEVSTJZSA-N 2 2 366.509 4.135 20 0 FIADLP CC[C@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000455480918 1099251993 /nfs/dbraw/zinc/25/19/93/1099251993.db2.gz HJJOLKHNWGUNQY-FQEVSTJZSA-N 2 2 366.509 4.135 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c(C)[nH+]1 ZINC000455524493 1099301421 /nfs/dbraw/zinc/30/14/21/1099301421.db2.gz OLGAGWKKDQQMAO-XLIONFOSSA-N 2 2 354.498 4.128 20 0 FIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655762514 1099321360 /nfs/dbraw/zinc/32/13/60/1099321360.db2.gz WMFOHLYJXXZNEK-MJGOQNOKSA-N 2 2 370.459 4.222 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000508679918 1099751395 /nfs/dbraw/zinc/75/13/95/1099751395.db2.gz ROYBQOFWDDFDEN-LJQANCHMSA-N 2 2 353.510 4.196 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000508679918 1099751400 /nfs/dbraw/zinc/75/14/00/1099751400.db2.gz ROYBQOFWDDFDEN-LJQANCHMSA-N 2 2 353.510 4.196 20 0 FIADLP Cc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc(N2CCCC2)n1 ZINC000289822974 1099926648 /nfs/dbraw/zinc/92/66/48/1099926648.db2.gz PBCNYASVEJFJOF-SFHVURJKSA-N 2 2 361.493 4.027 20 0 FIADLP CCC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)cc1Cl ZINC000533784261 1099932238 /nfs/dbraw/zinc/93/22/38/1099932238.db2.gz ARRSCTNLLHTCLF-GOSISDBHSA-N 2 2 359.341 4.271 20 0 FIADLP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2CCc2c[nH+]cn2C)c1 ZINC000459403801 1100111890 /nfs/dbraw/zinc/11/18/90/1100111890.db2.gz GTBMINNGOKJJMU-XZOQPEGZSA-N 2 2 361.489 4.202 20 0 FIADLP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2CCc2c[nH+]cn2C)c1 ZINC000459403801 1100111898 /nfs/dbraw/zinc/11/18/98/1100111898.db2.gz GTBMINNGOKJJMU-XZOQPEGZSA-N 2 2 361.489 4.202 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[N@@H+]1C ZINC000536681690 1100148783 /nfs/dbraw/zinc/14/87/83/1100148783.db2.gz REDGPXMSHHQSRD-NQIIRXRSSA-N 2 2 368.569 4.143 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[N@H+]1C ZINC000536681690 1100148791 /nfs/dbraw/zinc/14/87/91/1100148791.db2.gz REDGPXMSHHQSRD-NQIIRXRSSA-N 2 2 368.569 4.143 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[NH+]1C ZINC000536681690 1100148802 /nfs/dbraw/zinc/14/88/02/1100148802.db2.gz REDGPXMSHHQSRD-NQIIRXRSSA-N 2 2 368.569 4.143 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[NH+]1C ZINC000536681690 1100148819 /nfs/dbraw/zinc/14/88/19/1100148819.db2.gz REDGPXMSHHQSRD-NQIIRXRSSA-N 2 2 368.569 4.143 20 0 FIADLP COc1ccc(OC)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000536674495 1100161731 /nfs/dbraw/zinc/16/17/31/1100161731.db2.gz RDUBGELCQUUJPN-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(OC)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000536674495 1100161748 /nfs/dbraw/zinc/16/17/48/1100161748.db2.gz RDUBGELCQUUJPN-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(OC)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000536674495 1100161752 /nfs/dbraw/zinc/16/17/52/1100161752.db2.gz RDUBGELCQUUJPN-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(OC)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000536674495 1100161763 /nfs/dbraw/zinc/16/17/63/1100161763.db2.gz RDUBGELCQUUJPN-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc2ccccc2n1CCC ZINC000517228727 1100205181 /nfs/dbraw/zinc/20/51/81/1100205181.db2.gz XRHXIZRBFWGESB-UHFFFAOYSA-N 2 2 353.514 4.117 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2ccccc2n1CCC ZINC000517228727 1100205187 /nfs/dbraw/zinc/20/51/87/1100205187.db2.gz XRHXIZRBFWGESB-UHFFFAOYSA-N 2 2 353.514 4.117 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCc2cccc(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000459487231 1100221469 /nfs/dbraw/zinc/22/14/69/1100221469.db2.gz LTYLZJGIOUXKAJ-GHTZIAJQSA-N 2 2 374.960 4.021 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCc2cccc(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000459487231 1100221474 /nfs/dbraw/zinc/22/14/74/1100221474.db2.gz LTYLZJGIOUXKAJ-GHTZIAJQSA-N 2 2 374.960 4.021 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCc2cccc(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000459487231 1100221479 /nfs/dbraw/zinc/22/14/79/1100221479.db2.gz LTYLZJGIOUXKAJ-GHTZIAJQSA-N 2 2 374.960 4.021 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCc2cccc(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000459487231 1100221486 /nfs/dbraw/zinc/22/14/86/1100221486.db2.gz LTYLZJGIOUXKAJ-GHTZIAJQSA-N 2 2 374.960 4.021 20 0 FIADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000536730423 1100238369 /nfs/dbraw/zinc/23/83/69/1100238369.db2.gz GYUVSSUIBBCFLW-KBXCAEBGSA-N 2 2 351.332 4.100 20 0 FIADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000536730423 1100238375 /nfs/dbraw/zinc/23/83/75/1100238375.db2.gz GYUVSSUIBBCFLW-KBXCAEBGSA-N 2 2 351.332 4.100 20 0 FIADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000536730423 1100238383 /nfs/dbraw/zinc/23/83/83/1100238383.db2.gz GYUVSSUIBBCFLW-KBXCAEBGSA-N 2 2 351.332 4.100 20 0 FIADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000536730423 1100238392 /nfs/dbraw/zinc/23/83/92/1100238392.db2.gz GYUVSSUIBBCFLW-KBXCAEBGSA-N 2 2 351.332 4.100 20 0 FIADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000536730426 1100239613 /nfs/dbraw/zinc/23/96/13/1100239613.db2.gz GYUVSSUIBBCFLW-RDTXWAMCSA-N 2 2 351.332 4.100 20 0 FIADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000536730426 1100239623 /nfs/dbraw/zinc/23/96/23/1100239623.db2.gz GYUVSSUIBBCFLW-RDTXWAMCSA-N 2 2 351.332 4.100 20 0 FIADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000536730426 1100239633 /nfs/dbraw/zinc/23/96/33/1100239633.db2.gz GYUVSSUIBBCFLW-RDTXWAMCSA-N 2 2 351.332 4.100 20 0 FIADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000536730426 1100239642 /nfs/dbraw/zinc/23/96/42/1100239642.db2.gz GYUVSSUIBBCFLW-RDTXWAMCSA-N 2 2 351.332 4.100 20 0 FIADLP Cc1ccc2cc([C@@H](C)[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)oc2c1 ZINC000425937601 1100347256 /nfs/dbraw/zinc/34/72/56/1100347256.db2.gz SJQXIKIZBDDJDV-GOSISDBHSA-N 2 2 364.489 4.424 20 0 FIADLP Cc1ccc2cc([C@H](C)[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)oc2c1 ZINC000426032978 1100700294 /nfs/dbraw/zinc/70/02/94/1100700294.db2.gz AGLQKTVLCVNCCV-FDDCHVKYSA-N 2 2 364.489 4.029 20 0 FIADLP Cc1ccc2cc([C@H](C)[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)oc2c1 ZINC000426032978 1100700302 /nfs/dbraw/zinc/70/03/02/1100700302.db2.gz AGLQKTVLCVNCCV-FDDCHVKYSA-N 2 2 364.489 4.029 20 0 FIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000537242990 1101581466 /nfs/dbraw/zinc/58/14/66/1101581466.db2.gz WIYVGLKYIVOKLK-OAHLLOKOSA-N 2 2 371.916 4.198 20 0 FIADLP CCO[C@@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1(CC)CC ZINC000537296567 1101618725 /nfs/dbraw/zinc/61/87/25/1101618725.db2.gz VGZFEHLOQQGLBS-WOJBJXKFSA-N 2 2 355.526 4.047 20 0 FIADLP CC[NH+]1CCC([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000506690371 1101794841 /nfs/dbraw/zinc/79/48/41/1101794841.db2.gz PQEBCZFAXUQODS-UHFFFAOYSA-N 2 2 374.532 4.455 20 0 FIADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000506690371 1101794852 /nfs/dbraw/zinc/79/48/52/1101794852.db2.gz PQEBCZFAXUQODS-UHFFFAOYSA-N 2 2 374.532 4.455 20 0 FIADLP Brc1cccc(C2([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000537449504 1101794879 /nfs/dbraw/zinc/79/48/79/1101794879.db2.gz JBIGZGPODPXHAR-UHFFFAOYSA-N 2 2 372.310 4.092 20 0 FIADLP COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000426504855 1101797085 /nfs/dbraw/zinc/79/70/85/1101797085.db2.gz QAYJSFACUNFYRV-GOSISDBHSA-N 2 2 361.898 4.407 20 0 FIADLP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000426504855 1101797098 /nfs/dbraw/zinc/79/70/98/1101797098.db2.gz QAYJSFACUNFYRV-GOSISDBHSA-N 2 2 361.898 4.407 20 0 FIADLP C[C@H]1C[C@@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c2ccsc2S1 ZINC000537456807 1101823082 /nfs/dbraw/zinc/82/30/82/1101823082.db2.gz YWGAECMRNSUAHT-JLJPHGGASA-N 2 2 374.579 4.321 20 0 FIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H](c3ccc(Cl)cc3)C3CC3)[nH+]c2)C1 ZINC000537456481 1101825753 /nfs/dbraw/zinc/82/57/53/1101825753.db2.gz RFJSBJWKYSIRKO-FPOVZHCZSA-N 2 2 370.928 4.439 20 0 FIADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC001168170301 1101889382 /nfs/dbraw/zinc/88/93/82/1101889382.db2.gz JHKVAUHEZZTYSH-VOQZNFBZSA-N 2 2 372.940 4.150 20 0 FIADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC001168170301 1101889401 /nfs/dbraw/zinc/88/94/01/1101889401.db2.gz JHKVAUHEZZTYSH-VOQZNFBZSA-N 2 2 372.940 4.150 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1nc2ccccc2n1C ZINC000398042695 1101962648 /nfs/dbraw/zinc/96/26/48/1101962648.db2.gz UATSDWFETRWXHR-WSTZPKSXSA-N 2 2 362.521 4.135 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1nc2ccccc2n1C ZINC000398042695 1101962655 /nfs/dbraw/zinc/96/26/55/1101962655.db2.gz UATSDWFETRWXHR-WSTZPKSXSA-N 2 2 362.521 4.135 20 0 FIADLP Clc1ccc([C@H](Cc2cccnc2)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000546165029 1101991639 /nfs/dbraw/zinc/99/16/39/1101991639.db2.gz QGLINDHUFSDCHJ-FQEVSTJZSA-N 2 2 354.885 4.285 20 0 FIADLP Cc1ccc2c(c1)[C@H](Nc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)CC2 ZINC000537487477 1102178418 /nfs/dbraw/zinc/17/84/18/1102178418.db2.gz UQXVFYKPBNZCRM-OAQYLSRUSA-N 2 2 350.510 4.020 20 0 FIADLP Cc1cnc([C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C2CC2)s1 ZINC000120925625 1102282250 /nfs/dbraw/zinc/28/22/50/1102282250.db2.gz SXZGMQDIWVWMHN-FQEVSTJZSA-N 2 2 373.541 4.338 20 0 FIADLP C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537961624 1102297756 /nfs/dbraw/zinc/29/77/56/1102297756.db2.gz RKSFULZDAIMOQE-MJGOQNOKSA-N 2 2 364.468 4.331 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(OC)cc1 ZINC000090667236 1102306483 /nfs/dbraw/zinc/30/64/83/1102306483.db2.gz KVSZWBIZYJWANH-HTAPYJJXSA-N 2 2 353.510 4.357 20 0 FIADLP Cc1ccccc1-c1nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)no1 ZINC000121759505 1102449412 /nfs/dbraw/zinc/44/94/12/1102449412.db2.gz VMDKSIHZTKHHFP-UHFFFAOYSA-N 2 2 368.525 4.133 20 0 FIADLP c1cn(-c2ccc(C[N@@H+](Cc3ccccc3)CC3CCOCC3)cc2)c[nH+]1 ZINC000111261408 1102497447 /nfs/dbraw/zinc/49/74/47/1102497447.db2.gz GKSDNDQBEOFGPL-UHFFFAOYSA-N 2 2 361.489 4.301 20 0 FIADLP c1cn(-c2ccc(C[N@H+](Cc3ccccc3)CC3CCOCC3)cc2)c[nH+]1 ZINC000111261408 1102497452 /nfs/dbraw/zinc/49/74/52/1102497452.db2.gz GKSDNDQBEOFGPL-UHFFFAOYSA-N 2 2 361.489 4.301 20 0 FIADLP C[C@@H](c1csnn1)[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664839323 1102740572 /nfs/dbraw/zinc/74/05/72/1102740572.db2.gz XFJSPMSDOXIIFL-OXJNMPFZSA-N 2 2 370.566 4.222 20 0 FIADLP C[C@@H](c1csnn1)[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664839323 1102740580 /nfs/dbraw/zinc/74/05/80/1102740580.db2.gz XFJSPMSDOXIIFL-OXJNMPFZSA-N 2 2 370.566 4.222 20 0 FIADLP C[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000551034749 1102823496 /nfs/dbraw/zinc/82/34/96/1102823496.db2.gz ONDWSQHSIROEJV-AGILITTLSA-N 3 2 365.565 4.322 20 0 FIADLP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000551034749 1102823514 /nfs/dbraw/zinc/82/35/14/1102823514.db2.gz ONDWSQHSIROEJV-AGILITTLSA-N 3 2 365.565 4.322 20 0 FIADLP C[C@H](CC[NH2+][C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000551034749 1102823532 /nfs/dbraw/zinc/82/35/32/1102823532.db2.gz ONDWSQHSIROEJV-AGILITTLSA-N 3 2 365.565 4.322 20 0 FIADLP C[C@H](CC[NH2+][C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000551034749 1102823551 /nfs/dbraw/zinc/82/35/51/1102823551.db2.gz ONDWSQHSIROEJV-AGILITTLSA-N 3 2 365.565 4.322 20 0 FIADLP c1[nH+]c(-c2ccc(NC3CCN(c4cc[nH+]cc4)CC3)cc2)n2c1CCCC2 ZINC000459344030 1102869584 /nfs/dbraw/zinc/86/95/84/1102869584.db2.gz GXCUZCMHPDZHCS-UHFFFAOYSA-N 2 2 373.504 4.362 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000550275097 1102910973 /nfs/dbraw/zinc/91/09/73/1102910973.db2.gz QYNKFBOXNKTMGH-INIZCTEOSA-N 2 2 361.424 4.048 20 0 FIADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(-n2cccn2)c(F)c1 ZINC000550275201 1102911624 /nfs/dbraw/zinc/91/16/24/1102911624.db2.gz XOBGPLJMDDKYAM-AWEZNQCLSA-N 2 2 367.453 4.109 20 0 FIADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000532778526 1103197618 /nfs/dbraw/zinc/19/76/18/1103197618.db2.gz JLNGUPNQBJWOIK-MRXNPFEDSA-N 2 2 367.884 4.208 20 0 FIADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000532778526 1103197621 /nfs/dbraw/zinc/19/76/21/1103197621.db2.gz JLNGUPNQBJWOIK-MRXNPFEDSA-N 2 2 367.884 4.208 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000551553114 1103351657 /nfs/dbraw/zinc/35/16/57/1103351657.db2.gz UMCJAUMYDQKWQM-NQIIRXRSSA-N 2 2 366.553 4.259 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)nc2)CC[N@H+]1Cc1ccccc1 ZINC000551553114 1103351676 /nfs/dbraw/zinc/35/16/76/1103351676.db2.gz UMCJAUMYDQKWQM-NQIIRXRSSA-N 2 2 366.553 4.259 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(C(C)(C)C)nc2)CC[NH+]1Cc1ccccc1 ZINC000551553114 1103351686 /nfs/dbraw/zinc/35/16/86/1103351686.db2.gz UMCJAUMYDQKWQM-NQIIRXRSSA-N 2 2 366.553 4.259 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(C(C)(C)C)nc2)CC[NH+]1Cc1ccccc1 ZINC000551553114 1103351698 /nfs/dbraw/zinc/35/16/98/1103351698.db2.gz UMCJAUMYDQKWQM-NQIIRXRSSA-N 2 2 366.553 4.259 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000507461887 1103406849 /nfs/dbraw/zinc/40/68/49/1103406849.db2.gz NGNNPJYBADPYPS-OCCSQVGLSA-N 2 2 360.386 4.362 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2(c3cccc(Cl)c3)CC2)CC1 ZINC000507465276 1103411180 /nfs/dbraw/zinc/41/11/80/1103411180.db2.gz ACBGTHWOITZXKV-UHFFFAOYSA-N 2 2 360.851 4.378 20 0 FIADLP COC(=O)c1coc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000519787707 1103871013 /nfs/dbraw/zinc/87/10/13/1103871013.db2.gz CXVQTGGHIQGYMU-HKUYNNGSSA-N 2 2 370.493 4.019 20 0 FIADLP COC(=O)c1coc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000519787707 1103871025 /nfs/dbraw/zinc/87/10/25/1103871025.db2.gz CXVQTGGHIQGYMU-HKUYNNGSSA-N 2 2 370.493 4.019 20 0 FIADLP COC(=O)c1coc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000519787739 1103871479 /nfs/dbraw/zinc/87/14/79/1103871479.db2.gz CXVQTGGHIQGYMU-PKOBYXMFSA-N 2 2 370.493 4.019 20 0 FIADLP COC(=O)c1coc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000519787739 1103871493 /nfs/dbraw/zinc/87/14/93/1103871493.db2.gz CXVQTGGHIQGYMU-PKOBYXMFSA-N 2 2 370.493 4.019 20 0 FIADLP Fc1ccc([C@@H]2CSCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167994690 1104484074 /nfs/dbraw/zinc/48/40/74/1104484074.db2.gz KORJIJKILXDHIX-JKWVGCSGSA-N 2 2 360.542 4.321 20 0 FIADLP Fc1ccc([C@@H]2CSCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167994690 1104484080 /nfs/dbraw/zinc/48/40/80/1104484080.db2.gz KORJIJKILXDHIX-JKWVGCSGSA-N 2 2 360.542 4.321 20 0 FIADLP Fc1ccc([C@@H]2CSCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167994690 1104484084 /nfs/dbraw/zinc/48/40/84/1104484084.db2.gz KORJIJKILXDHIX-JKWVGCSGSA-N 2 2 360.542 4.321 20 0 FIADLP Fc1ccc([C@@H]2CSCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167994690 1104484087 /nfs/dbraw/zinc/48/40/87/1104484087.db2.gz KORJIJKILXDHIX-JKWVGCSGSA-N 2 2 360.542 4.321 20 0 FIADLP C[C@H]1CC([NH2+]Cc2nc3ccccc3n2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168008215 1105179736 /nfs/dbraw/zinc/17/97/36/1105179736.db2.gz DELMVLJMLCKWHN-ROUUACIJSA-N 2 2 362.521 4.105 20 0 FIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427843745 1105292928 /nfs/dbraw/zinc/29/29/28/1105292928.db2.gz MYFRWTHNVPDMIX-RHSMWYFYSA-N 2 2 352.507 4.289 20 0 FIADLP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427857206 1105296766 /nfs/dbraw/zinc/29/67/66/1105296766.db2.gz PUAVWWVRVOQQDG-TZMCWYRMSA-N 2 2 356.470 4.120 20 0 FIADLP Cc1cccc(COc2ccc([C@H](C)[NH2+][C@H]3CCn4cc[nH+]c4C3)cc2)c1 ZINC000427880025 1105300564 /nfs/dbraw/zinc/30/05/64/1105300564.db2.gz DQFNZVAGFIKRNI-RXVVDRJESA-N 2 2 361.489 4.436 20 0 FIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427872510 1105306120 /nfs/dbraw/zinc/30/61/20/1105306120.db2.gz MKRGFSKWTWSOCZ-WBMJQRKESA-N 2 2 356.470 4.120 20 0 FIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427872509 1105306189 /nfs/dbraw/zinc/30/61/89/1105306189.db2.gz MKRGFSKWTWSOCZ-MLGOLLRUSA-N 2 2 356.470 4.120 20 0 FIADLP Fc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cnc3ccccc3c2)cc1 ZINC000427880917 1105308542 /nfs/dbraw/zinc/30/85/42/1105308542.db2.gz XHXUPIGWYKBQDA-OFNKIYASSA-N 2 2 372.447 4.264 20 0 FIADLP C[C@]1(C[NH2+]C2CCC3(CCOCC3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000427895298 1105312157 /nfs/dbraw/zinc/31/21/57/1105312157.db2.gz SLSGQVDSSMZHKL-JOCHJYFZSA-N 2 2 356.554 4.370 20 0 FIADLP C[C@]1(C[NH2+]C2CCC3(CCOCC3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000427895298 1105312164 /nfs/dbraw/zinc/31/21/64/1105312164.db2.gz SLSGQVDSSMZHKL-JOCHJYFZSA-N 2 2 356.554 4.370 20 0 FIADLP CC[C@@H](Cc1ccccc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475351401 1106742232 /nfs/dbraw/zinc/74/22/32/1106742232.db2.gz GLOIRXVKPBIPSL-VIQWUECVSA-N 2 2 354.460 4.403 20 0 FIADLP COc1cc(C)c([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1C ZINC000544384294 1107202041 /nfs/dbraw/zinc/20/20/41/1107202041.db2.gz LFINPDMLJNUJJQ-IEBWSBKVSA-N 2 2 368.525 4.020 20 0 FIADLP Cc1nc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c2c([nH+]1)CCCC2 ZINC000302081137 1107294799 /nfs/dbraw/zinc/29/47/99/1107294799.db2.gz JCAPPRCTBZAZOR-HNAYVOBHSA-N 2 2 356.539 4.220 20 0 FIADLP Cc1nc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c2c([nH+]1)CCCC2 ZINC000302081137 1107294813 /nfs/dbraw/zinc/29/48/13/1107294813.db2.gz JCAPPRCTBZAZOR-HNAYVOBHSA-N 2 2 356.539 4.220 20 0 FIADLP c1ccc(COc2cccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)c2)cc1 ZINC000475572603 1107776247 /nfs/dbraw/zinc/77/62/47/1107776247.db2.gz QDVYKFOBVGRMQG-UHFFFAOYSA-N 2 2 350.506 4.372 20 0 FIADLP CCc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000428366706 1107898824 /nfs/dbraw/zinc/89/88/24/1107898824.db2.gz YWLBLOUMVNMRIY-VQTJNVASSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1nc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000428366706 1107898842 /nfs/dbraw/zinc/89/88/42/1107898842.db2.gz YWLBLOUMVNMRIY-VQTJNVASSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000428366706 1107898859 /nfs/dbraw/zinc/89/88/59/1107898859.db2.gz YWLBLOUMVNMRIY-VQTJNVASSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000428366706 1107898879 /nfs/dbraw/zinc/89/88/79/1107898879.db2.gz YWLBLOUMVNMRIY-VQTJNVASSA-N 2 2 353.510 4.032 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2C[C@H](c3ccccc3)C[C@H](C)C2)CC1 ZINC000531719249 1108111918 /nfs/dbraw/zinc/11/19/18/1108111918.db2.gz FKQBEOUQTHJCNO-CEWLAPEOSA-N 2 2 358.570 4.438 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)CC1 ZINC000531719251 1108112349 /nfs/dbraw/zinc/11/23/49/1108112349.db2.gz FKQBEOUQTHJCNO-HMXCVIKNSA-N 2 2 358.570 4.438 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(-c2ccccc2)n1C ZINC000453213636 1108282898 /nfs/dbraw/zinc/28/28/98/1108282898.db2.gz IWKVHGZWPJTBGZ-CTNGQTDRSA-N 2 2 374.532 4.260 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc(-c2ccccc2)n1C ZINC000453213636 1108282907 /nfs/dbraw/zinc/28/29/07/1108282907.db2.gz IWKVHGZWPJTBGZ-CTNGQTDRSA-N 2 2 374.532 4.260 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3cc(C)c(C)o3)CC2)cc1 ZINC000453324995 1108417817 /nfs/dbraw/zinc/41/78/17/1108417817.db2.gz LWODFPSWSITCAN-INIZCTEOSA-N 2 2 369.509 4.170 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000531984262 1108466642 /nfs/dbraw/zinc/46/66/42/1108466642.db2.gz VANGVBBOMIIFGF-JKSUJKDBSA-N 2 2 360.461 4.169 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1sccc1Br)CCC2 ZINC000531988241 1108472590 /nfs/dbraw/zinc/47/25/90/1108472590.db2.gz QGAQIHGHWUROIM-NEPJUHHUSA-N 2 2 354.317 4.244 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ncc(C(F)(F)F)cc1Cl ZINC000925167461 1108659519 /nfs/dbraw/zinc/65/95/19/1108659519.db2.gz CJTYKZQGNRFRQH-QWRGUYRKSA-N 2 2 358.795 4.179 20 0 FIADLP Cc1c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cnn1-c1cccc(Cl)c1 ZINC000532195069 1108701453 /nfs/dbraw/zinc/70/14/53/1108701453.db2.gz ZVINDDQOLCFAGM-OAHLLOKOSA-N 2 2 357.889 4.162 20 0 FIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000532194623 1108703511 /nfs/dbraw/zinc/70/35/11/1108703511.db2.gz BDEDHXCLEBQANR-KBPBESRZSA-N 2 2 356.297 4.416 20 0 FIADLP C[N@@H+]1CCCC12CCN(c1cc[nH+]c3c(Br)cccc13)CC2 ZINC000445592714 1108906735 /nfs/dbraw/zinc/90/67/35/1108906735.db2.gz MXBQHWGOFXFRDH-UHFFFAOYSA-N 2 2 360.299 4.062 20 0 FIADLP C[N@H+]1CCCC12CCN(c1cc[nH+]c3c(Br)cccc13)CC2 ZINC000445592714 1108906739 /nfs/dbraw/zinc/90/67/39/1108906739.db2.gz MXBQHWGOFXFRDH-UHFFFAOYSA-N 2 2 360.299 4.062 20 0 FIADLP Clc1cc(Cl)cc(OCC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000525120415 1109269645 /nfs/dbraw/zinc/26/96/45/1109269645.db2.gz VBQXUVILPNHOCR-UHFFFAOYSA-N 2 2 357.325 4.323 20 0 FIADLP Cc1c2cccc(Cl)c2sc1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000508569596 1109297227 /nfs/dbraw/zinc/29/72/27/1109297227.db2.gz ONGIDXGUASADQG-UHFFFAOYSA-N 2 2 366.958 4.142 20 0 FIADLP Cc1c2cccc(Cl)c2sc1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000508569596 1109297230 /nfs/dbraw/zinc/29/72/30/1109297230.db2.gz ONGIDXGUASADQG-UHFFFAOYSA-N 2 2 366.958 4.142 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000447095752 1109441647 /nfs/dbraw/zinc/44/16/47/1109441647.db2.gz ZHRWFXVATWPMKY-UHFFFAOYSA-N 2 2 368.506 4.020 20 0 FIADLP c1csc([C@H]2CCC[NH+]2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000429704933 1109449935 /nfs/dbraw/zinc/44/99/35/1109449935.db2.gz BXHFQUSCRBXNGD-WOJBJXKFSA-N 2 2 356.535 4.176 20 0 FIADLP c1csc([C@H]2CCC[NH+]2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000429704933 1109449938 /nfs/dbraw/zinc/44/99/38/1109449938.db2.gz BXHFQUSCRBXNGD-WOJBJXKFSA-N 2 2 356.535 4.176 20 0 FIADLP c1csc([C@H]2CCC[N@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000429704933 1109449943 /nfs/dbraw/zinc/44/99/43/1109449943.db2.gz BXHFQUSCRBXNGD-WOJBJXKFSA-N 2 2 356.535 4.176 20 0 FIADLP c1csc([C@H]2CCC[N@@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000429704933 1109449947 /nfs/dbraw/zinc/44/99/47/1109449947.db2.gz BXHFQUSCRBXNGD-WOJBJXKFSA-N 2 2 356.535 4.176 20 0 FIADLP CCCCOc1cc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)ccc1OC ZINC000525695309 1109485876 /nfs/dbraw/zinc/48/58/76/1109485876.db2.gz PBUKGPFSVVEUDZ-SFHVURJKSA-N 2 2 357.498 4.046 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccccc1OCc1ccccc1)CCC2 ZINC000525695210 1109485889 /nfs/dbraw/zinc/48/58/89/1109485889.db2.gz FGLZPTGLHFPAFU-OAQYLSRUSA-N 2 2 361.489 4.438 20 0 FIADLP C[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000447895984 1109670822 /nfs/dbraw/zinc/67/08/22/1109670822.db2.gz FJXUTMXDLYMCIC-FUHWJXTLSA-N 2 2 357.567 4.441 20 0 FIADLP C[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000447895984 1109670825 /nfs/dbraw/zinc/67/08/25/1109670825.db2.gz FJXUTMXDLYMCIC-FUHWJXTLSA-N 2 2 357.567 4.441 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448034529 1109701799 /nfs/dbraw/zinc/70/17/99/1109701799.db2.gz JIAGMCABNRREJS-FXAWDEMLSA-N 2 2 359.558 4.237 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448034529 1109701802 /nfs/dbraw/zinc/70/18/02/1109701802.db2.gz JIAGMCABNRREJS-FXAWDEMLSA-N 2 2 359.558 4.237 20 0 FIADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H](c3ccccn3)C3CCC3)CC2)cc1 ZINC000527769718 1109825165 /nfs/dbraw/zinc/82/51/65/1109825165.db2.gz BKHFLGQSODAYIW-HSZRJFAPSA-N 2 2 367.512 4.359 20 0 FIADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527949350 1109867066 /nfs/dbraw/zinc/86/70/66/1109867066.db2.gz NAWNJCGEARVBNH-DYESRHJHSA-N 2 2 372.557 4.274 20 0 FIADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527949350 1109867070 /nfs/dbraw/zinc/86/70/70/1109867070.db2.gz NAWNJCGEARVBNH-DYESRHJHSA-N 2 2 372.557 4.274 20 0 FIADLP CC(C)[NH+]1CCC([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449066455 1109965610 /nfs/dbraw/zinc/96/56/10/1109965610.db2.gz BWKZHJYDDMVWNE-UHFFFAOYSA-N 2 2 351.466 4.051 20 0 FIADLP c1cn(Cc2ccccc2)c(CC[NH2+]C2CCC(OC3CCCC3)CC2)[nH+]1 ZINC000449070410 1109972405 /nfs/dbraw/zinc/97/24/05/1109972405.db2.gz CLSSSNYSJQAQAQ-UHFFFAOYSA-N 2 2 367.537 4.334 20 0 FIADLP Fc1cccc(F)c1-c1ncc(C[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000449097336 1109975392 /nfs/dbraw/zinc/97/53/92/1109975392.db2.gz LFDRJKCORZCHHQ-UHFFFAOYSA-N 2 2 363.477 4.195 20 0 FIADLP C[C@@H]1CSC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000449125339 1109980848 /nfs/dbraw/zinc/98/08/48/1109980848.db2.gz JAWPHDQJZROJJL-VGOFRKELSA-N 2 2 363.530 4.440 20 0 FIADLP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)ccc1F ZINC000449152574 1109985969 /nfs/dbraw/zinc/98/59/69/1109985969.db2.gz GORJGLUANKHGGN-INIZCTEOSA-N 2 2 352.375 4.082 20 0 FIADLP Cc1ccc(N2CCC([NH2+][C@@H]3CCc4cc(F)c(F)c(F)c43)CC2)[nH+]c1 ZINC000449164436 1109990365 /nfs/dbraw/zinc/99/03/65/1109990365.db2.gz PSQVISLKTHXAOX-MRXNPFEDSA-N 2 2 361.411 4.053 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(-c3c(F)cccc3F)s1)CCC2 ZINC000449166902 1109991022 /nfs/dbraw/zinc/99/10/22/1109991022.db2.gz GXEKMQUEKTXMQT-CYBMUJFWSA-N 2 2 374.460 4.260 20 0 FIADLP FC(F)(F)c1ncccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000528494613 1110005825 /nfs/dbraw/zinc/00/58/25/1110005825.db2.gz QOFOLESRQOIAGQ-HNNXBMFYSA-N 2 2 364.415 4.013 20 0 FIADLP FC(F)(F)c1ncccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000528494613 1110005831 /nfs/dbraw/zinc/00/58/31/1110005831.db2.gz QOFOLESRQOIAGQ-HNNXBMFYSA-N 2 2 364.415 4.013 20 0 FIADLP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000449298256 1110020316 /nfs/dbraw/zinc/02/03/16/1110020316.db2.gz JBPMSWBUUHUWOM-FVKWTLKZSA-N 2 2 367.306 4.182 20 0 FIADLP Cc1ccc(C2(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)CC2)c(C)c1 ZINC000449381313 1110052811 /nfs/dbraw/zinc/05/28/11/1110052811.db2.gz YEBUHPCFZYYHNW-UHFFFAOYSA-N 2 2 354.460 4.341 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)s1 ZINC000449449228 1110073924 /nfs/dbraw/zinc/07/39/24/1110073924.db2.gz KWZLIQUWVGDQRZ-QGZVFWFLSA-N 2 2 353.894 4.238 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H](C(C)C)C3)CC2)cc1 ZINC000449526655 1110099507 /nfs/dbraw/zinc/09/95/07/1110099507.db2.gz XAQODYXQGRHXLF-REWPJTCUSA-N 2 2 371.569 4.414 20 0 FIADLP Cc1ccc([C@H]([NH3+])C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1 ZINC000262649194 1110239027 /nfs/dbraw/zinc/23/90/27/1110239027.db2.gz KXSWTBWEMSYXOQ-FQEVSTJZSA-N 2 2 362.477 4.002 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450393446 1110290707 /nfs/dbraw/zinc/29/07/07/1110290707.db2.gz PZBJOWJDPJVXIQ-CYBMUJFWSA-N 2 2 358.848 4.220 20 0 FIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccc(C)n2)cc1 ZINC000450650723 1110324507 /nfs/dbraw/zinc/32/45/07/1110324507.db2.gz NYIULMYFXVLIEJ-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccc(C)n2)cc1 ZINC000450650723 1110324508 /nfs/dbraw/zinc/32/45/08/1110324508.db2.gz NYIULMYFXVLIEJ-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP CSc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000538558254 1111192890 /nfs/dbraw/zinc/19/28/90/1111192890.db2.gz UXVVHJOFDYDPGJ-MAUKXSAKSA-N 2 2 356.539 4.117 20 0 FIADLP CC[N@H+](Cc1ncccc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538961735 1111360975 /nfs/dbraw/zinc/36/09/75/1111360975.db2.gz ZWSUSLDMHMWAGV-UHFFFAOYSA-N 2 2 367.541 4.103 20 0 FIADLP CC[N@@H+](Cc1ncccc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538961735 1111360978 /nfs/dbraw/zinc/36/09/78/1111360978.db2.gz ZWSUSLDMHMWAGV-UHFFFAOYSA-N 2 2 367.541 4.103 20 0 FIADLP COc1ccccc1[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C1CCCC1 ZINC000539202166 1111470374 /nfs/dbraw/zinc/47/03/74/1111470374.db2.gz HNYDDSVPMKPLPT-JOCHJYFZSA-N 2 2 374.569 4.406 20 0 FIADLP C[NH+](C)[C@@]1(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CCSC1 ZINC000539218488 1111479751 /nfs/dbraw/zinc/47/97/51/1111479751.db2.gz VYZUAAOGFQUABT-DLBZAZTESA-N 2 2 358.473 4.183 20 0 FIADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000539219320 1111481176 /nfs/dbraw/zinc/48/11/76/1111481176.db2.gz GSFNOQGOZWVLFS-SFHVURJKSA-N 2 2 362.477 4.219 20 0 FIADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000539219320 1111481180 /nfs/dbraw/zinc/48/11/80/1111481180.db2.gz GSFNOQGOZWVLFS-SFHVURJKSA-N 2 2 362.477 4.219 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000479473508 1112036567 /nfs/dbraw/zinc/03/65/67/1112036567.db2.gz AWSHRXAYJDITPN-USCONSEESA-N 2 2 353.485 4.098 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000479473508 1112036571 /nfs/dbraw/zinc/03/65/71/1112036571.db2.gz AWSHRXAYJDITPN-USCONSEESA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479484466 1112040700 /nfs/dbraw/zinc/04/07/00/1112040700.db2.gz RDEUQMBQJQNJEQ-WGPHAGCXSA-N 2 2 352.444 4.315 20 0 FIADLP Cc1c([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cnn1-c1cc(C)ccc1C ZINC000479518248 1112057641 /nfs/dbraw/zinc/05/76/41/1112057641.db2.gz QAQGOMTWSHBDSQ-PELRDEGISA-N 2 2 366.553 4.465 20 0 FIADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000479853457 1112162739 /nfs/dbraw/zinc/16/27/39/1112162739.db2.gz PYGYLSFKHMOQJE-AUSIDOKSSA-N 2 2 360.505 4.360 20 0 FIADLP C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480085845 1112271534 /nfs/dbraw/zinc/27/15/34/1112271534.db2.gz CXONFEDIYMVENO-WIYYLYMNSA-N 2 2 364.493 4.343 20 0 FIADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(Cl)cc1 ZINC000554267804 1112274990 /nfs/dbraw/zinc/27/49/90/1112274990.db2.gz GKBKBDPDBDHSRO-OAHLLOKOSA-N 2 2 358.917 4.439 20 0 FIADLP COc1cc([C@H](C)[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(F)cn1 ZINC000554345265 1112307809 /nfs/dbraw/zinc/30/78/09/1112307809.db2.gz JKQZRUWZEDMHTC-DVSDUFGPSA-N 2 2 371.500 4.037 20 0 FIADLP COc1cc([C@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(F)cn1 ZINC000554345265 1112307815 /nfs/dbraw/zinc/30/78/15/1112307815.db2.gz JKQZRUWZEDMHTC-DVSDUFGPSA-N 2 2 371.500 4.037 20 0 FIADLP COc1cccc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc2)c1 ZINC001168362939 1112427511 /nfs/dbraw/zinc/42/75/11/1112427511.db2.gz NJHMKRXKELJTHJ-QHCPKHFHSA-N 2 2 350.506 4.249 20 0 FIADLP COc1ccc(C[C@H](C)C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1F ZINC000554888140 1112546744 /nfs/dbraw/zinc/54/67/44/1112546744.db2.gz HIWJLFPWMIGPJL-KRWDZBQOSA-N 2 2 367.468 4.048 20 0 FIADLP Cc1c([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cnn1-c1ccc(F)cc1 ZINC000162858170 1112696084 /nfs/dbraw/zinc/69/60/84/1112696084.db2.gz UCPBOTBRCNXGHY-MRXNPFEDSA-N 2 2 367.472 4.258 20 0 FIADLP Cc1nocc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000555552985 1112921667 /nfs/dbraw/zinc/92/16/67/1112921667.db2.gz KQGYHDZBCUOYIH-QAPCUYQASA-N 2 2 367.415 4.175 20 0 FIADLP Cc1nocc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000555552985 1112921669 /nfs/dbraw/zinc/92/16/69/1112921669.db2.gz KQGYHDZBCUOYIH-QAPCUYQASA-N 2 2 367.415 4.175 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F)CCC2 ZINC000481648642 1113007010 /nfs/dbraw/zinc/00/70/10/1113007010.db2.gz ZGFXITXAOOLUBE-CZUORRHYSA-N 2 2 351.416 4.309 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000482075796 1113171952 /nfs/dbraw/zinc/17/19/52/1113171952.db2.gz KPFZKSMSWVPPIC-GBPOLFSSSA-N 2 2 367.512 4.357 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000482075796 1113171954 /nfs/dbraw/zinc/17/19/54/1113171954.db2.gz KPFZKSMSWVPPIC-GBPOLFSSSA-N 2 2 367.512 4.357 20 0 FIADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000482255543 1113211516 /nfs/dbraw/zinc/21/15/16/1113211516.db2.gz AFOQVACIZIQSFD-KRWDZBQOSA-N 2 2 369.513 4.154 20 0 FIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC000483130336 1113448839 /nfs/dbraw/zinc/44/88/39/1113448839.db2.gz NSLWNNISZUWJTM-CLCXKQKWSA-N 2 2 356.913 4.267 20 0 FIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC000483130336 1113448843 /nfs/dbraw/zinc/44/88/43/1113448843.db2.gz NSLWNNISZUWJTM-CLCXKQKWSA-N 2 2 356.913 4.267 20 0 FIADLP C[C@H]([NH2+]Cc1csc(-c2ccco2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486514877 1113585684 /nfs/dbraw/zinc/58/56/84/1113585684.db2.gz FKAZJYGKBUNHNM-WMZOPIPTSA-N 2 2 367.518 4.403 20 0 FIADLP C[C@H]([NH2+]Cc1csc(-c2ccco2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486514877 1113585686 /nfs/dbraw/zinc/58/56/86/1113585686.db2.gz FKAZJYGKBUNHNM-WMZOPIPTSA-N 2 2 367.518 4.403 20 0 FIADLP CC(C)[C@@H]1C[C@H]([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CS1 ZINC000488448061 1113933931 /nfs/dbraw/zinc/93/39/31/1113933931.db2.gz LKJMRDRCJUUMHI-IHPCNDPISA-N 2 2 362.583 4.006 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCOc3cc4c(cc31)CCCC4)CCC2 ZINC000489553958 1114131888 /nfs/dbraw/zinc/13/18/88/1114131888.db2.gz VIIZQPHAKNEECI-FPOVZHCZSA-N 2 2 365.521 4.451 20 0 FIADLP c1c(CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)[nH+]c2n1CCCC2 ZINC000489578202 1114134833 /nfs/dbraw/zinc/13/48/33/1114134833.db2.gz DWEHAOWWSNIQKP-OAQYLSRUSA-N 2 2 365.521 4.144 20 0 FIADLP c1cc(-c2nc3ccccc3s2)oc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490028292 1114203961 /nfs/dbraw/zinc/20/39/61/1114203961.db2.gz GTYNEZJOAFLDMR-HXUWFJFHSA-N 2 2 353.491 4.132 20 0 FIADLP c1cc(-c2nc3ccccc3s2)oc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490028292 1114203963 /nfs/dbraw/zinc/20/39/63/1114203963.db2.gz GTYNEZJOAFLDMR-HXUWFJFHSA-N 2 2 353.491 4.132 20 0 FIADLP CC(C)[C@H](CSc1ccccc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000491012215 1114364944 /nfs/dbraw/zinc/36/49/44/1114364944.db2.gz XKHQARYKCWAQNF-FQEVSTJZSA-N 2 2 362.583 4.038 20 0 FIADLP C[N@@H+](Cc1ccccc1OC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000571806194 1114539857 /nfs/dbraw/zinc/53/98/57/1114539857.db2.gz AFHRTIARXSWSBX-FQEVSTJZSA-N 2 2 350.506 4.182 20 0 FIADLP C[N@H+](Cc1ccccc1OC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000571806194 1114539860 /nfs/dbraw/zinc/53/98/60/1114539860.db2.gz AFHRTIARXSWSBX-FQEVSTJZSA-N 2 2 350.506 4.182 20 0 FIADLP C[NH+](Cc1ccccc1OC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571806194 1114539864 /nfs/dbraw/zinc/53/98/64/1114539864.db2.gz AFHRTIARXSWSBX-FQEVSTJZSA-N 2 2 350.506 4.182 20 0 FIADLP C[NH+](Cc1ccccc1OC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571806194 1114539867 /nfs/dbraw/zinc/53/98/67/1114539867.db2.gz AFHRTIARXSWSBX-FQEVSTJZSA-N 2 2 350.506 4.182 20 0 FIADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000572047554 1114595710 /nfs/dbraw/zinc/59/57/10/1114595710.db2.gz MOKOUDXJSGNSGZ-AWEZNQCLSA-N 2 2 364.474 4.279 20 0 FIADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000572047554 1114595713 /nfs/dbraw/zinc/59/57/13/1114595713.db2.gz MOKOUDXJSGNSGZ-AWEZNQCLSA-N 2 2 364.474 4.279 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@@H]1c1ccccc1 ZINC000574624092 1115429675 /nfs/dbraw/zinc/42/96/75/1115429675.db2.gz HOQPEPGMJRQEHT-JTHBVZDNSA-N 3 2 355.570 4.209 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@@H]1c1ccccc1 ZINC000574624092 1115429678 /nfs/dbraw/zinc/42/96/78/1115429678.db2.gz HOQPEPGMJRQEHT-JTHBVZDNSA-N 3 2 355.570 4.209 20 0 FIADLP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000595022179 1115504624 /nfs/dbraw/zinc/50/46/24/1115504624.db2.gz KFHBQQRGRXOYTG-AZUAARDMSA-N 2 2 371.525 4.199 20 0 FIADLP Brc1cccc(CCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000595626856 1115551550 /nfs/dbraw/zinc/55/15/50/1115551550.db2.gz ZKZLCDZZCJLRGW-UHFFFAOYSA-N 2 2 370.294 4.357 20 0 FIADLP COc1cccc2c1CCC[C@H]2[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000669615386 1115668420 /nfs/dbraw/zinc/66/84/20/1115668420.db2.gz RCIJBMGVZGOTTJ-NHCUHLMSSA-N 2 2 361.489 4.380 20 0 FIADLP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000669694801 1115810609 /nfs/dbraw/zinc/81/06/09/1115810609.db2.gz FNMWOQOZMMCEKG-LJQANCHMSA-N 2 2 353.510 4.095 20 0 FIADLP Cc1cc(C)cc(OCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000669694801 1115810611 /nfs/dbraw/zinc/81/06/11/1115810611.db2.gz FNMWOQOZMMCEKG-LJQANCHMSA-N 2 2 353.510 4.095 20 0 FIADLP C[C@H](C[NH2+]Cc1ccc(OCc2ccccc2F)cc1)Cn1cc[nH+]c1 ZINC000062254392 1115908068 /nfs/dbraw/zinc/90/80/68/1115908068.db2.gz UFRLVGYAQPPSEP-QGZVFWFLSA-N 2 2 353.441 4.027 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC[N@@H+]1C ZINC000608061394 1116079925 /nfs/dbraw/zinc/07/99/25/1116079925.db2.gz SFFAMVSUWCDSLA-CZUORRHYSA-N 2 2 363.299 4.281 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC[N@H+]1C ZINC000608061394 1116079927 /nfs/dbraw/zinc/07/99/27/1116079927.db2.gz SFFAMVSUWCDSLA-CZUORRHYSA-N 2 2 363.299 4.281 20 0 FIADLP FC(F)(F)COc1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000534128211 1116162692 /nfs/dbraw/zinc/16/26/92/1116162692.db2.gz HLKUWXCOOVRYNW-UHFFFAOYSA-N 2 2 365.399 4.099 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000534349819 1116187741 /nfs/dbraw/zinc/18/77/41/1116187741.db2.gz NDYZOKANENIHCO-RBBKRZOGSA-N 2 2 366.553 4.018 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000534349819 1116187744 /nfs/dbraw/zinc/18/77/44/1116187744.db2.gz NDYZOKANENIHCO-RBBKRZOGSA-N 2 2 366.553 4.018 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000534349819 1116187745 /nfs/dbraw/zinc/18/77/45/1116187745.db2.gz NDYZOKANENIHCO-RBBKRZOGSA-N 2 2 366.553 4.018 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000534349819 1116187747 /nfs/dbraw/zinc/18/77/47/1116187747.db2.gz NDYZOKANENIHCO-RBBKRZOGSA-N 2 2 366.553 4.018 20 0 FIADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534863615 1116246625 /nfs/dbraw/zinc/24/66/25/1116246625.db2.gz LTBDVXHIYMSZRI-KRWDZBQOSA-N 2 2 374.488 4.138 20 0 FIADLP CC(C[NH+]1CC=C(C(F)(F)F)CC1)C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000535281373 1116289972 /nfs/dbraw/zinc/28/99/72/1116289972.db2.gz XPWHTWZIUNBRIX-UHFFFAOYSA-N 2 2 356.354 4.011 20 0 FIADLP CC(C[NH+]1CC=C(C(F)(F)F)CC1)C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000535281373 1116289973 /nfs/dbraw/zinc/28/99/73/1116289973.db2.gz XPWHTWZIUNBRIX-UHFFFAOYSA-N 2 2 356.354 4.011 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CSc3ccc(Br)cc32)CC1(C)C ZINC000623509783 1116308260 /nfs/dbraw/zinc/30/82/60/1116308260.db2.gz RWOKYZUEERRRTP-TZMCWYRMSA-N 2 2 355.345 4.058 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CSc3ccc(Br)cc32)CC1(C)C ZINC000623509783 1116308262 /nfs/dbraw/zinc/30/82/62/1116308262.db2.gz RWOKYZUEERRRTP-TZMCWYRMSA-N 2 2 355.345 4.058 20 0 FIADLP CCO[C@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1(CC)CC ZINC000539690302 1116366116 /nfs/dbraw/zinc/36/61/16/1116366116.db2.gz WYRURGBCKLBYEP-UXHICEINSA-N 2 2 374.573 4.008 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCCc4sccc43)[nH+]c2)CC1 ZINC000539689742 1116366204 /nfs/dbraw/zinc/36/62/04/1116366204.db2.gz QFCSDJZTUKUMKF-SFHVURJKSA-N 2 2 356.539 4.163 20 0 FIADLP CC[N@H+](C/C=C/c1ccccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539817732 1116384555 /nfs/dbraw/zinc/38/45/55/1116384555.db2.gz MFJMEHYZRREPRX-CSKARUKUSA-N 2 2 365.521 4.342 20 0 FIADLP CC[N@@H+](C/C=C/c1ccccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539817732 1116384556 /nfs/dbraw/zinc/38/45/56/1116384556.db2.gz MFJMEHYZRREPRX-CSKARUKUSA-N 2 2 365.521 4.342 20 0 FIADLP CCCOc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1OCC ZINC000539822584 1116385942 /nfs/dbraw/zinc/38/59/42/1116385942.db2.gz ORJHWTLQWJSZCT-FQEVSTJZSA-N 2 2 360.542 4.324 20 0 FIADLP CCCOc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1OCC ZINC000539822584 1116385944 /nfs/dbraw/zinc/38/59/44/1116385944.db2.gz ORJHWTLQWJSZCT-FQEVSTJZSA-N 2 2 360.542 4.324 20 0 FIADLP CC[N@H+](Cc1cccnc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000539829904 1116388095 /nfs/dbraw/zinc/38/80/95/1116388095.db2.gz ZNXCCSGDCWAWRH-UHFFFAOYSA-N 2 2 367.541 4.103 20 0 FIADLP CC[N@@H+](Cc1cccnc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000539829904 1116388097 /nfs/dbraw/zinc/38/80/97/1116388097.db2.gz ZNXCCSGDCWAWRH-UHFFFAOYSA-N 2 2 367.541 4.103 20 0 FIADLP Cc1ccc2ncc(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)n2c1 ZINC000539832777 1116388262 /nfs/dbraw/zinc/38/82/62/1116388262.db2.gz ZKWLSZHBAPDPDY-CTNGQTDRSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1ccc2ncc(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)n2c1 ZINC000539832777 1116388265 /nfs/dbraw/zinc/38/82/65/1116388265.db2.gz ZKWLSZHBAPDPDY-CTNGQTDRSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1ccc2ncc(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)n2c1 ZINC000539832777 1116388267 /nfs/dbraw/zinc/38/82/67/1116388267.db2.gz ZKWLSZHBAPDPDY-CTNGQTDRSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1ccc2ncc(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)n2c1 ZINC000539832777 1116388269 /nfs/dbraw/zinc/38/82/69/1116388269.db2.gz ZKWLSZHBAPDPDY-CTNGQTDRSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cc(N2CCC(C[NH+](C)C)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000462779495 1117763570 /nfs/dbraw/zinc/76/35/70/1117763570.db2.gz UOHLJHHRQLRZIT-UHFFFAOYSA-N 2 2 367.415 4.220 20 0 FIADLP C[C@@H]1C[C@H](NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463083731 1117965143 /nfs/dbraw/zinc/96/51/43/1117965143.db2.gz LTTKEFGNQBZSRI-SXSPYAJSSA-N 2 2 369.528 4.071 20 0 FIADLP C[C@@H]1C[C@H](NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463083731 1117965147 /nfs/dbraw/zinc/96/51/47/1117965147.db2.gz LTTKEFGNQBZSRI-SXSPYAJSSA-N 2 2 369.528 4.071 20 0 FIADLP CC(C)[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000540302843 1117976433 /nfs/dbraw/zinc/97/64/33/1117976433.db2.gz RQQVNTHHLQAESZ-IBGZPJMESA-N 2 2 354.454 4.107 20 0 FIADLP CC(C)[C@@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[NH+]1CCCC1 ZINC000463130706 1117977289 /nfs/dbraw/zinc/97/72/89/1117977289.db2.gz HNWPLWNJNNUGRI-OAQYLSRUSA-N 2 2 363.977 4.014 20 0 FIADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCOc4ccc(F)cc43)CC2)cc1 ZINC000463157128 1117995604 /nfs/dbraw/zinc/99/56/04/1117995604.db2.gz WUCFSGQANBVLBZ-NRFANRHFSA-N 2 2 372.459 4.085 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000540396009 1118040032 /nfs/dbraw/zinc/04/00/32/1118040032.db2.gz DMKGXILISBVVOC-CTUHWIOQSA-N 2 2 363.549 4.176 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000540396009 1118040038 /nfs/dbraw/zinc/04/00/38/1118040038.db2.gz DMKGXILISBVVOC-CTUHWIOQSA-N 2 2 363.549 4.176 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(Br)c1 ZINC000540598464 1118140669 /nfs/dbraw/zinc/14/06/69/1118140669.db2.gz LUAQWLPJMAYCLT-ZDUSSCGKSA-N 2 2 367.331 4.125 20 0 FIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H](CC3CC3)c3ccccc3)[nH+]c2)C1 ZINC000540757821 1118226074 /nfs/dbraw/zinc/22/60/74/1118226074.db2.gz DGGBQLGODINJNG-LEWJYISDSA-N 2 2 350.510 4.175 20 0 FIADLP CC(C)[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1 ZINC000540790730 1118248470 /nfs/dbraw/zinc/24/84/70/1118248470.db2.gz QVBYUQLOBFGKSD-QFIPXVFZSA-N 2 2 352.526 4.421 20 0 FIADLP CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cc(F)ccc1F ZINC000540790005 1118249109 /nfs/dbraw/zinc/24/91/09/1118249109.db2.gz AGAOTVWAQZYPGN-HXUWFJFHSA-N 2 2 374.479 4.453 20 0 FIADLP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)NC(=O)OC(C)(C)C ZINC000312222399 1118322924 /nfs/dbraw/zinc/32/29/24/1118322924.db2.gz ZTOUBYCJHOIVAH-APWZRJJASA-N 2 2 372.513 4.072 20 0 FIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCc2ccccc2Br)C1 ZINC000541348548 1118482828 /nfs/dbraw/zinc/48/28/28/1118482828.db2.gz GGTMZFRTSSGGAU-INIZCTEOSA-N 2 2 353.348 4.045 20 0 FIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2ccccc2Br)C1 ZINC000541348548 1118482830 /nfs/dbraw/zinc/48/28/30/1118482830.db2.gz GGTMZFRTSSGGAU-INIZCTEOSA-N 2 2 353.348 4.045 20 0 FIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCc2ccccc2Br)C1 ZINC000541348548 1118482832 /nfs/dbraw/zinc/48/28/32/1118482832.db2.gz GGTMZFRTSSGGAU-INIZCTEOSA-N 2 2 353.348 4.045 20 0 FIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2ccccc2Br)C1 ZINC000541348548 1118482834 /nfs/dbraw/zinc/48/28/34/1118482834.db2.gz GGTMZFRTSSGGAU-INIZCTEOSA-N 2 2 353.348 4.045 20 0 FIADLP Clc1cccc(OCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1Cl ZINC000541391490 1118499984 /nfs/dbraw/zinc/49/99/84/1118499984.db2.gz XORVSTGNARLBAU-UHFFFAOYSA-N 2 2 368.289 4.409 20 0 FIADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541546859 1118551167 /nfs/dbraw/zinc/55/11/67/1118551167.db2.gz WUKKRMBEYIBVEY-GAJHUEQPSA-N 2 2 363.480 4.395 20 0 FIADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541546859 1118551168 /nfs/dbraw/zinc/55/11/68/1118551168.db2.gz WUKKRMBEYIBVEY-GAJHUEQPSA-N 2 2 363.480 4.395 20 0 FIADLP COc1cc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)ccc1SC ZINC000541537237 1118554331 /nfs/dbraw/zinc/55/43/31/1118554331.db2.gz BAQWZLCWWWIOLG-UHFFFAOYSA-N 2 2 359.520 4.296 20 0 FIADLP COc1cc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)ccc1SC ZINC000541537237 1118554332 /nfs/dbraw/zinc/55/43/32/1118554332.db2.gz BAQWZLCWWWIOLG-UHFFFAOYSA-N 2 2 359.520 4.296 20 0 FIADLP CC[N@H+](CCCOc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804305 1118699312 /nfs/dbraw/zinc/69/93/12/1118699312.db2.gz FFCBVHHKAGUKCS-UHFFFAOYSA-N 2 2 367.537 4.397 20 0 FIADLP CC[N@@H+](CCCOc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804305 1118699315 /nfs/dbraw/zinc/69/93/15/1118699315.db2.gz FFCBVHHKAGUKCS-UHFFFAOYSA-N 2 2 367.537 4.397 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCOc3ccccc3Cl)C2)CC1 ZINC000303028844 1118771150 /nfs/dbraw/zinc/77/11/50/1118771150.db2.gz PEJSDJXHCMSPMS-GOSISDBHSA-N 2 2 350.934 4.163 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCOc3ccccc3Cl)C2)CC1 ZINC000303028844 1118771152 /nfs/dbraw/zinc/77/11/52/1118771152.db2.gz PEJSDJXHCMSPMS-GOSISDBHSA-N 2 2 350.934 4.163 20 0 FIADLP CC[N@H+](CCc1cccc(F)c1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000542279712 1118879782 /nfs/dbraw/zinc/87/97/82/1118879782.db2.gz AZIZZHFVGDSFDQ-UHFFFAOYSA-N 2 2 359.464 4.141 20 0 FIADLP CC[N@@H+](CCc1cccc(F)c1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000542279712 1118879789 /nfs/dbraw/zinc/87/97/89/1118879789.db2.gz AZIZZHFVGDSFDQ-UHFFFAOYSA-N 2 2 359.464 4.141 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151712971 1118967083 /nfs/dbraw/zinc/96/70/83/1118967083.db2.gz OBPDBNLXVHDIAP-ZWKOTPCHSA-N 2 2 374.488 4.411 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2ccccc2Cl)C1 ZINC000303586351 1118968416 /nfs/dbraw/zinc/96/84/16/1118968416.db2.gz LIYYHEPQEFOPPX-ZWKOTPCHSA-N 2 2 350.934 4.305 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2ccccc2Cl)C1 ZINC000303586351 1118968420 /nfs/dbraw/zinc/96/84/20/1118968420.db2.gz LIYYHEPQEFOPPX-ZWKOTPCHSA-N 2 2 350.934 4.305 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000303586351 1118968421 /nfs/dbraw/zinc/96/84/21/1118968421.db2.gz LIYYHEPQEFOPPX-ZWKOTPCHSA-N 2 2 350.934 4.305 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000303586351 1118968425 /nfs/dbraw/zinc/96/84/25/1118968425.db2.gz LIYYHEPQEFOPPX-ZWKOTPCHSA-N 2 2 350.934 4.305 20 0 FIADLP C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311214390 1119361993 /nfs/dbraw/zinc/36/19/93/1119361993.db2.gz MKZVWNARAGSGFR-AEFFLSMTSA-N 2 2 357.567 4.441 20 0 FIADLP C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311214390 1119361999 /nfs/dbraw/zinc/36/19/99/1119361999.db2.gz MKZVWNARAGSGFR-AEFFLSMTSA-N 2 2 357.567 4.441 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000178216268 1119377601 /nfs/dbraw/zinc/37/76/01/1119377601.db2.gz KOSIWDIGSRAVOA-LOTPSLMQSA-N 2 2 369.475 4.250 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000178216268 1119377604 /nfs/dbraw/zinc/37/76/04/1119377604.db2.gz KOSIWDIGSRAVOA-LOTPSLMQSA-N 2 2 369.475 4.250 20 0 FIADLP COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311517775 1119377632 /nfs/dbraw/zinc/37/76/32/1119377632.db2.gz IQJVGQZRURYLHE-LNLFQRSKSA-N 2 2 356.485 4.396 20 0 FIADLP COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311517775 1119377635 /nfs/dbraw/zinc/37/76/35/1119377635.db2.gz IQJVGQZRURYLHE-LNLFQRSKSA-N 2 2 356.485 4.396 20 0 FIADLP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4nc5ccccc5s4)C[C@H]3C2)cc1 ZINC000312100210 1119399826 /nfs/dbraw/zinc/39/98/26/1119399826.db2.gz HBWVHDLLWQGXJW-RTBURBONSA-N 2 2 363.530 4.250 20 0 FIADLP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4nc5ccccc5s4)C[C@H]3C2)cc1 ZINC000312100210 1119399829 /nfs/dbraw/zinc/39/98/29/1119399829.db2.gz HBWVHDLLWQGXJW-RTBURBONSA-N 2 2 363.530 4.250 20 0 FIADLP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4nc5ccccc5s4)C[C@H]3C2)cc1 ZINC000312100210 1119399832 /nfs/dbraw/zinc/39/98/32/1119399832.db2.gz HBWVHDLLWQGXJW-RTBURBONSA-N 2 2 363.530 4.250 20 0 FIADLP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4nc5ccccc5s4)C[C@H]3C2)cc1 ZINC000312100210 1119399835 /nfs/dbraw/zinc/39/98/35/1119399835.db2.gz HBWVHDLLWQGXJW-RTBURBONSA-N 2 2 363.530 4.250 20 0 FIADLP Fc1cc(F)cc(Oc2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cc2)c1 ZINC000494432681 1119858283 /nfs/dbraw/zinc/85/82/83/1119858283.db2.gz UMUOVVTUSPNHQH-KRWDZBQOSA-N 2 2 355.388 4.058 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494481467 1119876354 /nfs/dbraw/zinc/87/63/54/1119876354.db2.gz AIJQKRHIJASPAB-LEWJYISDSA-N 2 2 367.880 4.454 20 0 FIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2nccn2-c2ccccc2)[C@@H]1c1cccs1 ZINC000191189908 1119964014 /nfs/dbraw/zinc/96/40/14/1119964014.db2.gz FGGWUTLCUCZJIY-DYESRHJHSA-N 2 2 366.534 4.107 20 0 FIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2nccn2-c2ccccc2)[C@@H]1c1cccs1 ZINC000191189908 1119964016 /nfs/dbraw/zinc/96/40/16/1119964016.db2.gz FGGWUTLCUCZJIY-DYESRHJHSA-N 2 2 366.534 4.107 20 0 FIADLP CC(C)[C@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)Cc1ccccc1 ZINC000191603810 1119986437 /nfs/dbraw/zinc/98/64/37/1119986437.db2.gz HTKBMPRXSLZQPR-QFIPXVFZSA-N 2 2 351.538 4.151 20 0 FIADLP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1OC ZINC000192150630 1120030252 /nfs/dbraw/zinc/03/02/52/1120030252.db2.gz LIISBKPDGOGJGE-QGZVFWFLSA-N 2 2 365.477 4.357 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000494937445 1120389628 /nfs/dbraw/zinc/38/96/28/1120389628.db2.gz MUHVRFKATJCWPE-GUYCJALGSA-N 2 2 366.431 4.010 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000494937445 1120389634 /nfs/dbraw/zinc/38/96/34/1120389634.db2.gz MUHVRFKATJCWPE-GUYCJALGSA-N 2 2 366.431 4.010 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000494937445 1120389640 /nfs/dbraw/zinc/38/96/40/1120389640.db2.gz MUHVRFKATJCWPE-GUYCJALGSA-N 2 2 366.431 4.010 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000494937445 1120389647 /nfs/dbraw/zinc/38/96/47/1120389647.db2.gz MUHVRFKATJCWPE-GUYCJALGSA-N 2 2 366.431 4.010 20 0 FIADLP CCC[NH+]1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000227777307 1120390609 /nfs/dbraw/zinc/39/06/09/1120390609.db2.gz AUQWZKINVHWAKY-UHFFFAOYSA-N 2 2 351.741 4.128 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCCC3(C)C)CC2)cc1 ZINC000648751264 1120531172 /nfs/dbraw/zinc/53/11/72/1120531172.db2.gz AYWQADGHJHTKGS-NRFANRHFSA-N 2 2 357.542 4.168 20 0 FIADLP CC[NH+](CC)[C@H](CNC1CC[NH+](C(C)C)CC1)c1ccccc1Cl ZINC000236888952 1120971269 /nfs/dbraw/zinc/97/12/69/1120971269.db2.gz UPDXYVVQIKNCMF-HXUWFJFHSA-N 2 2 351.966 4.185 20 0 FIADLP Cc1cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000043531911 1121199600 /nfs/dbraw/zinc/19/96/00/1121199600.db2.gz QNKJQJXSIROPSE-UHFFFAOYSA-N 2 2 358.489 4.005 20 0 FIADLP Clc1cccc2c(CC[NH2+]C3CCN(c4cccc[nH+]4)CC3)c[nH]c21 ZINC000624331455 1121408318 /nfs/dbraw/zinc/40/83/18/1121408318.db2.gz AIBDMYVJFPZHCS-UHFFFAOYSA-N 2 2 354.885 4.017 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000671717559 1121439528 /nfs/dbraw/zinc/43/95/28/1121439528.db2.gz DKXKIOGZZMHJLD-YPQKKHBXSA-N 2 2 357.448 4.188 20 0 FIADLP C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cn1cc[nH+]c1 ZINC000062254607 1121616686 /nfs/dbraw/zinc/61/66/86/1121616686.db2.gz YKGKYRBKWKLWIA-IBGZPJMESA-N 2 2 371.488 4.162 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000125934068 1121873923 /nfs/dbraw/zinc/87/39/23/1121873923.db2.gz UDEHUGLGVOUBEN-OFNKIYASSA-N 2 2 363.549 4.394 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000125934068 1121873927 /nfs/dbraw/zinc/87/39/27/1121873927.db2.gz UDEHUGLGVOUBEN-OFNKIYASSA-N 2 2 363.549 4.394 20 0 FIADLP C[C@@H](C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc(F)cc1 ZINC000127960120 1122168393 /nfs/dbraw/zinc/16/83/93/1122168393.db2.gz ASDOHDZSGJDCSJ-OALUTQOASA-N 2 2 370.512 4.419 20 0 FIADLP COc1ccc([C@@H]2C[C@@H](n3c[nH+]cc3-c3cccc(C[NH3+])c3)CCO2)cc1 ZINC001168624132 1122182441 /nfs/dbraw/zinc/18/24/41/1122182441.db2.gz MLHSJIAXAXWJRW-UGKGYDQZSA-N 2 2 363.461 4.110 20 0 FIADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000556387253 1122859821 /nfs/dbraw/zinc/85/98/21/1122859821.db2.gz LKIVBBPCPWIPKE-UHFFFAOYSA-N 2 2 371.488 4.024 20 0 FIADLP COCCc1cc[nH+]c(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000556911507 1123212110 /nfs/dbraw/zinc/21/21/10/1123212110.db2.gz GLEYPUMWJOJLLS-UHFFFAOYSA-N 2 2 359.901 4.000 20 0 FIADLP C[N@H+](Cc1cc(F)cc2cccnc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322084 1123350926 /nfs/dbraw/zinc/35/09/26/1123350926.db2.gz TXFMFTGXTFJSIC-UHFFFAOYSA-N 2 2 363.480 4.470 20 0 FIADLP C[N@@H+](Cc1cc(F)cc2cccnc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322084 1123350931 /nfs/dbraw/zinc/35/09/31/1123350931.db2.gz TXFMFTGXTFJSIC-UHFFFAOYSA-N 2 2 363.480 4.470 20 0 FIADLP Cc1ccc2[nH]c(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nc2c1 ZINC000499250154 1123358168 /nfs/dbraw/zinc/35/81/68/1123358168.db2.gz LRCCADVDPCCSNV-ACDBMABISA-N 2 2 360.505 4.157 20 0 FIADLP Cc1ccc2[nH]c(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc2c1 ZINC000499250154 1123358172 /nfs/dbraw/zinc/35/81/72/1123358172.db2.gz LRCCADVDPCCSNV-ACDBMABISA-N 2 2 360.505 4.157 20 0 FIADLP Cc1cc(NC[C@H](c2cccc(F)c2)[NH+]2CCOCC2)c2ccccc2[nH+]1 ZINC000195712446 1124012914 /nfs/dbraw/zinc/01/29/14/1124012914.db2.gz XPMOOPUZWXOVRR-JOCHJYFZSA-N 2 2 365.452 4.168 20 0 FIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000081584816 1124062854 /nfs/dbraw/zinc/06/28/54/1124062854.db2.gz YZPIXLJYKMQEKJ-FQEVSTJZSA-N 2 2 365.521 4.103 20 0 FIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000081584816 1124062861 /nfs/dbraw/zinc/06/28/61/1124062861.db2.gz YZPIXLJYKMQEKJ-FQEVSTJZSA-N 2 2 365.521 4.103 20 0 FIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000081584816 1124062865 /nfs/dbraw/zinc/06/28/65/1124062865.db2.gz YZPIXLJYKMQEKJ-FQEVSTJZSA-N 2 2 365.521 4.103 20 0 FIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000081584816 1124062871 /nfs/dbraw/zinc/06/28/71/1124062871.db2.gz YZPIXLJYKMQEKJ-FQEVSTJZSA-N 2 2 365.521 4.103 20 0 FIADLP Cc1cc(C)cc([C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)c2cccnc2)c1 ZINC000765859934 1124291794 /nfs/dbraw/zinc/29/17/94/1124291794.db2.gz MKLBABMLIWKCFT-QHCPKHFHSA-N 2 2 351.538 4.498 20 0 FIADLP Cc1ccc(OCCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246862870 1124569137 /nfs/dbraw/zinc/56/91/37/1124569137.db2.gz DAOIIMBDXOYSAZ-NFBKMPQASA-N 2 2 367.537 4.049 20 0 FIADLP Cc1ccc(OCCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246862870 1124569144 /nfs/dbraw/zinc/56/91/44/1124569144.db2.gz DAOIIMBDXOYSAZ-NFBKMPQASA-N 2 2 367.537 4.049 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000247152865 1124594528 /nfs/dbraw/zinc/59/45/28/1124594528.db2.gz SYHWZBSASMUKBD-KONPQCLYSA-N 2 2 355.448 4.003 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000247152865 1124594542 /nfs/dbraw/zinc/59/45/42/1124594542.db2.gz SYHWZBSASMUKBD-KONPQCLYSA-N 2 2 355.448 4.003 20 0 FIADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000921775762 1124594715 /nfs/dbraw/zinc/59/47/15/1124594715.db2.gz ZNHVIINUZVGTQO-UHFFFAOYSA-N 2 2 367.493 4.487 20 0 FIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000921775762 1124594730 /nfs/dbraw/zinc/59/47/30/1124594730.db2.gz ZNHVIINUZVGTQO-UHFFFAOYSA-N 2 2 367.493 4.487 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000247160615 1124596860 /nfs/dbraw/zinc/59/68/60/1124596860.db2.gz UDEHUGLGVOUBEN-NFBKMPQASA-N 2 2 363.549 4.394 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000247160615 1124596863 /nfs/dbraw/zinc/59/68/63/1124596863.db2.gz UDEHUGLGVOUBEN-NFBKMPQASA-N 2 2 363.549 4.394 20 0 FIADLP Cc1cc(C)c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000247219724 1124600591 /nfs/dbraw/zinc/60/05/91/1124600591.db2.gz XPCQUHIHMISABM-OFNKIYASSA-N 2 2 351.538 4.050 20 0 FIADLP Cc1cc(C)c(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000247219724 1124600593 /nfs/dbraw/zinc/60/05/93/1124600593.db2.gz XPCQUHIHMISABM-OFNKIYASSA-N 2 2 351.538 4.050 20 0 FIADLP COc1ccc([C@H]2C[C@@H]([N@H+](C3CCCC3)C3CC[NH+](C)CC3)CCO2)cc1 ZINC001168670440 1124701897 /nfs/dbraw/zinc/70/18/97/1124701897.db2.gz ALGQHWLHQMTYCK-JTHBVZDNSA-N 2 2 372.553 4.254 20 0 FIADLP COc1ccc([C@H]2C[C@@H]([N@@H+](C3CCCC3)C3CC[NH+](C)CC3)CCO2)cc1 ZINC001168670440 1124701904 /nfs/dbraw/zinc/70/19/04/1124701904.db2.gz ALGQHWLHQMTYCK-JTHBVZDNSA-N 2 2 372.553 4.254 20 0 FIADLP C[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000089667205 1124922940 /nfs/dbraw/zinc/92/29/40/1124922940.db2.gz RTTXCQSQICLDOG-OAHLLOKOSA-N 2 2 352.507 4.101 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(Cl)ccc1Cl ZINC000090525043 1125001165 /nfs/dbraw/zinc/00/11/65/1125001165.db2.gz SWWJWLVXDAUQCM-AGRHKRQWSA-N 2 2 371.352 4.412 20 0 FIADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000090667344 1125013643 /nfs/dbraw/zinc/01/36/43/1125013643.db2.gz WXXFCZQKACHDMM-HXOBKFHXSA-N 2 2 365.521 4.283 20 0 FIADLP CCO[C@@H](C)c1nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cs1 ZINC000076719814 1125029598 /nfs/dbraw/zinc/02/95/98/1125029598.db2.gz FGPWWHFHKKBUEU-KRWDZBQOSA-N 2 2 365.587 4.329 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1nc2ccccc2n1C ZINC000091313600 1125064599 /nfs/dbraw/zinc/06/45/99/1125064599.db2.gz VZLQURSBNBJICV-SJORKVTESA-N 2 2 368.550 4.198 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1nc2ccccc2n1C ZINC000091313600 1125064605 /nfs/dbraw/zinc/06/46/05/1125064605.db2.gz VZLQURSBNBJICV-SJORKVTESA-N 2 2 368.550 4.198 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1nc2ccccc2n1C ZINC000091368159 1125068211 /nfs/dbraw/zinc/06/82/11/1125068211.db2.gz TUBGUUULHLXZGT-CMKODMSKSA-N 2 2 362.521 4.277 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1nc2ccccc2n1C ZINC000091368159 1125068220 /nfs/dbraw/zinc/06/82/20/1125068220.db2.gz TUBGUUULHLXZGT-CMKODMSKSA-N 2 2 362.521 4.277 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nccn1-c1ccccc1 ZINC000672553120 1125168183 /nfs/dbraw/zinc/16/81/83/1125168183.db2.gz VFWKPGAIHAJUOR-ONTIZHBOSA-N 2 2 374.532 4.434 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccn1-c1ccccc1 ZINC000672553120 1125168186 /nfs/dbraw/zinc/16/81/86/1125168186.db2.gz VFWKPGAIHAJUOR-ONTIZHBOSA-N 2 2 374.532 4.434 20 0 FIADLP Clc1cccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1Cl ZINC000069710737 568097149 /nfs/dbraw/zinc/09/71/49/568097149.db2.gz ZXQOBWIVILWCEK-UHFFFAOYSA-N 2 2 350.293 4.143 20 0 FIADLP CN(C)[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccsc1 ZINC000563119849 568224615 /nfs/dbraw/zinc/22/46/15/568224615.db2.gz JPUMPQLUMXKNFC-SFTDATJTSA-N 2 2 369.578 4.138 20 0 FIADLP CN(C)[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccsc1 ZINC000563119849 568224616 /nfs/dbraw/zinc/22/46/16/568224616.db2.gz JPUMPQLUMXKNFC-SFTDATJTSA-N 2 2 369.578 4.138 20 0 FIADLP CC(C)n1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000563119879 568224700 /nfs/dbraw/zinc/22/47/00/568224700.db2.gz LGSZXLZLMPKUCJ-RXVVDRJESA-N 2 2 352.526 4.312 20 0 FIADLP CC(C)n1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000563119879 568224701 /nfs/dbraw/zinc/22/47/01/568224701.db2.gz LGSZXLZLMPKUCJ-RXVVDRJESA-N 2 2 352.526 4.312 20 0 FIADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000390852021 568346996 /nfs/dbraw/zinc/34/69/96/568346996.db2.gz IDGQTDQZBDGEEG-VXKWHMMOSA-N 2 2 356.485 4.158 20 0 FIADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000390852021 568346997 /nfs/dbraw/zinc/34/69/97/568346997.db2.gz IDGQTDQZBDGEEG-VXKWHMMOSA-N 2 2 356.485 4.158 20 0 FIADLP Cc1ccc2cc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2c1 ZINC001164857813 720958954 /nfs/dbraw/zinc/95/89/54/720958954.db2.gz HJTQYMYHBIHXMU-QGZVFWFLSA-N 2 2 363.509 4.161 20 0 FIADLP Cc1ccc2cc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2c1 ZINC001164857813 720958963 /nfs/dbraw/zinc/95/89/63/720958963.db2.gz HJTQYMYHBIHXMU-QGZVFWFLSA-N 2 2 363.509 4.161 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)c(Br)c1 ZINC000152744877 1125640874 /nfs/dbraw/zinc/64/08/74/1125640874.db2.gz XWGNTYXWHGXIBZ-GFCCVEGCSA-N 2 2 366.278 4.014 20 0 FIADLP CC1CCC([N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C2CC2)CC1 ZINC001167071433 1080000795 /nfs/dbraw/zinc/00/07/95/1080000795.db2.gz LUSOOLINJUPAHO-POOLCLQXSA-N 2 2 356.554 4.321 20 0 FIADLP CC1CCC([N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C2CC2)CC1 ZINC001167071433 1080000805 /nfs/dbraw/zinc/00/08/05/1080000805.db2.gz LUSOOLINJUPAHO-POOLCLQXSA-N 2 2 356.554 4.321 20 0 FIADLP CC1CCC([NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CC2)CC1 ZINC001167071433 1080000817 /nfs/dbraw/zinc/00/08/17/1080000817.db2.gz LUSOOLINJUPAHO-POOLCLQXSA-N 2 2 356.554 4.321 20 0 FIADLP CC1CCC([NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)CC1 ZINC001167071433 1080000828 /nfs/dbraw/zinc/00/08/28/1080000828.db2.gz LUSOOLINJUPAHO-POOLCLQXSA-N 2 2 356.554 4.321 20 0 FIADLP CC[N@H+](CC1(COC)CCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000463108505 1080027874 /nfs/dbraw/zinc/02/78/74/1080027874.db2.gz WOVGMUINLPGDHV-UHFFFAOYSA-N 2 2 374.573 4.016 20 0 FIADLP CC[N@@H+](CC1(COC)CCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000463108505 1080027890 /nfs/dbraw/zinc/02/78/90/1080027890.db2.gz WOVGMUINLPGDHV-UHFFFAOYSA-N 2 2 374.573 4.016 20 0 FIADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)CC3 ZINC000180082605 1080436719 /nfs/dbraw/zinc/43/67/19/1080436719.db2.gz AXFRUFJQYDUKSV-FQEVSTJZSA-N 2 2 370.500 4.368 20 0 FIADLP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543989092 1080950166 /nfs/dbraw/zinc/95/01/66/1080950166.db2.gz SZFDWZJOIMWARG-OAHLLOKOSA-N 2 2 371.510 4.248 20 0 FIADLP c1ccc(CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000655701309 1081122812 /nfs/dbraw/zinc/12/28/12/1081122812.db2.gz RLXCQQOJTWOZDO-ZEQRLZLVSA-N 2 2 364.533 4.203 20 0 FIADLP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)c(C)c1 ZINC000655703817 1081125489 /nfs/dbraw/zinc/12/54/89/1081125489.db2.gz LURRSRRLPPAJLY-LADGPHEKSA-N 2 2 364.533 4.236 20 0 FIADLP CC(C)Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000655704796 1081126797 /nfs/dbraw/zinc/12/67/97/1081126797.db2.gz KWXIVKIPYQKALZ-PKTZIBPZSA-N 2 2 356.554 4.179 20 0 FIADLP CCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000655724123 1081142603 /nfs/dbraw/zinc/14/26/03/1081142603.db2.gz VVTHOZDSDHFUGT-YLJYHZDGSA-N 2 2 352.469 4.039 20 0 FIADLP CC1(C)CC[C@@H]2C[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c3cccc1c32 ZINC000655737896 1081156684 /nfs/dbraw/zinc/15/66/84/1081156684.db2.gz GWMBGKLAAWDXAG-PLMTUMEDSA-N 2 2 354.538 4.129 20 0 FIADLP O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)c1cccs1 ZINC000175829562 1081370169 /nfs/dbraw/zinc/37/01/69/1081370169.db2.gz YPNNKWUHBFSKIF-OALUTQOASA-N 2 2 353.491 4.022 20 0 FIADLP O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)c1cccs1 ZINC000175829562 1081370180 /nfs/dbraw/zinc/37/01/80/1081370180.db2.gz YPNNKWUHBFSKIF-OALUTQOASA-N 2 2 353.491 4.022 20 0 FIADLP CCCC[NH+]1CCC([NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000706487164 1081794391 /nfs/dbraw/zinc/79/43/91/1081794391.db2.gz BKDVLCOUHRPBFT-UHFFFAOYSA-N 2 2 359.739 4.457 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1Br ZINC000152759317 1081957729 /nfs/dbraw/zinc/95/77/29/1081957729.db2.gz PYFBJZQJYZITPZ-GFCCVEGCSA-N 2 2 366.278 4.014 20 0 FIADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)ccc1Br ZINC001203155700 1082084960 /nfs/dbraw/zinc/08/49/60/1082084960.db2.gz DRMRZLFRHMWDOL-KRWDZBQOSA-N 2 2 351.332 4.254 20 0 FIADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)ccc1Br ZINC001203155700 1082084963 /nfs/dbraw/zinc/08/49/63/1082084963.db2.gz DRMRZLFRHMWDOL-KRWDZBQOSA-N 2 2 351.332 4.254 20 0 FIADLP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000581043253 1082289238 /nfs/dbraw/zinc/28/92/38/1082289238.db2.gz XJWJFNRDGLQIIN-CVEARBPZSA-N 2 2 362.315 4.031 20 0 FIADLP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(OC2CCCC2)c1 ZINC000581542606 1082652369 /nfs/dbraw/zinc/65/23/69/1082652369.db2.gz TUCSKVBYQZXGCY-RTWAWAEBSA-N 2 2 352.478 4.251 20 0 FIADLP C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178199884 1082974053 /nfs/dbraw/zinc/97/40/53/1082974053.db2.gz QSWPLDUBHNONCE-QZTJIDSGSA-N 2 2 374.488 4.411 20 0 FIADLP Cc1cc(Br)c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000449324917 1083148112 /nfs/dbraw/zinc/14/81/12/1083148112.db2.gz IFXLFMYDJWEMKL-LBPRGKRZSA-N 2 2 368.706 4.134 20 0 FIADLP Cc1cc(Br)c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000449324917 1083148114 /nfs/dbraw/zinc/14/81/14/1083148114.db2.gz IFXLFMYDJWEMKL-LBPRGKRZSA-N 2 2 368.706 4.134 20 0 FIADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000510665652 1083227014 /nfs/dbraw/zinc/22/70/14/1083227014.db2.gz CJXRAUGUIGTKFK-CABCVRRESA-N 2 2 361.480 4.385 20 0 FIADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)c1ccccc1 ZINC000089134308 1083236098 /nfs/dbraw/zinc/23/60/98/1083236098.db2.gz JPGKHJPEJLDANP-NRFANRHFSA-N 2 2 373.585 4.086 20 0 FIADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)c(C)c1 ZINC000658225941 1083360745 /nfs/dbraw/zinc/36/07/45/1083360745.db2.gz DIZMZMGOGKYCND-RBUKOAKNSA-N 2 2 357.542 4.017 20 0 FIADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)c(C)c1 ZINC000658225941 1083360755 /nfs/dbraw/zinc/36/07/55/1083360755.db2.gz DIZMZMGOGKYCND-RBUKOAKNSA-N 2 2 357.542 4.017 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(-c2ccccc2)s1 ZINC000658293062 1083396559 /nfs/dbraw/zinc/39/65/59/1083396559.db2.gz CPDLTMJZNOMOPV-QFBILLFUSA-N 2 2 356.535 4.319 20 0 FIADLP Clc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)cc1Cl ZINC000658296152 1083397254 /nfs/dbraw/zinc/39/72/54/1083397254.db2.gz XSQAQRYVLPKPIO-VQIMIIECSA-N 2 2 369.336 4.287 20 0 FIADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000535808028 1083695572 /nfs/dbraw/zinc/69/55/72/1083695572.db2.gz MQSWCDIMHCFBOU-PGRDOPGGSA-N 2 2 350.506 4.297 20 0 FIADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000535808028 1083695578 /nfs/dbraw/zinc/69/55/78/1083695578.db2.gz MQSWCDIMHCFBOU-PGRDOPGGSA-N 2 2 350.506 4.297 20 0 FIADLP COc1ccc2ccccc2c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000535808028 1083695584 /nfs/dbraw/zinc/69/55/84/1083695584.db2.gz MQSWCDIMHCFBOU-PGRDOPGGSA-N 2 2 350.506 4.297 20 0 FIADLP COc1ccc2ccccc2c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000535808028 1083695588 /nfs/dbraw/zinc/69/55/88/1083695588.db2.gz MQSWCDIMHCFBOU-PGRDOPGGSA-N 2 2 350.506 4.297 20 0 FIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cn2ccccc2n1 ZINC000582013224 1083985832 /nfs/dbraw/zinc/98/58/32/1083985832.db2.gz FEXGJPLQAUGUNL-XSLAUPDRSA-N 2 2 360.505 4.181 20 0 FIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cn2ccccc2n1 ZINC000582013224 1083985835 /nfs/dbraw/zinc/98/58/35/1083985835.db2.gz FEXGJPLQAUGUNL-XSLAUPDRSA-N 2 2 360.505 4.181 20 0 FIADLP COC(=O)c1coc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510997530 1084071184 /nfs/dbraw/zinc/07/11/84/1084071184.db2.gz VJVREQJFSMOAEF-JXFKEZNVSA-N 2 2 370.493 4.018 20 0 FIADLP COC(=O)c1coc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510997530 1084071203 /nfs/dbraw/zinc/07/12/03/1084071203.db2.gz VJVREQJFSMOAEF-JXFKEZNVSA-N 2 2 370.493 4.018 20 0 FIADLP C[C@H]1CCC[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)[C@H]1C[NH3+] ZINC000647496761 1084226728 /nfs/dbraw/zinc/22/67/28/1084226728.db2.gz OMPNAEXGKINTKF-YWZLYKJASA-N 2 2 371.912 4.152 20 0 FIADLP C[C@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)[C@H]1C[NH3+] ZINC000647496761 1084226736 /nfs/dbraw/zinc/22/67/36/1084226736.db2.gz OMPNAEXGKINTKF-YWZLYKJASA-N 2 2 371.912 4.152 20 0 FIADLP c1cn(-c2ccc(C[NH2+]CC3(CCOCc4ccccc4)CC3)cc2)c[nH+]1 ZINC000472080132 1084256643 /nfs/dbraw/zinc/25/66/43/1084256643.db2.gz ZUYLPDKEOCSQFU-UHFFFAOYSA-N 2 2 361.489 4.349 20 0 FIADLP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc(C)c1OC(F)F ZINC001203156419 1084484163 /nfs/dbraw/zinc/48/41/63/1084484163.db2.gz YCTWGVNVOHALLN-GOSISDBHSA-N 2 2 352.469 4.401 20 0 FIADLP Cc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc(C)c1OC(F)F ZINC001203156419 1084484173 /nfs/dbraw/zinc/48/41/73/1084484173.db2.gz YCTWGVNVOHALLN-GOSISDBHSA-N 2 2 352.469 4.401 20 0 FIADLP COC(=O)c1csc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001167573341 1084992693 /nfs/dbraw/zinc/99/26/93/1084992693.db2.gz UVBUHRUEIDNFIJ-QFBILLFUSA-N 2 2 372.534 4.020 20 0 FIADLP COC(=O)c1csc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001167573341 1084992697 /nfs/dbraw/zinc/99/26/97/1084992697.db2.gz UVBUHRUEIDNFIJ-QFBILLFUSA-N 2 2 372.534 4.020 20 0 FIADLP COC(=O)c1csc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001167573341 1084992701 /nfs/dbraw/zinc/99/27/01/1084992701.db2.gz UVBUHRUEIDNFIJ-QFBILLFUSA-N 2 2 372.534 4.020 20 0 FIADLP COC(=O)c1csc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001167573341 1084992702 /nfs/dbraw/zinc/99/27/02/1084992702.db2.gz UVBUHRUEIDNFIJ-QFBILLFUSA-N 2 2 372.534 4.020 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)C[Si](C)(C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001167573925 1084994422 /nfs/dbraw/zinc/99/44/22/1084994422.db2.gz ZVVUSXDTWIVSQH-IFMALSPDSA-N 2 2 366.625 4.126 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)C[Si](C)(C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001167573925 1084994425 /nfs/dbraw/zinc/99/44/25/1084994425.db2.gz ZVVUSXDTWIVSQH-IFMALSPDSA-N 2 2 366.625 4.126 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)C[Si](C)(C)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001167573925 1084994426 /nfs/dbraw/zinc/99/44/26/1084994426.db2.gz ZVVUSXDTWIVSQH-IFMALSPDSA-N 2 2 366.625 4.126 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)C[Si](C)(C)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001167573925 1084994431 /nfs/dbraw/zinc/99/44/31/1084994431.db2.gz ZVVUSXDTWIVSQH-IFMALSPDSA-N 2 2 366.625 4.126 20 0 FIADLP C[C@@H]1C[N@H+](Cc2cccc(CNc3cc[nH+]c4cc(F)ccc34)c2)CCO1 ZINC000685904884 1085013734 /nfs/dbraw/zinc/01/37/34/1085013734.db2.gz BNCIWFZBZYNYGG-MRXNPFEDSA-N 2 2 365.452 4.207 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2cccc(CNc3cc[nH+]c4cc(F)ccc34)c2)CCO1 ZINC000685904884 1085013740 /nfs/dbraw/zinc/01/37/40/1085013740.db2.gz BNCIWFZBZYNYGG-MRXNPFEDSA-N 2 2 365.452 4.207 20 0 FIADLP CCCOc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1OC ZINC000075758088 1085545491 /nfs/dbraw/zinc/54/54/91/1085545491.db2.gz NBZNDXDLSZGTEW-UHFFFAOYSA-N 2 2 365.477 4.019 20 0 FIADLP COc1ccc(-c2cc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)on2)cc1 ZINC000657635276 1085724064 /nfs/dbraw/zinc/72/40/64/1085724064.db2.gz OLCGDZJUJKTVCE-UHFFFAOYSA-N 2 2 369.509 4.237 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000153490037 1085823819 /nfs/dbraw/zinc/82/38/19/1085823819.db2.gz QHYRBYOGAZIVLP-DVECYGJZSA-N 2 2 372.516 4.144 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000153490037 1085823828 /nfs/dbraw/zinc/82/38/28/1085823828.db2.gz QHYRBYOGAZIVLP-DVECYGJZSA-N 2 2 372.516 4.144 20 0 FIADLP Clc1scc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1Cl ZINC000432237335 1085913552 /nfs/dbraw/zinc/91/35/52/1085913552.db2.gz FLNWRYUBRXEZTN-UHFFFAOYSA-N 2 2 371.333 4.177 20 0 FIADLP COCc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1OC ZINC000153666569 1086020913 /nfs/dbraw/zinc/02/09/13/1086020913.db2.gz MHCSTYGWHAPFKZ-HNNXBMFYSA-N 2 2 369.440 4.017 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](Cc2ccccc2)c2cccs2)s1 ZINC000512026498 1086662046 /nfs/dbraw/zinc/66/20/46/1086662046.db2.gz REHOIQRAWPENHT-KRWDZBQOSA-N 2 2 357.548 4.340 20 0 FIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(-c2ccncc2)c1 ZINC000156276053 1086665638 /nfs/dbraw/zinc/66/56/38/1086665638.db2.gz YODXQCRDHUEZTG-GOSISDBHSA-N 2 2 358.489 4.463 20 0 FIADLP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cc2n(n1)CCCC2 ZINC000647291653 1086674458 /nfs/dbraw/zinc/67/44/58/1086674458.db2.gz VIADKHJWWMSNMI-QPXQOZNCSA-N 2 2 366.553 4.027 20 0 FIADLP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cc2n(n1)CCCC2 ZINC000647291653 1086674464 /nfs/dbraw/zinc/67/44/64/1086674464.db2.gz VIADKHJWWMSNMI-QPXQOZNCSA-N 2 2 366.553 4.027 20 0 FIADLP COc1ccc(-c2csc(C[NH2+]Cc3ncc(C[NH+](C)C)s3)c2)cc1 ZINC000512036412 1086682559 /nfs/dbraw/zinc/68/25/59/1086682559.db2.gz IACMLPANGUTMPM-UHFFFAOYSA-N 2 2 373.547 4.232 20 0 FIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000585750079 1086686157 /nfs/dbraw/zinc/68/61/57/1086686157.db2.gz FUBJNOCCPVFMNC-GGAORHGYSA-N 2 2 361.489 4.472 20 0 FIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000585750079 1086686159 /nfs/dbraw/zinc/68/61/59/1086686159.db2.gz FUBJNOCCPVFMNC-GGAORHGYSA-N 2 2 361.489 4.472 20 0 FIADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(-c2cccnc2)cc1 ZINC000512038192 1086689134 /nfs/dbraw/zinc/68/91/34/1086689134.db2.gz JOGYHXAOBDLFKJ-OAHLLOKOSA-N 2 2 352.507 4.118 20 0 FIADLP C[C@H]1C[N@H+](CCC[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CCCO1 ZINC000432412904 1086735328 /nfs/dbraw/zinc/73/53/28/1086735328.db2.gz JBZXFICIYHJFKA-KRWDZBQOSA-N 2 2 374.475 4.145 20 0 FIADLP C[C@H]1C[N@@H+](CCC[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CCCO1 ZINC000432412904 1086735337 /nfs/dbraw/zinc/73/53/37/1086735337.db2.gz JBZXFICIYHJFKA-KRWDZBQOSA-N 2 2 374.475 4.145 20 0 FIADLP C[N@@H+]1CCC[C@H](CNc2[nH+]ccc3c(N)cccc32)[C@H]1c1cccs1 ZINC000663659808 1086790827 /nfs/dbraw/zinc/79/08/27/1086790827.db2.gz HSSHPZJWCPMFJW-KUHUBIRLSA-N 2 2 352.507 4.374 20 0 FIADLP C[N@H+]1CCC[C@H](CNc2[nH+]ccc3c(N)cccc32)[C@H]1c1cccs1 ZINC000663659808 1086790832 /nfs/dbraw/zinc/79/08/32/1086790832.db2.gz HSSHPZJWCPMFJW-KUHUBIRLSA-N 2 2 352.507 4.374 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)s1 ZINC000512131022 1086799748 /nfs/dbraw/zinc/79/97/48/1086799748.db2.gz NNQVRLQIHJWGLI-UHFFFAOYSA-N 2 2 357.445 4.248 20 0 FIADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245607537 1086804004 /nfs/dbraw/zinc/80/40/04/1086804004.db2.gz NNOHKUIPKGRMID-IMFGXOCKSA-N 2 2 368.525 4.225 20 0 FIADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245607537 1086804014 /nfs/dbraw/zinc/80/40/14/1086804014.db2.gz NNOHKUIPKGRMID-IMFGXOCKSA-N 2 2 368.525 4.225 20 0 FIADLP Cc1[nH+]cc(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1-c1ccccc1 ZINC000512178168 1086893507 /nfs/dbraw/zinc/89/35/07/1086893507.db2.gz IGPSQOCSSZFHHN-NRFANRHFSA-N 2 2 366.553 4.125 20 0 FIADLP Cc1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1-c1ccccc1 ZINC000512178168 1086893515 /nfs/dbraw/zinc/89/35/15/1086893515.db2.gz IGPSQOCSSZFHHN-NRFANRHFSA-N 2 2 366.553 4.125 20 0 FIADLP Cc1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1-c1ccccc1 ZINC000512178168 1086893527 /nfs/dbraw/zinc/89/35/27/1086893527.db2.gz IGPSQOCSSZFHHN-NRFANRHFSA-N 2 2 366.553 4.125 20 0 FIADLP COc1cc(OC)cc(Oc2cccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)c1 ZINC000583887993 1087013315 /nfs/dbraw/zinc/01/33/15/1087013315.db2.gz NWWYPSDRIFRQHC-FUHWJXTLSA-N 2 2 370.493 4.068 20 0 FIADLP COc1cc(OC)cc(Oc2cccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)c1 ZINC000583887993 1087013321 /nfs/dbraw/zinc/01/33/21/1087013321.db2.gz NWWYPSDRIFRQHC-FUHWJXTLSA-N 2 2 370.493 4.068 20 0 FIADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 ZINC000583974588 1087075625 /nfs/dbraw/zinc/07/56/25/1087075625.db2.gz AYEDJECJJNLNCW-RZUBCFFCSA-N 2 2 354.542 4.119 20 0 FIADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1Cl ZINC000151323051 1087088529 /nfs/dbraw/zinc/08/85/29/1087088529.db2.gz BDLVZWDIJIOWLR-HNNXBMFYSA-N 2 2 355.869 4.444 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cncc(Br)c1 ZINC000657817913 1087109027 /nfs/dbraw/zinc/10/90/27/1087109027.db2.gz URCVNNZLUFHFKS-HNNXBMFYSA-N 2 2 374.326 4.159 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151661209 1087197095 /nfs/dbraw/zinc/19/70/95/1087197095.db2.gz MMKSWGMPYICNTE-SFHVURJKSA-N 3 2 352.526 4.320 20 0 FIADLP C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151694661 1087209458 /nfs/dbraw/zinc/20/94/58/1087209458.db2.gz QYFOPNKIOMKVLU-ROUUACIJSA-N 2 2 374.488 4.411 20 0 FIADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)CCO2 ZINC000584290952 1087250560 /nfs/dbraw/zinc/25/05/60/1087250560.db2.gz QTBHESLNFVARGX-FPOVZHCZSA-N 2 2 366.480 4.436 20 0 FIADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)CCO2 ZINC000584290952 1087250563 /nfs/dbraw/zinc/25/05/63/1087250563.db2.gz QTBHESLNFVARGX-FPOVZHCZSA-N 2 2 366.480 4.436 20 0 FIADLP COC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(Cl)c1 ZINC000685644705 1087654855 /nfs/dbraw/zinc/65/48/55/1087654855.db2.gz VEWJFFQIEUVASP-FQEVSTJZSA-N 2 2 355.869 4.062 20 0 FIADLP Fc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CCc4[nH+]c[nH]c4C2)CCC3)cc1 ZINC000685662127 1087667779 /nfs/dbraw/zinc/66/77/79/1087667779.db2.gz HIVWBWCSMYYGIU-GOEBONIOSA-N 2 2 368.481 4.197 20 0 FIADLP c1csc([C@@H](Cc2ccncc2)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000424272424 1087905801 /nfs/dbraw/zinc/90/58/01/1087905801.db2.gz UECKXUSHYWLBRK-LJQANCHMSA-N 2 2 364.518 4.081 20 0 FIADLP COc1ccc2c(c1)[nH+]ccc2N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782978031 1088793778 /nfs/dbraw/zinc/79/37/78/1088793778.db2.gz JJELGMBNHXEMRH-UHFFFAOYSA-N 2 2 350.466 4.137 20 0 FIADLP c1cn([C@H]2CCc3ccccc3[C@H]2[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)c[nH+]1 ZINC000580245182 1088914478 /nfs/dbraw/zinc/91/44/78/1088914478.db2.gz CVKJXCKEXDJYPY-NDHNYZRRSA-N 2 2 365.521 4.297 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(Br)o2)cc1 ZINC000188738853 1088979023 /nfs/dbraw/zinc/97/90/23/1088979023.db2.gz XCLQCYJXQURXKI-LBPRGKRZSA-N 2 2 360.255 4.387 20 0 FIADLP Cn1cc([C@H]2[C@H](C[N@H+](C)[C@H]3CCc4ccc(Cl)cc43)CCC[NH+]2C)cn1 ZINC000434739943 1089009531 /nfs/dbraw/zinc/00/95/31/1089009531.db2.gz XODJPXXRNULJTA-ORYQWCPZSA-N 2 2 372.944 4.076 20 0 FIADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)[C@H]3CCc4ccc(Cl)cc43)CCC[NH+]2C)cn1 ZINC000434739943 1089009548 /nfs/dbraw/zinc/00/95/48/1089009548.db2.gz XODJPXXRNULJTA-ORYQWCPZSA-N 2 2 372.944 4.076 20 0 FIADLP Cn1cc([C@H]2[C@H](C[NH+](C)[C@H]3CCc4ccc(Cl)cc43)CCC[N@@H+]2C)cn1 ZINC000434739943 1089009566 /nfs/dbraw/zinc/00/95/66/1089009566.db2.gz XODJPXXRNULJTA-ORYQWCPZSA-N 2 2 372.944 4.076 20 0 FIADLP Cn1cc([C@H]2[C@H](C[NH+](C)[C@H]3CCc4ccc(Cl)cc43)CCC[N@H+]2C)cn1 ZINC000434739943 1089009583 /nfs/dbraw/zinc/00/95/83/1089009583.db2.gz XODJPXXRNULJTA-ORYQWCPZSA-N 2 2 372.944 4.076 20 0 FIADLP C[C@@H]([NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414855402 1089054404 /nfs/dbraw/zinc/05/44/04/1089054404.db2.gz NCUFHNQTMJLILI-TZMCWYRMSA-N 2 2 369.456 4.307 20 0 FIADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414856352 1089071468 /nfs/dbraw/zinc/07/14/68/1089071468.db2.gz YPWSMIIPJPJRGY-KRWDZBQOSA-N 2 2 359.901 4.055 20 0 FIADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163697771 1089073350 /nfs/dbraw/zinc/07/33/50/1089073350.db2.gz RMGHROPQNRUIQJ-MRXNPFEDSA-N 2 2 373.566 4.258 20 0 FIADLP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434980417 1089180044 /nfs/dbraw/zinc/18/00/44/1089180044.db2.gz DRFMUIRUISKNAD-LBPRGKRZSA-N 2 2 357.845 4.054 20 0 FIADLP Cc1ncsc1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435421717 1089638471 /nfs/dbraw/zinc/63/84/71/1089638471.db2.gz KRKHKESGKFKIIS-OAHLLOKOSA-N 2 2 369.456 4.082 20 0 FIADLP Cc1ncsc1C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435421717 1089638477 /nfs/dbraw/zinc/63/84/77/1089638477.db2.gz KRKHKESGKFKIIS-OAHLLOKOSA-N 2 2 369.456 4.082 20 0 FIADLP FC(F)(F)C1CCC(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000514972831 1089675142 /nfs/dbraw/zinc/67/51/42/1089675142.db2.gz RLOXECAPMLPXPM-UHFFFAOYSA-N 2 2 351.416 4.390 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C[C@@H]1CCCO1)c1ccc(F)cc1)CCC2 ZINC000377817088 1089838843 /nfs/dbraw/zinc/83/88/43/1089838843.db2.gz PBBIKPDXIDXLEO-YSIASYRMSA-N 2 2 357.473 4.108 20 0 FIADLP c1coc(-c2cc(C[N@@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)no2)c1 ZINC000435697774 1089881325 /nfs/dbraw/zinc/88/13/25/1089881325.db2.gz ZAMSZPCFMKOGLB-LJQANCHMSA-N 2 2 369.490 4.140 20 0 FIADLP c1coc(-c2cc(C[N@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)no2)c1 ZINC000435697774 1089881344 /nfs/dbraw/zinc/88/13/44/1089881344.db2.gz ZAMSZPCFMKOGLB-LJQANCHMSA-N 2 2 369.490 4.140 20 0 FIADLP CC[N@H+](C[C@H](OC)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000549350461 1089891759 /nfs/dbraw/zinc/89/17/59/1089891759.db2.gz XNZYSHJTGXKUHW-NRFANRHFSA-N 2 2 353.510 4.008 20 0 FIADLP CC[N@@H+](C[C@H](OC)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000549350461 1089891779 /nfs/dbraw/zinc/89/17/79/1089891779.db2.gz XNZYSHJTGXKUHW-NRFANRHFSA-N 2 2 353.510 4.008 20 0 FIADLP Cc1nc(C[NH+]2CCC(CNc3[nH+]ccc4ccc(C)cc43)CC2)oc1C ZINC000515349192 1089977386 /nfs/dbraw/zinc/97/73/86/1089977386.db2.gz ZIJIJIOKJZDIBA-UHFFFAOYSA-N 2 2 364.493 4.472 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000182091067 1090041247 /nfs/dbraw/zinc/04/12/47/1090041247.db2.gz NDQYSFMTYBXJLM-CYBMUJFWSA-N 2 2 369.843 4.130 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000182091067 1090041263 /nfs/dbraw/zinc/04/12/63/1090041263.db2.gz NDQYSFMTYBXJLM-CYBMUJFWSA-N 2 2 369.843 4.130 20 0 FIADLP FC(F)(F)c1ccccc1OCC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000187840193 1090069402 /nfs/dbraw/zinc/06/94/02/1090069402.db2.gz YCBGAOQYQHQDDV-UHFFFAOYSA-N 2 2 367.415 4.083 20 0 FIADLP COc1ccccc1-c1ccc([C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC000659955367 1090314520 /nfs/dbraw/zinc/31/45/20/1090314520.db2.gz RMJUPRCDDGLDPE-RXVVDRJESA-N 2 2 370.537 4.056 20 0 FIADLP COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC000659955367 1090314530 /nfs/dbraw/zinc/31/45/30/1090314530.db2.gz RMJUPRCDDGLDPE-RXVVDRJESA-N 2 2 370.537 4.056 20 0 FIADLP COc1ccccc1-c1ccc([C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000659955367 1090314537 /nfs/dbraw/zinc/31/45/37/1090314537.db2.gz RMJUPRCDDGLDPE-RXVVDRJESA-N 2 2 370.537 4.056 20 0 FIADLP COc1ccccc1-c1ccc([C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000659955367 1090314544 /nfs/dbraw/zinc/31/45/44/1090314544.db2.gz RMJUPRCDDGLDPE-RXVVDRJESA-N 2 2 370.537 4.056 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000378402490 1090347000 /nfs/dbraw/zinc/34/70/00/1090347000.db2.gz LVKSEXYNQWJGJU-KRWDZBQOSA-N 2 2 357.461 4.124 20 0 FIADLP Fc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1OCC(F)(F)F ZINC000183360927 1090409232 /nfs/dbraw/zinc/40/92/32/1090409232.db2.gz QATJDCWKOBYGHZ-INIZCTEOSA-N 2 2 374.422 4.217 20 0 FIADLP Fc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1OCC(F)(F)F ZINC000183360927 1090409244 /nfs/dbraw/zinc/40/92/44/1090409244.db2.gz QATJDCWKOBYGHZ-INIZCTEOSA-N 2 2 374.422 4.217 20 0 FIADLP CCn1c[nH+]cc1CNc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000417999898 1091020418 /nfs/dbraw/zinc/02/04/18/1091020418.db2.gz WSGKRVHPCSCCLF-JOCHJYFZSA-N 2 2 370.541 4.295 20 0 FIADLP CCn1c[nH+]cc1CNc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000417999898 1091020427 /nfs/dbraw/zinc/02/04/27/1091020427.db2.gz WSGKRVHPCSCCLF-JOCHJYFZSA-N 2 2 370.541 4.295 20 0 FIADLP COc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1Cl ZINC000660437213 1091430498 /nfs/dbraw/zinc/43/04/98/1091430498.db2.gz WFWWULCTWZBNTK-UHFFFAOYSA-N 2 2 359.901 4.261 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000512211534 1091914331 /nfs/dbraw/zinc/91/43/31/1091914331.db2.gz HWJIFHXKYSITJA-RTBURBONSA-N 2 2 370.516 4.098 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000512211534 1091914337 /nfs/dbraw/zinc/91/43/37/1091914337.db2.gz HWJIFHXKYSITJA-RTBURBONSA-N 2 2 370.516 4.098 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000512211534 1091914338 /nfs/dbraw/zinc/91/43/38/1091914338.db2.gz HWJIFHXKYSITJA-RTBURBONSA-N 2 2 370.516 4.098 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000512211534 1091914341 /nfs/dbraw/zinc/91/43/41/1091914341.db2.gz HWJIFHXKYSITJA-RTBURBONSA-N 2 2 370.516 4.098 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000474026380 1092253750 /nfs/dbraw/zinc/25/37/50/1092253750.db2.gz DSTUOBUGUZNIOE-XLIONFOSSA-N 2 2 364.489 4.442 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000474026380 1092253765 /nfs/dbraw/zinc/25/37/65/1092253765.db2.gz DSTUOBUGUZNIOE-XLIONFOSSA-N 2 2 364.489 4.442 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)CCC(=O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000512431985 1092313962 /nfs/dbraw/zinc/31/39/62/1092313962.db2.gz CJAWHIRDDDLSLY-PGRDOPGGSA-N 2 2 368.496 4.383 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)CCC(=O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000512431985 1092313975 /nfs/dbraw/zinc/31/39/75/1092313975.db2.gz CJAWHIRDDDLSLY-PGRDOPGGSA-N 2 2 368.496 4.383 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)CCC(=O)c2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000512431985 1092313989 /nfs/dbraw/zinc/31/39/89/1092313989.db2.gz CJAWHIRDDDLSLY-PGRDOPGGSA-N 2 2 368.496 4.383 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)c2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000512431985 1092314005 /nfs/dbraw/zinc/31/40/05/1092314005.db2.gz CJAWHIRDDDLSLY-PGRDOPGGSA-N 2 2 368.496 4.383 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000245580303 1092666643 /nfs/dbraw/zinc/66/66/43/1092666643.db2.gz GVLGBLJCEROEDN-XGRCMKMKSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000245580303 1092666645 /nfs/dbraw/zinc/66/66/45/1092666645.db2.gz GVLGBLJCEROEDN-XGRCMKMKSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000549830171 1092857236 /nfs/dbraw/zinc/85/72/36/1092857236.db2.gz QYNKFBOXNKTMGH-MRXNPFEDSA-N 2 2 361.424 4.048 20 0 FIADLP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000152223193 1093200603 /nfs/dbraw/zinc/20/06/03/1093200603.db2.gz BURKSLMAJPGSNX-MRXNPFEDSA-N 2 2 351.450 4.049 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1Br ZINC000152227579 1093201366 /nfs/dbraw/zinc/20/13/66/1093201366.db2.gz BJRBXEJTDGXMBS-AWEZNQCLSA-N 2 2 356.267 4.486 20 0 FIADLP CC[NH+](CC)[C@@H](C[NH2+]Cc1ccccc1-c1ccnn1C)c1ccccc1 ZINC000509617072 1093206176 /nfs/dbraw/zinc/20/61/76/1093206176.db2.gz KOMQWTTVXGGROP-QHCPKHFHSA-N 2 2 362.521 4.260 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1OC(F)F ZINC000152265335 1093243633 /nfs/dbraw/zinc/24/36/33/1093243633.db2.gz BAOPPKVCESINSS-ZDUSSCGKSA-N 2 2 361.367 4.464 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000191478491 1093406885 /nfs/dbraw/zinc/40/68/85/1093406885.db2.gz DWGURYMTXWVENR-UHFFFAOYSA-N 2 2 356.445 4.152 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000191478491 1093406897 /nfs/dbraw/zinc/40/68/97/1093406897.db2.gz DWGURYMTXWVENR-UHFFFAOYSA-N 2 2 356.445 4.152 20 0 FIADLP CCOc1ccnc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168025040 1093426697 /nfs/dbraw/zinc/42/66/97/1093426697.db2.gz AWSSECCFNDIAQA-ROUUACIJSA-N 2 2 353.510 4.012 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000191514884 1093433287 /nfs/dbraw/zinc/43/32/87/1093433287.db2.gz WNGQFLIOQKHWCS-UHFFFAOYSA-N 2 2 374.435 4.291 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000191514884 1093433288 /nfs/dbraw/zinc/43/32/88/1093433288.db2.gz WNGQFLIOQKHWCS-UHFFFAOYSA-N 2 2 374.435 4.291 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168027988 1093528163 /nfs/dbraw/zinc/52/81/63/1093528163.db2.gz NWQLTFDDGDCBFH-JHDGKUDLSA-N 3 2 369.597 4.425 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168027988 1093528167 /nfs/dbraw/zinc/52/81/67/1093528167.db2.gz NWQLTFDDGDCBFH-JHDGKUDLSA-N 3 2 369.597 4.425 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cncnc2C(C)(C)F)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168030471 1093581560 /nfs/dbraw/zinc/58/15/60/1093581560.db2.gz VWPYPZRPPYEAMO-XEMDLRDOSA-N 2 2 370.516 4.212 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cncnc2C(C)(C)F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168030471 1093581565 /nfs/dbraw/zinc/58/15/65/1093581565.db2.gz VWPYPZRPPYEAMO-XEMDLRDOSA-N 2 2 370.516 4.212 20 0 FIADLP CC(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168031227 1093615639 /nfs/dbraw/zinc/61/56/39/1093615639.db2.gz YEFZJPMZTYLZBF-JHDGKUDLSA-N 3 2 357.586 4.138 20 0 FIADLP CC(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168031227 1093615643 /nfs/dbraw/zinc/61/56/43/1093615643.db2.gz YEFZJPMZTYLZBF-JHDGKUDLSA-N 3 2 357.586 4.138 20 0 FIADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000513488562 1094159181 /nfs/dbraw/zinc/15/91/81/1094159181.db2.gz XIISFFLTWNZOGO-LJQANCHMSA-N 2 2 353.416 4.029 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+]C/C(C)=C/c2ccc(Cl)cc2)CC1 ZINC000513545371 1094205658 /nfs/dbraw/zinc/20/56/58/1094205658.db2.gz QCZZHTZFTVYWMW-DTQAZKPQSA-N 2 2 350.934 4.222 20 0 FIADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(C)c1OC ZINC000513684405 1094275228 /nfs/dbraw/zinc/27/52/28/1094275228.db2.gz QXXBXVOCJXDYSQ-KRWDZBQOSA-N 2 2 365.477 4.108 20 0 FIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000474617432 1094443538 /nfs/dbraw/zinc/44/35/38/1094443538.db2.gz APUQXUDOEMOCIC-IAGOWNOFSA-N 2 2 365.477 4.171 20 0 FIADLP C[NH+](C)CC[C@@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)C(C)(C)C ZINC000116396997 1094480684 /nfs/dbraw/zinc/48/06/84/1094480684.db2.gz KGUKZCCFHVZCID-OAQYLSRUSA-N 2 2 367.537 4.248 20 0 FIADLP CCOC(=O)C1(C)CCC([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000474713257 1094537302 /nfs/dbraw/zinc/53/73/02/1094537302.db2.gz XIPUADVVAALQDY-QXAHSBQVSA-N 2 2 360.542 4.217 20 0 FIADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000501464293 1094721234 /nfs/dbraw/zinc/72/12/34/1094721234.db2.gz ZANGSOQOOCBDDP-SHRNQRGKSA-N 2 2 358.473 4.136 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1nc2c(s1)CCC2 ZINC000502018618 1095058620 /nfs/dbraw/zinc/05/86/20/1095058620.db2.gz PGTQUSGEIDTVOK-BQFCYCMXSA-N 2 2 355.551 4.336 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1nc2c(s1)CCC2 ZINC000502018618 1095058626 /nfs/dbraw/zinc/05/86/26/1095058626.db2.gz PGTQUSGEIDTVOK-BQFCYCMXSA-N 2 2 355.551 4.336 20 0 FIADLP Cc1cc(NC2CC[NH+](C3CC3)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000522646514 1095213957 /nfs/dbraw/zinc/21/39/57/1095213957.db2.gz ULCPBKPWUQDUKY-UHFFFAOYSA-N 2 2 365.399 4.481 20 0 FIADLP FC(F)Oc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502339434 1095375876 /nfs/dbraw/zinc/37/58/76/1095375876.db2.gz IVCHJZBCKJBHOS-INIZCTEOSA-N 2 2 361.436 4.200 20 0 FIADLP FC(F)Oc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502339434 1095375895 /nfs/dbraw/zinc/37/58/95/1095375895.db2.gz IVCHJZBCKJBHOS-INIZCTEOSA-N 2 2 361.436 4.200 20 0 FIADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)cc2)C1 ZINC000522741374 1095625574 /nfs/dbraw/zinc/62/55/74/1095625574.db2.gz NXRSHGKHEWVTEH-GOSISDBHSA-N 2 2 374.488 4.357 20 0 FIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)cc2)C1 ZINC000522741374 1095625583 /nfs/dbraw/zinc/62/55/83/1095625583.db2.gz NXRSHGKHEWVTEH-GOSISDBHSA-N 2 2 374.488 4.357 20 0 FIADLP COc1cccc(OC)c1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000713822430 1095852654 /nfs/dbraw/zinc/85/26/54/1095852654.db2.gz NURCMEHDARWESL-KRWDZBQOSA-N 2 2 354.494 4.019 20 0 FIADLP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444211332 1095858597 /nfs/dbraw/zinc/85/85/97/1095858597.db2.gz JTGIMTIXVOMFME-HOTGVXAUSA-N 2 2 351.332 4.318 20 0 FIADLP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444211332 1095858616 /nfs/dbraw/zinc/85/86/16/1095858616.db2.gz JTGIMTIXVOMFME-HOTGVXAUSA-N 2 2 351.332 4.318 20 0 FIADLP COc1ccc([C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C2CC2)c(F)c1 ZINC000421820249 1095953822 /nfs/dbraw/zinc/95/38/22/1095953822.db2.gz LNXLKRAYMCIAGE-JOCHJYFZSA-N 2 2 365.452 4.320 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000503061714 1096039503 /nfs/dbraw/zinc/03/95/03/1096039503.db2.gz LYKZDAIBWAXCOC-OAQYLSRUSA-N 2 2 368.431 4.094 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000503061714 1096039520 /nfs/dbraw/zinc/03/95/20/1096039520.db2.gz LYKZDAIBWAXCOC-OAQYLSRUSA-N 2 2 368.431 4.094 20 0 FIADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000513763285 1096080964 /nfs/dbraw/zinc/08/09/64/1096080964.db2.gz WSRNMWSCAXSCTP-INIZCTEOSA-N 2 2 355.432 4.321 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCCOCc3ccccc3)C2)n2c1CCCC2 ZINC000503406869 1096387202 /nfs/dbraw/zinc/38/72/02/1096387202.db2.gz NYXFBGYDMPAMKW-HXUWFJFHSA-N 2 2 353.510 4.006 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@H+](CCCOCc3ccccc3)C2)n2c1CCCC2 ZINC000503406869 1096387211 /nfs/dbraw/zinc/38/72/11/1096387211.db2.gz NYXFBGYDMPAMKW-HXUWFJFHSA-N 2 2 353.510 4.006 20 0 FIADLP [NH3+][C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000422778905 1096489161 /nfs/dbraw/zinc/48/91/61/1096489161.db2.gz FGMKEJRPCHZNAT-RTWAWAEBSA-N 2 2 355.913 4.039 20 0 FIADLP CC(C)Oc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c(C(F)(F)F)c1 ZINC000422898164 1096518089 /nfs/dbraw/zinc/51/80/89/1096518089.db2.gz DLVMFPSPXSTURD-LBPRGKRZSA-N 2 2 353.388 4.151 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)c1c[nH+]ccc1N ZINC000423020624 1096551221 /nfs/dbraw/zinc/55/12/21/1096551221.db2.gz CFMRGPFGEMHVOR-VIFPVBQESA-N 2 2 374.204 4.126 20 0 FIADLP COCc1nc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c(-c2ccccc2)s1 ZINC000423097136 1096573654 /nfs/dbraw/zinc/57/36/54/1096573654.db2.gz IVZNPTSYDNLFBV-SJLPKXTDSA-N 2 2 373.566 4.357 20 0 FIADLP COc1ccc([C@@H]([NH2+][C@H]2C[C@H](c3cccc(OC)c3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423154819 1096589580 /nfs/dbraw/zinc/58/95/80/1096589580.db2.gz KAKUVZBZSOUFFD-DAVBRLECSA-N 2 2 366.505 4.033 20 0 FIADLP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2Cl)cc1OC ZINC000423211284 1096608444 /nfs/dbraw/zinc/60/84/44/1096608444.db2.gz KTXAPAPQASAZHL-QVKFZJNVSA-N 2 2 374.912 4.036 20 0 FIADLP CSc1cccc([C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)c2ccc(F)c(F)c2)c1 ZINC000423405899 1096673488 /nfs/dbraw/zinc/67/34/88/1096673488.db2.gz UHSRGWKSHRPPAC-GBLZOACLSA-N 2 2 362.489 4.364 20 0 FIADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccc(Cl)cc4)n3)CC[C@H]21 ZINC000533025541 1098678030 /nfs/dbraw/zinc/67/80/30/1098678030.db2.gz MLSQFAPWYVRILN-MAUKXSAKSA-N 2 2 361.942 4.380 20 0 FIADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccc(Cl)cc4)n3)CC[C@H]21 ZINC000533025541 1098678037 /nfs/dbraw/zinc/67/80/37/1098678037.db2.gz MLSQFAPWYVRILN-MAUKXSAKSA-N 2 2 361.942 4.380 20 0 FIADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccc(Cl)cc4)n3)CC[C@H]21 ZINC000533025541 1098678049 /nfs/dbraw/zinc/67/80/49/1098678049.db2.gz MLSQFAPWYVRILN-MAUKXSAKSA-N 2 2 361.942 4.380 20 0 FIADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccc(Cl)cc4)n3)CC[C@H]21 ZINC000533025541 1098678064 /nfs/dbraw/zinc/67/80/64/1098678064.db2.gz MLSQFAPWYVRILN-MAUKXSAKSA-N 2 2 361.942 4.380 20 0 FIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)[nH+]1 ZINC000436275625 1098901389 /nfs/dbraw/zinc/90/13/89/1098901389.db2.gz PGLHTZKQASXVMG-XZOQPEGZSA-N 2 2 359.517 4.475 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533440964 1099066147 /nfs/dbraw/zinc/06/61/47/1099066147.db2.gz TZALUKIBRLRQBU-UXHICEINSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533440964 1099066159 /nfs/dbraw/zinc/06/61/59/1099066159.db2.gz TZALUKIBRLRQBU-UXHICEINSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533440964 1099066173 /nfs/dbraw/zinc/06/61/73/1099066173.db2.gz TZALUKIBRLRQBU-UXHICEINSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533440964 1099066186 /nfs/dbraw/zinc/06/61/86/1099066186.db2.gz TZALUKIBRLRQBU-UXHICEINSA-N 2 2 364.537 4.230 20 0 FIADLP Cc1cc(C)c(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(C)[nH+]1 ZINC000455466604 1099238556 /nfs/dbraw/zinc/23/85/56/1099238556.db2.gz FOHCTXZUDUZPKY-UHFFFAOYSA-N 2 2 366.509 4.314 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)[nH+]1 ZINC000455471414 1099243432 /nfs/dbraw/zinc/24/34/32/1099243432.db2.gz IPNAMEVXLXYGRY-PKOBYXMFSA-N 2 2 358.530 4.125 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)[nH+]1 ZINC000455471414 1099243442 /nfs/dbraw/zinc/24/34/42/1099243442.db2.gz IPNAMEVXLXYGRY-PKOBYXMFSA-N 2 2 358.530 4.125 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000455494607 1099257516 /nfs/dbraw/zinc/25/75/16/1099257516.db2.gz DWVFRNUHYNUKTP-PKOBYXMFSA-N 2 2 372.900 4.227 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000455494607 1099257525 /nfs/dbraw/zinc/25/75/25/1099257525.db2.gz DWVFRNUHYNUKTP-PKOBYXMFSA-N 2 2 372.900 4.227 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC000455507276 1099290594 /nfs/dbraw/zinc/29/05/94/1099290594.db2.gz YYOVFZSJWSFMNJ-UZLBHIALSA-N 2 2 366.509 4.039 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC000455507276 1099290604 /nfs/dbraw/zinc/29/06/04/1099290604.db2.gz YYOVFZSJWSFMNJ-UZLBHIALSA-N 2 2 366.509 4.039 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c(C)[nH+]1 ZINC000455524495 1099300826 /nfs/dbraw/zinc/30/08/26/1099300826.db2.gz OLGAGWKKDQQMAO-YLJYHZDGSA-N 2 2 354.498 4.128 20 0 FIADLP C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722828 1099943531 /nfs/dbraw/zinc/94/35/31/1099943531.db2.gz USSRHAMHFFVMLT-UYAOXDASSA-N 2 2 350.510 4.004 20 0 FIADLP C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722828 1099943535 /nfs/dbraw/zinc/94/35/35/1099943535.db2.gz USSRHAMHFFVMLT-UYAOXDASSA-N 2 2 350.510 4.004 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccsc3)C2)CC1 ZINC000437703801 1100112495 /nfs/dbraw/zinc/11/24/95/1100112495.db2.gz WRWRJWWLQZPMQM-QGZVFWFLSA-N 2 2 358.555 4.082 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccsc3)C2)CC1 ZINC000437703801 1100112502 /nfs/dbraw/zinc/11/25/02/1100112502.db2.gz WRWRJWWLQZPMQM-QGZVFWFLSA-N 2 2 358.555 4.082 20 0 FIADLP CCCOc1c(Cl)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OCC ZINC000536663131 1100135797 /nfs/dbraw/zinc/13/57/97/1100135797.db2.gz YCXSXGBSFPFGJX-DOTOQJQBSA-N 2 2 368.949 4.442 20 0 FIADLP CCCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OCC ZINC000536663131 1100135801 /nfs/dbraw/zinc/13/58/01/1100135801.db2.gz YCXSXGBSFPFGJX-DOTOQJQBSA-N 2 2 368.949 4.442 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000536663131 1100135805 /nfs/dbraw/zinc/13/58/05/1100135805.db2.gz YCXSXGBSFPFGJX-DOTOQJQBSA-N 2 2 368.949 4.442 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000536663131 1100135810 /nfs/dbraw/zinc/13/58/10/1100135810.db2.gz YCXSXGBSFPFGJX-DOTOQJQBSA-N 2 2 368.949 4.442 20 0 FIADLP CCCOc1c(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OCC ZINC000536663133 1100137305 /nfs/dbraw/zinc/13/73/05/1100137305.db2.gz YCXSXGBSFPFGJX-RDJZCZTQSA-N 2 2 368.949 4.442 20 0 FIADLP CCCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OCC ZINC000536663133 1100137317 /nfs/dbraw/zinc/13/73/17/1100137317.db2.gz YCXSXGBSFPFGJX-RDJZCZTQSA-N 2 2 368.949 4.442 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000536663133 1100137329 /nfs/dbraw/zinc/13/73/29/1100137329.db2.gz YCXSXGBSFPFGJX-RDJZCZTQSA-N 2 2 368.949 4.442 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000536663133 1100137336 /nfs/dbraw/zinc/13/73/36/1100137336.db2.gz YCXSXGBSFPFGJX-RDJZCZTQSA-N 2 2 368.949 4.442 20 0 FIADLP CCOc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc(Cl)c1OC ZINC000536678301 1100171156 /nfs/dbraw/zinc/17/11/56/1100171156.db2.gz POYKYUNGYOHYRM-INIZCTEOSA-N 2 2 354.922 4.054 20 0 FIADLP CCOc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc(Cl)c1OC ZINC000536678301 1100171168 /nfs/dbraw/zinc/17/11/68/1100171168.db2.gz POYKYUNGYOHYRM-INIZCTEOSA-N 2 2 354.922 4.054 20 0 FIADLP CCOc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc(Cl)c1OC ZINC000536678301 1100171179 /nfs/dbraw/zinc/17/11/79/1100171179.db2.gz POYKYUNGYOHYRM-INIZCTEOSA-N 2 2 354.922 4.054 20 0 FIADLP CCOc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc(Cl)c1OC ZINC000536678301 1100171196 /nfs/dbraw/zinc/17/11/96/1100171196.db2.gz POYKYUNGYOHYRM-INIZCTEOSA-N 2 2 354.922 4.054 20 0 FIADLP CCOc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)ccc1O ZINC000459440963 1100177657 /nfs/dbraw/zinc/17/76/57/1100177657.db2.gz AZNLPVWJDFUBJX-FQEVSTJZSA-N 2 2 365.477 4.135 20 0 FIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000536694924 1100197165 /nfs/dbraw/zinc/19/71/65/1100197165.db2.gz CYUHTILDVDHXQX-SFHVURJKSA-N 2 2 353.485 4.051 20 0 FIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000536694924 1100197175 /nfs/dbraw/zinc/19/71/75/1100197175.db2.gz CYUHTILDVDHXQX-SFHVURJKSA-N 2 2 353.485 4.051 20 0 FIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000536694924 1100197185 /nfs/dbraw/zinc/19/71/85/1100197185.db2.gz CYUHTILDVDHXQX-SFHVURJKSA-N 2 2 353.485 4.051 20 0 FIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000536694924 1100197195 /nfs/dbraw/zinc/19/71/95/1100197195.db2.gz CYUHTILDVDHXQX-SFHVURJKSA-N 2 2 353.485 4.051 20 0 FIADLP C[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1nc2ccccc2n1C ZINC000379622603 1100222301 /nfs/dbraw/zinc/22/23/01/1100222301.db2.gz GXWSMLNUHCTNIK-QZTJIDSGSA-N 2 2 350.510 4.135 20 0 FIADLP C[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1nc2ccccc2n1C ZINC000379622603 1100222312 /nfs/dbraw/zinc/22/23/12/1100222312.db2.gz GXWSMLNUHCTNIK-QZTJIDSGSA-N 2 2 350.510 4.135 20 0 FIADLP CCn1nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c2ccccc21 ZINC000379621833 1100222849 /nfs/dbraw/zinc/22/28/49/1100222849.db2.gz FWSAYGOVMMMLCT-UYAOXDASSA-N 2 2 362.521 4.199 20 0 FIADLP CCn1nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c2ccccc21 ZINC000379621833 1100222856 /nfs/dbraw/zinc/22/28/56/1100222856.db2.gz FWSAYGOVMMMLCT-UYAOXDASSA-N 2 2 362.521 4.199 20 0 FIADLP C[C@H](CC[NH2+][C@@H](C)c1nc2ccccc2n1C)[N@H+](C)Cc1ccccc1 ZINC000379622601 1100224170 /nfs/dbraw/zinc/22/41/70/1100224170.db2.gz GXWSMLNUHCTNIK-MSOLQXFVSA-N 2 2 350.510 4.135 20 0 FIADLP C[C@H](CC[NH2+][C@@H](C)c1nc2ccccc2n1C)[N@@H+](C)Cc1ccccc1 ZINC000379622601 1100224181 /nfs/dbraw/zinc/22/41/81/1100224181.db2.gz GXWSMLNUHCTNIK-MSOLQXFVSA-N 2 2 350.510 4.135 20 0 FIADLP Cc1cc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)ccc1Br ZINC000425911905 1100232443 /nfs/dbraw/zinc/23/24/43/1100232443.db2.gz CCISCVSMZJZQFM-UHFFFAOYSA-N 2 2 362.315 4.224 20 0 FIADLP Brc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000536731512 1100239081 /nfs/dbraw/zinc/23/90/81/1100239081.db2.gz LXELTNMHPOLQHT-WMLDXEAASA-N 2 2 360.299 4.429 20 0 FIADLP Brc1ccc2c(c1)[C@H]([N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000536731512 1100239092 /nfs/dbraw/zinc/23/90/92/1100239092.db2.gz LXELTNMHPOLQHT-WMLDXEAASA-N 2 2 360.299 4.429 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000459520234 1100265988 /nfs/dbraw/zinc/26/59/88/1100265988.db2.gz GGMCYRPOYIDWNJ-UHFFFAOYSA-N 2 2 352.444 4.459 20 0 FIADLP CC[C@@H](C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000425924216 1100266192 /nfs/dbraw/zinc/26/61/92/1100266192.db2.gz SXAKGTYOVSDQJS-SFTDATJTSA-N 2 2 357.929 4.483 20 0 FIADLP C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000459562230 1100300883 /nfs/dbraw/zinc/30/08/83/1100300883.db2.gz NQFSOOFLOMFTFQ-WWPOYFSUSA-N 2 2 359.473 4.149 20 0 FIADLP CC[N@@H+](Cc1cc2c(cccc2F)[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000438111061 1100436336 /nfs/dbraw/zinc/43/63/36/1100436336.db2.gz SNNGOTWYJDDQGF-UHFFFAOYSA-N 2 2 366.484 4.441 20 0 FIADLP CC[N@H+](Cc1cc2c(cccc2F)[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000438111061 1100436342 /nfs/dbraw/zinc/43/63/42/1100436342.db2.gz SNNGOTWYJDDQGF-UHFFFAOYSA-N 2 2 366.484 4.441 20 0 FIADLP Fc1ccc(COc2cccc(C[NH+]3CCC([NH+]4CCCC4)CC3)c2)cc1 ZINC000506418172 1100985431 /nfs/dbraw/zinc/98/54/31/1100985431.db2.gz WPBMFNNJSQDVNR-UHFFFAOYSA-N 2 2 368.496 4.465 20 0 FIADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000414968472 1101024029 /nfs/dbraw/zinc/02/40/29/1101024029.db2.gz IEFBIPVKXCJZKA-OAHLLOKOSA-N 2 2 369.456 4.307 20 0 FIADLP c1ccc(COc2cccc(C[NH+]3CCC([NH+]4CCCC4)CC3)c2)cc1 ZINC000506461047 1101074933 /nfs/dbraw/zinc/07/49/33/1101074933.db2.gz ZPFWQGLJYHXGHN-UHFFFAOYSA-N 2 2 350.506 4.326 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(-c3ccccc3)no2)C1 ZINC000506475065 1101109339 /nfs/dbraw/zinc/10/93/39/1101109339.db2.gz RWPXPQOOUAKRGX-RTBURBONSA-N 2 2 353.510 4.428 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(-c3ccccc3)no2)C1 ZINC000506475065 1101109343 /nfs/dbraw/zinc/10/93/43/1101109343.db2.gz RWPXPQOOUAKRGX-RTBURBONSA-N 2 2 353.510 4.428 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000506475065 1101109349 /nfs/dbraw/zinc/10/93/49/1101109349.db2.gz RWPXPQOOUAKRGX-RTBURBONSA-N 2 2 353.510 4.428 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000506475065 1101109355 /nfs/dbraw/zinc/10/93/55/1101109355.db2.gz RWPXPQOOUAKRGX-RTBURBONSA-N 2 2 353.510 4.428 20 0 FIADLP COc1ccc(CC[C@@H](C)[NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)cc1O ZINC000426413695 1101516702 /nfs/dbraw/zinc/51/67/02/1101516702.db2.gz XUWBDZWGKZHYMQ-WIYYLYMNSA-N 2 2 368.521 4.149 20 0 FIADLP CCOc1cccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1OC(F)F ZINC000518763357 1101519211 /nfs/dbraw/zinc/51/92/11/1101519211.db2.gz DMGYMXIIAKUNRS-HOTGVXAUSA-N 2 2 370.484 4.144 20 0 FIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000518766257 1101525142 /nfs/dbraw/zinc/52/51/42/1101525142.db2.gz PKTFHHMYWZIAOP-ZDUSSCGKSA-N 2 2 360.255 4.084 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666112530 1101599731 /nfs/dbraw/zinc/59/97/31/1101599731.db2.gz UBYZXNBZHVMNTD-JXFKEZNVSA-N 2 2 369.940 4.408 20 0 FIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CC(C)(C)c4ccccc43)[nH+]c2)C1 ZINC000537455487 1101821830 /nfs/dbraw/zinc/82/18/30/1101821830.db2.gz DHYOSSOHEGRZRJ-XLIONFOSSA-N 2 2 350.510 4.056 20 0 FIADLP CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(OC)cc1 ZINC000537486561 1102169532 /nfs/dbraw/zinc/16/95/32/1102169532.db2.gz IQHAHJSBXQDKHJ-OAQYLSRUSA-N 2 2 368.525 4.184 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000120915067 1102279888 /nfs/dbraw/zinc/27/98/88/1102279888.db2.gz IQNQDYNAIMXSII-INIZCTEOSA-N 3 2 366.484 4.232 20 0 FIADLP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537961622 1102296057 /nfs/dbraw/zinc/29/60/57/1102296057.db2.gz RKSFULZDAIMOQE-HKUYNNGSSA-N 2 2 364.468 4.331 20 0 FIADLP Cn1c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)nc2cc(Cl)ccc21 ZINC000550794455 1102320169 /nfs/dbraw/zinc/32/01/69/1102320169.db2.gz HBNXNOCCAWVVJJ-YLJYHZDGSA-N 2 2 368.912 4.152 20 0 FIADLP Cn1c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)nc2cc(Cl)ccc21 ZINC000550794455 1102320183 /nfs/dbraw/zinc/32/01/83/1102320183.db2.gz HBNXNOCCAWVVJJ-YLJYHZDGSA-N 2 2 368.912 4.152 20 0 FIADLP c1cn(Cc2ccc(C[NH2+][C@H]3CCCOc4cc5c(cc43)CCC5)cc2)c[nH+]1 ZINC000121887856 1102493775 /nfs/dbraw/zinc/49/37/75/1102493775.db2.gz JVYIKIUJLXDZTN-QHCPKHFHSA-N 2 2 373.500 4.424 20 0 FIADLP c1cn(-c2ccc(C[NH+]3CCC(OCC4CCCCC4)CC3)cc2)c[nH+]1 ZINC000532572840 1102494971 /nfs/dbraw/zinc/49/49/71/1102494971.db2.gz ULLJUJKNJDMBMJ-UHFFFAOYSA-N 2 2 353.510 4.434 20 0 FIADLP COc1ccc2c(c1)C[C@H]([NH2+][C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1)C2 ZINC001168230138 1102551260 /nfs/dbraw/zinc/55/12/60/1102551260.db2.gz IEAUMAYTARRKSK-GMKZXUHWSA-N 2 2 358.485 4.193 20 0 FIADLP c1c2ccccc2sc1CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000550881884 1102653246 /nfs/dbraw/zinc/65/32/46/1102653246.db2.gz FLTXPBHVJPRNEJ-UHFFFAOYSA-N 2 2 351.519 4.093 20 0 FIADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3coc4ccccc34)CC2)cc1 ZINC000550226756 1102786300 /nfs/dbraw/zinc/78/63/00/1102786300.db2.gz FLAHDLPXOVXMLI-UHFFFAOYSA-N 2 2 352.453 4.369 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cn1 ZINC000551394635 1103176563 /nfs/dbraw/zinc/17/65/63/1103176563.db2.gz KHSLHNBYJBHNME-HNAYVOBHSA-N 2 2 363.427 4.101 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cn1 ZINC000551394635 1103176576 /nfs/dbraw/zinc/17/65/76/1103176576.db2.gz KHSLHNBYJBHNME-HNAYVOBHSA-N 2 2 363.427 4.101 20 0 FIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000507370354 1103344171 /nfs/dbraw/zinc/34/41/71/1103344171.db2.gz LUKLVECEROFNFH-UHFFFAOYSA-N 2 2 365.521 4.244 20 0 FIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000507370354 1103344186 /nfs/dbraw/zinc/34/41/86/1103344186.db2.gz LUKLVECEROFNFH-UHFFFAOYSA-N 2 2 365.521 4.244 20 0 FIADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000519673807 1103771963 /nfs/dbraw/zinc/77/19/63/1103771963.db2.gz QPGBAZWXVXIPHM-QFIPXVFZSA-N 2 2 361.489 4.452 20 0 FIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)Cc2ccccc2F)CCOCC1)c1ccccc1 ZINC000188047356 1103807592 /nfs/dbraw/zinc/80/75/92/1103807592.db2.gz NMFZWHPXQDWGPK-RBUKOAKNSA-N 2 2 370.512 4.246 20 0 FIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)sc2Cl)[C@H](C)C1 ZINC000537766441 1103924249 /nfs/dbraw/zinc/92/42/49/1103924249.db2.gz CBNAEQQIFHKUHR-OCCSQVGLSA-N 2 2 365.370 4.282 20 0 FIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)sc2Cl)[C@H](C)C1 ZINC000537766441 1103924251 /nfs/dbraw/zinc/92/42/51/1103924251.db2.gz CBNAEQQIFHKUHR-OCCSQVGLSA-N 2 2 365.370 4.282 20 0 FIADLP CCC[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000538207437 1104049375 /nfs/dbraw/zinc/04/93/75/1104049375.db2.gz FBZJYSNFJQFOOX-JOCHJYFZSA-N 2 2 356.485 4.388 20 0 FIADLP COC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000520281458 1104222244 /nfs/dbraw/zinc/22/22/44/1104222244.db2.gz YBTLTAZNNQFNKF-JOCHJYFZSA-N 2 2 372.940 4.324 20 0 FIADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000441404462 1104345649 /nfs/dbraw/zinc/34/56/49/1104345649.db2.gz NRVOTVCSZARRPC-KNQAVFIVSA-N 2 2 354.538 4.263 20 0 FIADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000441404462 1104345660 /nfs/dbraw/zinc/34/56/60/1104345660.db2.gz NRVOTVCSZARRPC-KNQAVFIVSA-N 2 2 354.538 4.263 20 0 FIADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000441404462 1104345669 /nfs/dbraw/zinc/34/56/69/1104345669.db2.gz NRVOTVCSZARRPC-KNQAVFIVSA-N 2 2 354.538 4.263 20 0 FIADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000441404462 1104345680 /nfs/dbraw/zinc/34/56/80/1104345680.db2.gz NRVOTVCSZARRPC-KNQAVFIVSA-N 2 2 354.538 4.263 20 0 FIADLP FC(F)(F)c1ccc(OCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000536371915 1104833284 /nfs/dbraw/zinc/83/32/84/1104833284.db2.gz SQCHIWFOWLFZOL-UHFFFAOYSA-N 2 2 365.399 4.056 20 0 FIADLP Brc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)s1 ZINC000190575935 1104936064 /nfs/dbraw/zinc/93/60/64/1104936064.db2.gz PJRQBDRFYFYSBD-INIZCTEOSA-N 2 2 355.345 4.178 20 0 FIADLP COc1ccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC001168006323 1105106764 /nfs/dbraw/zinc/10/67/64/1105106764.db2.gz NCXPGAJQBRFFLZ-ROUUACIJSA-N 2 2 368.521 4.235 20 0 FIADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1OCCC ZINC000427852284 1105295010 /nfs/dbraw/zinc/29/50/10/1105295010.db2.gz LUAPZARVOPOOKO-SJLPKXTDSA-N 2 2 357.498 4.126 20 0 FIADLP Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000427876925 1105299945 /nfs/dbraw/zinc/29/99/45/1105299945.db2.gz RYJNIRPUHCCSMN-CZUORRHYSA-N 2 2 368.481 4.128 20 0 FIADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)s1 ZINC000390614475 1106738011 /nfs/dbraw/zinc/73/80/11/1106738011.db2.gz XSLLDLRIDZTBCF-FXAWDEMLSA-N 2 2 358.551 4.307 20 0 FIADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)s1 ZINC000390614475 1106738019 /nfs/dbraw/zinc/73/80/19/1106738019.db2.gz XSLLDLRIDZTBCF-FXAWDEMLSA-N 2 2 358.551 4.307 20 0 FIADLP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390696292 1106752889 /nfs/dbraw/zinc/75/28/89/1106752889.db2.gz RPWLRPICABKNOB-WIYYLYMNSA-N 2 2 370.562 4.350 20 0 FIADLP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390696292 1106752902 /nfs/dbraw/zinc/75/29/02/1106752902.db2.gz RPWLRPICABKNOB-WIYYLYMNSA-N 2 2 370.562 4.350 20 0 FIADLP C[C@@H]1CC([N@@H+]2CCC[C@H]2c2cnccn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065257 1106903195 /nfs/dbraw/zinc/90/31/95/1106903195.db2.gz VFHJIHIGCNZTAS-HMFYCAOWSA-N 2 2 350.510 4.055 20 0 FIADLP C[C@@H]1CC([N@H+]2CCC[C@H]2c2cnccn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065257 1106903199 /nfs/dbraw/zinc/90/31/99/1106903199.db2.gz VFHJIHIGCNZTAS-HMFYCAOWSA-N 2 2 350.510 4.055 20 0 FIADLP CC(C)(C)n1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c(-c2ccccc2Cl)n1 ZINC000530245105 1106924802 /nfs/dbraw/zinc/92/48/02/1106924802.db2.gz UHOPKULTZBOMEJ-GOSISDBHSA-N 2 2 372.944 4.333 20 0 FIADLP Brc1ccc2c(c1)[nH+]ccc2N1CCC(n2cc[nH+]c2)CC1 ZINC000301313593 1106988270 /nfs/dbraw/zinc/98/82/70/1106988270.db2.gz KHBHWUREESGKCQ-UHFFFAOYSA-N 2 2 357.255 4.035 20 0 FIADLP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301797000 1107155888 /nfs/dbraw/zinc/15/58/88/1107155888.db2.gz QHFRKUPNRCNBPH-OAHLLOKOSA-N 2 2 359.351 4.306 20 0 FIADLP CC(C)[N@H+](C)Cc1ccccc1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301840708 1107178108 /nfs/dbraw/zinc/17/81/08/1107178108.db2.gz OYNXPQLOSJMPMH-UHFFFAOYSA-N 2 2 366.513 4.034 20 0 FIADLP CC(C)[N@@H+](C)Cc1ccccc1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301840708 1107178114 /nfs/dbraw/zinc/17/81/14/1107178114.db2.gz OYNXPQLOSJMPMH-UHFFFAOYSA-N 2 2 366.513 4.034 20 0 FIADLP Cc1nc(NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c(C)[nH+]1 ZINC000301876457 1107194516 /nfs/dbraw/zinc/19/45/16/1107194516.db2.gz KKTWXAZWZVDRRX-QAPCUYQASA-N 2 2 362.880 4.299 20 0 FIADLP Cc1nc(NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c(C)[nH+]1 ZINC000301876457 1107194523 /nfs/dbraw/zinc/19/45/23/1107194523.db2.gz KKTWXAZWZVDRRX-QAPCUYQASA-N 2 2 362.880 4.299 20 0 FIADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNc1nc(N)c2ccccc2[nH+]1 ZINC000301914254 1107211053 /nfs/dbraw/zinc/21/10/53/1107211053.db2.gz UULWLCYBKSVAPA-UHFFFAOYSA-N 2 2 373.460 4.049 20 0 FIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1nc(N)c2ccccc2[nH+]1 ZINC000301914254 1107211060 /nfs/dbraw/zinc/21/10/60/1107211060.db2.gz UULWLCYBKSVAPA-UHFFFAOYSA-N 2 2 373.460 4.049 20 0 FIADLP Brc1cccc2c(N3CCC[N@@H+](C4CCCC4)CC3)cc[nH+]c12 ZINC000523087730 1107562981 /nfs/dbraw/zinc/56/29/81/1107562981.db2.gz WZEJAQGQABZBJI-UHFFFAOYSA-N 2 2 374.326 4.452 20 0 FIADLP Brc1cccc2c(N3CCC[N@H+](C4CCCC4)CC3)cc[nH+]c12 ZINC000523087730 1107563003 /nfs/dbraw/zinc/56/30/03/1107563003.db2.gz WZEJAQGQABZBJI-UHFFFAOYSA-N 2 2 374.326 4.452 20 0 FIADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475563927 1107739669 /nfs/dbraw/zinc/73/96/69/1107739669.db2.gz HTAYVJBYVKVGMA-UHFFFAOYSA-N 2 2 352.526 4.102 20 0 FIADLP Clc1sc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1Br ZINC000475569677 1107758828 /nfs/dbraw/zinc/75/88/28/1107758828.db2.gz AZEZDCTWKGXETQ-UHFFFAOYSA-N 2 2 363.752 4.271 20 0 FIADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000531430340 1107876549 /nfs/dbraw/zinc/87/65/49/1107876549.db2.gz ZJEOHOBDZVOGIU-AEFFLSMTSA-N 2 2 358.555 4.195 20 0 FIADLP CCc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000428366707 1107900069 /nfs/dbraw/zinc/90/00/69/1107900069.db2.gz YWLBLOUMVNMRIY-WOJBJXKFSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1nc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000428366707 1107900073 /nfs/dbraw/zinc/90/00/73/1107900073.db2.gz YWLBLOUMVNMRIY-WOJBJXKFSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000428366707 1107900078 /nfs/dbraw/zinc/90/00/78/1107900078.db2.gz YWLBLOUMVNMRIY-WOJBJXKFSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000428366707 1107900080 /nfs/dbraw/zinc/90/00/80/1107900080.db2.gz YWLBLOUMVNMRIY-WOJBJXKFSA-N 2 2 353.510 4.032 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl)CCC2 ZINC000531733138 1108102959 /nfs/dbraw/zinc/10/29/59/1108102959.db2.gz PLNOHRWOLOHHMQ-GOEBONIOSA-N 2 2 374.916 4.038 20 0 FIADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2sccc21 ZINC000453067969 1108120597 /nfs/dbraw/zinc/12/05/97/1108120597.db2.gz SKIBRXBXDUITNJ-OXQOHEQNSA-N 2 2 356.535 4.309 20 0 FIADLP CC1(C)Cc2cccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c2O1 ZINC000523391060 1108174956 /nfs/dbraw/zinc/17/49/56/1108174956.db2.gz YXTXOIIQVYWXKG-UHFFFAOYSA-N 2 2 364.533 4.197 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1)CCC2 ZINC000453113223 1108180718 /nfs/dbraw/zinc/18/07/18/1108180718.db2.gz DYXWIHZNNXHKPL-IHPCNDPISA-N 2 2 373.928 4.102 20 0 FIADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453178834 1108222842 /nfs/dbraw/zinc/22/28/42/1108222842.db2.gz TWKVYAPCONHUGX-RTBURBONSA-N 2 2 354.542 4.106 20 0 FIADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453178834 1108222854 /nfs/dbraw/zinc/22/28/54/1108222854.db2.gz TWKVYAPCONHUGX-RTBURBONSA-N 2 2 354.542 4.106 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCCC2 ZINC000453194191 1108262173 /nfs/dbraw/zinc/26/21/73/1108262173.db2.gz ASZDBSYRLLSYGP-DOTOQJQBSA-N 2 2 360.299 4.018 20 0 FIADLP Clc1ccccc1C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000453205876 1108276852 /nfs/dbraw/zinc/27/68/52/1108276852.db2.gz TXUNXMNLIDVGLG-AEFFLSMTSA-N 2 2 357.910 4.486 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(-c2ccccc2)n1C ZINC000453213640 1108283301 /nfs/dbraw/zinc/28/33/01/1108283301.db2.gz IWKVHGZWPJTBGZ-PZJWPPBQSA-N 2 2 374.532 4.260 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc(-c2ccccc2)n1C ZINC000453213640 1108283308 /nfs/dbraw/zinc/28/33/08/1108283308.db2.gz IWKVHGZWPJTBGZ-PZJWPPBQSA-N 2 2 374.532 4.260 20 0 FIADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)cc1 ZINC000453305319 1108394084 /nfs/dbraw/zinc/39/40/84/1108394084.db2.gz QVFPNYISCMVJBV-GOSISDBHSA-N 2 2 365.521 4.350 20 0 FIADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)cc1 ZINC000453305319 1108394100 /nfs/dbraw/zinc/39/41/00/1108394100.db2.gz QVFPNYISCMVJBV-GOSISDBHSA-N 2 2 365.521 4.350 20 0 FIADLP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453319019 1108410020 /nfs/dbraw/zinc/41/00/20/1108410020.db2.gz CJGRHKMIYZFKRB-LLBVYWAGSA-N 2 2 371.569 4.414 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C3CC3)C3CCCC3)CC2)cc1 ZINC000453337696 1108430074 /nfs/dbraw/zinc/43/00/74/1108430074.db2.gz ZSYFOJXTDQVKHA-HSZRJFAPSA-N 2 2 369.553 4.168 20 0 FIADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCCn3cc[nH+]c3)s2)cc1 ZINC000531957259 1108446908 /nfs/dbraw/zinc/44/69/08/1108446908.db2.gz PXRSGWJJMDODMZ-OAHLLOKOSA-N 2 2 370.522 4.455 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ncc(C(F)(F)F)cc1Cl ZINC000925167459 1108659555 /nfs/dbraw/zinc/65/95/55/1108659555.db2.gz CJTYKZQGNRFRQH-MNOVXSKESA-N 2 2 358.795 4.179 20 0 FIADLP COc1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c(OC(F)F)c1 ZINC000524457248 1109019932 /nfs/dbraw/zinc/01/99/32/1109019932.db2.gz WNASIZIQIRNTST-UHFFFAOYSA-N 2 2 356.457 4.041 20 0 FIADLP COc1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c(OC(F)F)c1 ZINC000524457248 1109019940 /nfs/dbraw/zinc/01/99/40/1109019940.db2.gz WNASIZIQIRNTST-UHFFFAOYSA-N 2 2 356.457 4.041 20 0 FIADLP CC(C)[C@H](COCc1ccccc1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000446742638 1109326429 /nfs/dbraw/zinc/32/64/29/1109326429.db2.gz GZRWSMBRARQDLR-QHCPKHFHSA-N 2 2 363.505 4.262 20 0 FIADLP COc1ccc2c(c1)[C@H]([NH2+]CCCCNc1cccc[nH+]1)CCCS2 ZINC000446826485 1109351976 /nfs/dbraw/zinc/35/19/76/1109351976.db2.gz NZVUXTOARRBTFO-GOSISDBHSA-N 2 2 357.523 4.499 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000447075811 1109436572 /nfs/dbraw/zinc/43/65/72/1109436572.db2.gz LGESSBUGFFSDCN-UHFFFAOYSA-N 2 2 352.478 4.222 20 0 FIADLP c1csc([C@H]2CCC[NH+]2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000429704932 1109449727 /nfs/dbraw/zinc/44/97/27/1109449727.db2.gz BXHFQUSCRBXNGD-VQTJNVASSA-N 2 2 356.535 4.176 20 0 FIADLP c1csc([C@H]2CCC[NH+]2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000429704932 1109449730 /nfs/dbraw/zinc/44/97/30/1109449730.db2.gz BXHFQUSCRBXNGD-VQTJNVASSA-N 2 2 356.535 4.176 20 0 FIADLP c1csc([C@H]2CCC[N@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000429704932 1109449733 /nfs/dbraw/zinc/44/97/33/1109449733.db2.gz BXHFQUSCRBXNGD-VQTJNVASSA-N 2 2 356.535 4.176 20 0 FIADLP c1csc([C@H]2CCC[N@@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000429704932 1109449735 /nfs/dbraw/zinc/44/97/35/1109449735.db2.gz BXHFQUSCRBXNGD-VQTJNVASSA-N 2 2 356.535 4.176 20 0 FIADLP OC(C[NH+]1CCC[C@H]1c1ccsc1)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000447130597 1109454399 /nfs/dbraw/zinc/45/43/99/1109454399.db2.gz ZUZYWFFACTZHGC-OALUTQOASA-N 2 2 362.564 4.145 20 0 FIADLP OC(C[NH+]1CCC[C@H]1c1ccsc1)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000447130597 1109454402 /nfs/dbraw/zinc/45/44/02/1109454402.db2.gz ZUZYWFFACTZHGC-OALUTQOASA-N 2 2 362.564 4.145 20 0 FIADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc21 ZINC000447529411 1109563716 /nfs/dbraw/zinc/56/37/16/1109563716.db2.gz LYWUEOSIAYFYIT-ZEQRLZLVSA-N 2 2 364.533 4.493 20 0 FIADLP C[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000447895986 1109670642 /nfs/dbraw/zinc/67/06/42/1109670642.db2.gz FJXUTMXDLYMCIC-WMZOPIPTSA-N 2 2 357.567 4.441 20 0 FIADLP C[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000447895986 1109670645 /nfs/dbraw/zinc/67/06/45/1109670645.db2.gz FJXUTMXDLYMCIC-WMZOPIPTSA-N 2 2 357.567 4.441 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000447941970 1109677012 /nfs/dbraw/zinc/67/70/12/1109677012.db2.gz LUVQMLWDLAJFAB-TZIWHRDSSA-N 2 2 360.505 4.015 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000447941970 1109677014 /nfs/dbraw/zinc/67/70/14/1109677014.db2.gz LUVQMLWDLAJFAB-TZIWHRDSSA-N 2 2 360.505 4.015 20 0 FIADLP Fc1c(Br)ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1F ZINC000527668855 1109800147 /nfs/dbraw/zinc/80/01/47/1109800147.db2.gz DLJAIXNROGGDKK-UHFFFAOYSA-N 2 2 373.285 4.224 20 0 FIADLP Fc1cc2c(cc1Cl)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000527853431 1109838921 /nfs/dbraw/zinc/83/89/21/1109838921.db2.gz UKQCDHCXXUWNJJ-NRFANRHFSA-N 2 2 374.887 4.088 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc(-c2ccccc2)n(C)n1 ZINC000527868384 1109844060 /nfs/dbraw/zinc/84/40/60/1109844060.db2.gz UAIYNKXZOLNXBZ-INIZCTEOSA-N 2 2 366.484 4.139 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527882322 1109849152 /nfs/dbraw/zinc/84/91/52/1109849152.db2.gz AKGQNHAJUKCHPV-CMKODMSKSA-N 2 2 366.553 4.391 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527882322 1109849157 /nfs/dbraw/zinc/84/91/57/1109849157.db2.gz AKGQNHAJUKCHPV-CMKODMSKSA-N 2 2 366.553 4.391 20 0 FIADLP Fc1cccc(F)c1-c1ncc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000449015742 1109954360 /nfs/dbraw/zinc/95/43/60/1109954360.db2.gz MDGSYVCGTNLHGH-GFCCVEGCSA-N 2 2 360.433 4.191 20 0 FIADLP Fc1cccc(F)c1-c1ncc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000449015742 1109954361 /nfs/dbraw/zinc/95/43/61/1109954361.db2.gz MDGSYVCGTNLHGH-GFCCVEGCSA-N 2 2 360.433 4.191 20 0 FIADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449007590 1109957006 /nfs/dbraw/zinc/95/70/06/1109957006.db2.gz FBNOOLWWGVEVDM-UHFFFAOYSA-N 2 2 351.466 4.004 20 0 FIADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449007590 1109957007 /nfs/dbraw/zinc/95/70/07/1109957007.db2.gz FBNOOLWWGVEVDM-UHFFFAOYSA-N 2 2 351.466 4.004 20 0 FIADLP c1nc(CCc2ccccc2)sc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000449026354 1109958965 /nfs/dbraw/zinc/95/89/65/1109958965.db2.gz FNYXRIJZELELSJ-HXUWFJFHSA-N 2 2 369.578 4.236 20 0 FIADLP c1nc(CCc2ccccc2)sc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000449026354 1109958969 /nfs/dbraw/zinc/95/89/69/1109958969.db2.gz FNYXRIJZELELSJ-HXUWFJFHSA-N 2 2 369.578 4.236 20 0 FIADLP Fc1cccc(F)c1-c1ncc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000449046290 1109966713 /nfs/dbraw/zinc/96/67/13/1109966713.db2.gz KQLACBBNHWWVHQ-CQSZACIVSA-N 2 2 373.428 4.137 20 0 FIADLP Fc1cccc(F)c1-c1ncc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000449046290 1109966715 /nfs/dbraw/zinc/96/67/15/1109966715.db2.gz KQLACBBNHWWVHQ-CQSZACIVSA-N 2 2 373.428 4.137 20 0 FIADLP c1c2cccnc2oc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000449049221 1109967933 /nfs/dbraw/zinc/96/79/33/1109967933.db2.gz RGZIZRMOFDSENN-IRLDBZIGSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cccnc2oc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000449049221 1109967934 /nfs/dbraw/zinc/96/79/34/1109967934.db2.gz RGZIZRMOFDSENN-IRLDBZIGSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cccnc2oc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000449049221 1109967935 /nfs/dbraw/zinc/96/79/35/1109967935.db2.gz RGZIZRMOFDSENN-IRLDBZIGSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cccnc2oc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000449049221 1109967936 /nfs/dbraw/zinc/96/79/36/1109967936.db2.gz RGZIZRMOFDSENN-IRLDBZIGSA-N 2 2 361.489 4.314 20 0 FIADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCc2cn3c([nH+]2)CCCC3)CC1 ZINC000449077665 1109974555 /nfs/dbraw/zinc/97/45/55/1109974555.db2.gz SKNQKYDLSCHAOH-UHFFFAOYSA-N 3 2 360.590 4.031 20 0 FIADLP Fc1cc(C[NH2+]C2CCC(OC3CCCC3)CC2)ccc1-n1cc[nH+]c1 ZINC000449096538 1109979389 /nfs/dbraw/zinc/97/93/89/1109979389.db2.gz INLKKIJJHGGDJA-UHFFFAOYSA-N 2 2 357.473 4.371 20 0 FIADLP C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000449125340 1109980940 /nfs/dbraw/zinc/98/09/40/1109980940.db2.gz JAWPHDQJZROJJL-VGSWGCGISA-N 2 2 363.530 4.440 20 0 FIADLP CC(C)COc1ccccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000449209334 1109996091 /nfs/dbraw/zinc/99/60/91/1109996091.db2.gz PLGOTSCGYWJOQC-IBGZPJMESA-N 2 2 367.537 4.432 20 0 FIADLP COc1cccc(Sc2ccccc2C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000449334129 1110039725 /nfs/dbraw/zinc/03/97/25/1110039725.db2.gz IJCNIJZVGXYQPT-INIZCTEOSA-N 2 2 365.502 4.217 20 0 FIADLP COc1cccc(Sc2ccccc2C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000449334130 1110039756 /nfs/dbraw/zinc/03/97/56/1110039756.db2.gz IJCNIJZVGXYQPT-MRXNPFEDSA-N 2 2 365.502 4.217 20 0 FIADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)n3)CC2)C1 ZINC000449400690 1110057802 /nfs/dbraw/zinc/05/78/02/1110057802.db2.gz JVSOPCSIRFPSBU-PBHICJAKSA-N 2 2 355.448 4.233 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3c(C)cccc3C)CC2)cc1 ZINC000449524313 1110098562 /nfs/dbraw/zinc/09/85/62/1110098562.db2.gz NTZFTZDMBCGGEJ-UHFFFAOYSA-N 2 2 365.521 4.016 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H](C4CC4)C3)CC2)cc1 ZINC000449523001 1110098832 /nfs/dbraw/zinc/09/88/32/1110098832.db2.gz KJMVREKNQBQNBY-NFBKMPQASA-N 2 2 369.553 4.168 20 0 FIADLP Clc1ccc(O[C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)cc1Cl ZINC000538349862 1111106606 /nfs/dbraw/zinc/10/66/06/1111106606.db2.gz QLVMKIMOVPGTIF-HNNXBMFYSA-N 2 2 354.281 4.123 20 0 FIADLP Clc1ccc(O[C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)cc1Cl ZINC000538349862 1111106607 /nfs/dbraw/zinc/10/66/07/1111106607.db2.gz QLVMKIMOVPGTIF-HNNXBMFYSA-N 2 2 354.281 4.123 20 0 FIADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C(C)(C)c1ccccc1 ZINC000538589039 1111211616 /nfs/dbraw/zinc/21/16/16/1111211616.db2.gz TUIHSPOPMCZYFP-SFHVURJKSA-N 2 2 366.553 4.390 20 0 FIADLP Cc1ccc(-c2ncc(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)s2)cc1 ZINC000538750417 1111279804 /nfs/dbraw/zinc/27/98/04/1111279804.db2.gz ZMYAQGKQZNPMIG-SFHVURJKSA-N 2 2 355.551 4.282 20 0 FIADLP Cc1ccc(-c2ncc(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)s2)cc1 ZINC000538750417 1111279810 /nfs/dbraw/zinc/27/98/10/1111279810.db2.gz ZMYAQGKQZNPMIG-SFHVURJKSA-N 2 2 355.551 4.282 20 0 FIADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)s2)cc1 ZINC000538750417 1111279813 /nfs/dbraw/zinc/27/98/13/1111279813.db2.gz ZMYAQGKQZNPMIG-SFHVURJKSA-N 2 2 355.551 4.282 20 0 FIADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)s2)cc1 ZINC000538750417 1111279820 /nfs/dbraw/zinc/27/98/20/1111279820.db2.gz ZMYAQGKQZNPMIG-SFHVURJKSA-N 2 2 355.551 4.282 20 0 FIADLP C[NH+](C)[C@@]1(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CCSC1 ZINC000539218489 1111479475 /nfs/dbraw/zinc/47/94/75/1111479475.db2.gz VYZUAAOGFQUABT-IAGOWNOFSA-N 2 2 358.473 4.183 20 0 FIADLP C[N@@H+]1CC[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@H]2CCC[C@@H]21 ZINC000552067180 1111565659 /nfs/dbraw/zinc/56/56/59/1111565659.db2.gz BGVYEKVBSBEJAD-HKBOAZHASA-N 2 2 350.510 4.171 20 0 FIADLP C[N@H+]1CC[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@H]2CCC[C@@H]21 ZINC000552067180 1111565661 /nfs/dbraw/zinc/56/56/61/1111565661.db2.gz BGVYEKVBSBEJAD-HKBOAZHASA-N 2 2 350.510 4.171 20 0 FIADLP CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000478191072 1111706744 /nfs/dbraw/zinc/70/67/44/1111706744.db2.gz RTCOBHJVJGNQJP-UHFFFAOYSA-N 2 2 371.916 4.200 20 0 FIADLP CC[NH+]1CCC([NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479350430 1111996027 /nfs/dbraw/zinc/99/60/27/1111996027.db2.gz NJBJSESIWUPMBR-KRWDZBQOSA-N 2 2 355.295 4.113 20 0 FIADLP Brc1ccc2c(NCc3c[nH+]c4n3CCCC4)cc[nH+]c2c1 ZINC000553591966 1112020540 /nfs/dbraw/zinc/02/05/40/1112020540.db2.gz CRGHRTWMYYEWQH-UHFFFAOYSA-N 2 2 357.255 4.142 20 0 FIADLP Cc1cc2[nH]c(C[NH2+]C3CC[NH+]([C@H](C)c4ccncc4)CC3)cc2c(C)c1 ZINC000479452086 1112028090 /nfs/dbraw/zinc/02/80/90/1112028090.db2.gz HTSRUMPMNIFHFQ-GOSISDBHSA-N 2 2 362.521 4.495 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000479475992 1112037777 /nfs/dbraw/zinc/03/77/77/1112037777.db2.gz AWSHRXAYJDITPN-KNXBSLHKSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000479475992 1112037781 /nfs/dbraw/zinc/03/77/81/1112037781.db2.gz AWSHRXAYJDITPN-KNXBSLHKSA-N 2 2 353.485 4.098 20 0 FIADLP Cc1cccc2c1CC[C@H]2[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479479606 1112038346 /nfs/dbraw/zinc/03/83/46/1112038346.db2.gz ZONCLIIJEGFAFS-LADRWXRNSA-N 2 2 352.444 4.377 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000479488733 1112040530 /nfs/dbraw/zinc/04/05/30/1112040530.db2.gz KOPOOHSVLRWYPO-DYJCROTPSA-N 2 2 367.512 4.357 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000479488733 1112040532 /nfs/dbraw/zinc/04/05/32/1112040532.db2.gz KOPOOHSVLRWYPO-DYJCROTPSA-N 2 2 367.512 4.357 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000479537269 1112061828 /nfs/dbraw/zinc/06/18/28/1112061828.db2.gz GUWLQQVNUPXZTQ-VZVVXEKASA-N 2 2 369.940 4.481 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000479537269 1112061832 /nfs/dbraw/zinc/06/18/32/1112061832.db2.gz GUWLQQVNUPXZTQ-VZVVXEKASA-N 2 2 369.940 4.481 20 0 FIADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cc(C)nc2OCc2ccccc2)C1 ZINC000553887306 1112124076 /nfs/dbraw/zinc/12/40/76/1112124076.db2.gz ZZYWTDWYLRDURS-NRFANRHFSA-N 2 2 367.537 4.051 20 0 FIADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cc(C)nc2OCc2ccccc2)C1 ZINC000553887306 1112124079 /nfs/dbraw/zinc/12/40/79/1112124079.db2.gz ZZYWTDWYLRDURS-NRFANRHFSA-N 2 2 367.537 4.051 20 0 FIADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)cc(C)nc2OCc2ccccc2)C1 ZINC000553887306 1112124081 /nfs/dbraw/zinc/12/40/81/1112124081.db2.gz ZZYWTDWYLRDURS-NRFANRHFSA-N 2 2 367.537 4.051 20 0 FIADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)cc(C)nc2OCc2ccccc2)C1 ZINC000553887306 1112124087 /nfs/dbraw/zinc/12/40/87/1112124087.db2.gz ZZYWTDWYLRDURS-NRFANRHFSA-N 2 2 367.537 4.051 20 0 FIADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000479853464 1112162549 /nfs/dbraw/zinc/16/25/49/1112162549.db2.gz PYGYLSFKHMOQJE-XXBNENTESA-N 2 2 360.505 4.360 20 0 FIADLP COc1cc2c(NCc3cccc(Cn4cc[nH+]c4)c3)cc[nH+]c2cc1F ZINC000479937595 1112205366 /nfs/dbraw/zinc/20/53/66/1112205366.db2.gz FNZLOINJBPMIOB-UHFFFAOYSA-N 2 2 362.408 4.239 20 0 FIADLP COCc1csc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000667618431 1112274268 /nfs/dbraw/zinc/27/42/68/1112274268.db2.gz YYIDVBPINFNVOU-XLIONFOSSA-N 2 2 358.551 4.379 20 0 FIADLP COCc1csc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000667618431 1112274271 /nfs/dbraw/zinc/27/42/71/1112274271.db2.gz YYIDVBPINFNVOU-XLIONFOSSA-N 2 2 358.551 4.379 20 0 FIADLP COCc1csc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000667618431 1112274275 /nfs/dbraw/zinc/27/42/75/1112274275.db2.gz YYIDVBPINFNVOU-XLIONFOSSA-N 2 2 358.551 4.379 20 0 FIADLP COCc1csc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000667618431 1112274279 /nfs/dbraw/zinc/27/42/79/1112274279.db2.gz YYIDVBPINFNVOU-XLIONFOSSA-N 2 2 358.551 4.379 20 0 FIADLP OCC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000554367009 1112319359 /nfs/dbraw/zinc/31/93/59/1112319359.db2.gz QNSXXLZQSQGIGD-QFIPXVFZSA-N 2 2 372.940 4.060 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000554374844 1112325834 /nfs/dbraw/zinc/32/58/34/1112325834.db2.gz BIPKZHYSQLDHPQ-AOMKIAJQSA-N 2 2 366.484 4.273 20 0 FIADLP Cc1cnc([C@H]([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000480200170 1112329503 /nfs/dbraw/zinc/32/95/03/1112329503.db2.gz NCFIKWIHBITEOU-FFZOFVMBSA-N 2 2 355.551 4.403 20 0 FIADLP Cc1cnc([C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000480200170 1112329509 /nfs/dbraw/zinc/32/95/09/1112329509.db2.gz NCFIKWIHBITEOU-FFZOFVMBSA-N 2 2 355.551 4.403 20 0 FIADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000480265913 1112353034 /nfs/dbraw/zinc/35/30/34/1112353034.db2.gz YRJGBMCWZAHYFG-HNNXBMFYSA-N 2 2 352.510 4.449 20 0 FIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000667681335 1112446910 /nfs/dbraw/zinc/44/69/10/1112446910.db2.gz GMLKYEQSGAWMGZ-LJQANCHMSA-N 2 2 369.484 4.177 20 0 FIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000667681335 1112446912 /nfs/dbraw/zinc/44/69/12/1112446912.db2.gz GMLKYEQSGAWMGZ-LJQANCHMSA-N 2 2 369.484 4.177 20 0 FIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000667681335 1112446915 /nfs/dbraw/zinc/44/69/15/1112446915.db2.gz GMLKYEQSGAWMGZ-LJQANCHMSA-N 2 2 369.484 4.177 20 0 FIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000667681335 1112446918 /nfs/dbraw/zinc/44/69/18/1112446918.db2.gz GMLKYEQSGAWMGZ-LJQANCHMSA-N 2 2 369.484 4.177 20 0 FIADLP Cc1ccc2nc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cn2c1 ZINC000554839726 1112524611 /nfs/dbraw/zinc/52/46/11/1112524611.db2.gz LRAIYWPLTGPCQD-OAQYLSRUSA-N 2 2 362.521 4.033 20 0 FIADLP Cc1ccc2nc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)cn2c1 ZINC000554839726 1112524617 /nfs/dbraw/zinc/52/46/17/1112524617.db2.gz LRAIYWPLTGPCQD-OAQYLSRUSA-N 2 2 362.521 4.033 20 0 FIADLP Cc1cccc2nc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cn21 ZINC000554841633 1112525839 /nfs/dbraw/zinc/52/58/39/1112525839.db2.gz KXIVUTNXOVTWBI-OAQYLSRUSA-N 2 2 362.521 4.033 20 0 FIADLP Cc1cccc2nc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)cn21 ZINC000554841633 1112525841 /nfs/dbraw/zinc/52/58/41/1112525841.db2.gz KXIVUTNXOVTWBI-OAQYLSRUSA-N 2 2 362.521 4.033 20 0 FIADLP Cc1cccc2nc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cn21 ZINC000554841632 1112526149 /nfs/dbraw/zinc/52/61/49/1112526149.db2.gz KXIVUTNXOVTWBI-NRFANRHFSA-N 2 2 362.521 4.033 20 0 FIADLP Cc1cccc2nc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)cn21 ZINC000554841632 1112526150 /nfs/dbraw/zinc/52/61/50/1112526150.db2.gz KXIVUTNXOVTWBI-NRFANRHFSA-N 2 2 362.521 4.033 20 0 FIADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H](C)Cn3cc[nH+]c3)s2)cc1 ZINC000480774876 1112599316 /nfs/dbraw/zinc/59/93/16/1112599316.db2.gz WOECPPNVZUPXHU-KBPBESRZSA-N 2 2 356.495 4.063 20 0 FIADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1nccc2ccccc21 ZINC000554996964 1112610440 /nfs/dbraw/zinc/61/04/40/1112610440.db2.gz FBIACCPOHDXYCM-HXUWFJFHSA-N 2 2 374.532 4.098 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(Br)ccc1F ZINC000481432243 1112941593 /nfs/dbraw/zinc/94/15/93/1112941593.db2.gz DQAQMQAMIQRLGY-LBPRGKRZSA-N 2 2 355.295 4.256 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)COc1ccc(F)cc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481542648 1112973758 /nfs/dbraw/zinc/97/37/58/1112973758.db2.gz JUMGCACKNHTOBU-LSDHHAIUSA-N 2 2 357.404 4.269 20 0 FIADLP Clc1ccc(CN2CCC([NH2+]CCCCNc3cccc[nH+]3)CC2)cc1 ZINC000162883023 1113017365 /nfs/dbraw/zinc/01/73/65/1113017365.db2.gz CVMIYOLTASAQBP-UHFFFAOYSA-N 2 2 372.944 4.181 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481931756 1113138807 /nfs/dbraw/zinc/13/88/07/1113138807.db2.gz KPKBMXOODJRXAT-OAHLLOKOSA-N 2 2 372.475 4.115 20 0 FIADLP CC1(C)CC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cc(Br)ccc21 ZINC000482001137 1113148007 /nfs/dbraw/zinc/14/80/07/1113148007.db2.gz LZHXLLUIWFBOKI-WMLDXEAASA-N 2 2 374.326 4.363 20 0 FIADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000482255544 1113211576 /nfs/dbraw/zinc/21/15/76/1113211576.db2.gz AFOQVACIZIQSFD-QGZVFWFLSA-N 2 2 369.513 4.154 20 0 FIADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2Br)C1 ZINC000482364586 1113233144 /nfs/dbraw/zinc/23/31/44/1113233144.db2.gz YVFONDWUSDEQSE-ZIAGYGMSSA-N 2 2 357.311 4.359 20 0 FIADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2Br)C1 ZINC000482364586 1113233147 /nfs/dbraw/zinc/23/31/47/1113233147.db2.gz YVFONDWUSDEQSE-ZIAGYGMSSA-N 2 2 357.311 4.359 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000482791083 1113366128 /nfs/dbraw/zinc/36/61/28/1113366128.db2.gz RJEQGDLWTNHMCJ-KRWDZBQOSA-N 2 2 373.928 4.317 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000482791083 1113366130 /nfs/dbraw/zinc/36/61/30/1113366130.db2.gz RJEQGDLWTNHMCJ-KRWDZBQOSA-N 2 2 373.928 4.317 20 0 FIADLP C[C@@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483158655 1113450673 /nfs/dbraw/zinc/45/06/73/1113450673.db2.gz QJIHMEBBKVGYRM-QRWLVFNGSA-N 2 2 370.447 4.104 20 0 FIADLP C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483140756 1113452522 /nfs/dbraw/zinc/45/25/22/1113452522.db2.gz QVIVBPYHNZUNNH-PXNSSMCTSA-N 2 2 364.468 4.331 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c(Cl)s2)C[C@@H]1C ZINC000483278899 1113478975 /nfs/dbraw/zinc/47/89/75/1113478975.db2.gz DSJGTYBDTSOFBL-QWRGUYRKSA-N 2 2 365.768 4.469 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c(Cl)s2)C[C@@H]1C ZINC000483278899 1113478977 /nfs/dbraw/zinc/47/89/77/1113478977.db2.gz DSJGTYBDTSOFBL-QWRGUYRKSA-N 2 2 365.768 4.469 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)c(Cl)s2)C[C@@H]1C ZINC000483278899 1113478980 /nfs/dbraw/zinc/47/89/80/1113478980.db2.gz DSJGTYBDTSOFBL-QWRGUYRKSA-N 2 2 365.768 4.469 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)c(Cl)s2)C[C@@H]1C ZINC000483278899 1113478982 /nfs/dbraw/zinc/47/89/82/1113478982.db2.gz DSJGTYBDTSOFBL-QWRGUYRKSA-N 2 2 365.768 4.469 20 0 FIADLP C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486522052 1113587580 /nfs/dbraw/zinc/58/75/80/1113587580.db2.gz XHAFRASCEYEUTA-WIYYLYMNSA-N 2 2 360.505 4.077 20 0 FIADLP C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486522052 1113587581 /nfs/dbraw/zinc/58/75/81/1113587581.db2.gz XHAFRASCEYEUTA-WIYYLYMNSA-N 2 2 360.505 4.077 20 0 FIADLP COc1ccc([C@H]([NH2+]CCn2cc[nH+]c2C)c2ccccc2Cl)cc1 ZINC000490171921 1114229875 /nfs/dbraw/zinc/22/98/75/1114229875.db2.gz JRZIVVBLJOKORP-FQEVSTJZSA-N 2 2 355.869 4.233 20 0 FIADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CCCO1 ZINC000571382345 1114460717 /nfs/dbraw/zinc/46/07/17/1114460717.db2.gz SVIMRWVWFCZAGJ-INIZCTEOSA-N 2 2 362.901 4.191 20 0 FIADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CCCO1 ZINC000571382345 1114460719 /nfs/dbraw/zinc/46/07/19/1114460719.db2.gz SVIMRWVWFCZAGJ-INIZCTEOSA-N 2 2 362.901 4.191 20 0 FIADLP Fc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1C(F)(F)F ZINC000572045315 1114594883 /nfs/dbraw/zinc/59/48/83/1114594883.db2.gz MRPKOFOZJSTRRK-UHFFFAOYSA-N 2 2 363.358 4.379 20 0 FIADLP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1occc1Br ZINC000227364970 1115557417 /nfs/dbraw/zinc/55/74/17/1115557417.db2.gz HEYLFWOCCHKKAH-UHFFFAOYSA-N 2 2 351.288 4.174 20 0 FIADLP CC[N@@H+](Cc1cccc(OC)c1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000669709045 1115847472 /nfs/dbraw/zinc/84/74/72/1115847472.db2.gz OQDWMKKYASYGRV-IBGZPJMESA-N 2 2 356.485 4.178 20 0 FIADLP CC[N@H+](Cc1cccc(OC)c1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000669709045 1115847476 /nfs/dbraw/zinc/84/74/76/1115847476.db2.gz OQDWMKKYASYGRV-IBGZPJMESA-N 2 2 356.485 4.178 20 0 FIADLP CC[NH+](Cc1cccc(OC)c1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000669709045 1115847480 /nfs/dbraw/zinc/84/74/80/1115847480.db2.gz OQDWMKKYASYGRV-IBGZPJMESA-N 2 2 356.485 4.178 20 0 FIADLP CC[NH+](Cc1cccc(OC)c1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000669709045 1115847483 /nfs/dbraw/zinc/84/74/83/1115847483.db2.gz OQDWMKKYASYGRV-IBGZPJMESA-N 2 2 356.485 4.178 20 0 FIADLP C[C@H](Nc1cc[nH+]c2cc(F)ccc12)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607356434 1116022246 /nfs/dbraw/zinc/02/22/46/1116022246.db2.gz MBKONJAIROZKLV-AOMKIAJQSA-N 2 2 365.452 4.075 20 0 FIADLP C[C@H](Nc1cc[nH+]c2cc(F)ccc12)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607356434 1116022248 /nfs/dbraw/zinc/02/22/48/1116022248.db2.gz MBKONJAIROZKLV-AOMKIAJQSA-N 2 2 365.452 4.075 20 0 FIADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1SC(F)(F)F ZINC000173529062 1116074822 /nfs/dbraw/zinc/07/48/22/1116074822.db2.gz DKIVLUXVKIVIMG-GXTWGEPZSA-N 2 2 362.461 4.222 20 0 FIADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1SC(F)(F)F ZINC000173529062 1116074824 /nfs/dbraw/zinc/07/48/24/1116074824.db2.gz DKIVLUXVKIVIMG-GXTWGEPZSA-N 2 2 362.461 4.222 20 0 FIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1SC(F)(F)F ZINC000173529062 1116074826 /nfs/dbraw/zinc/07/48/26/1116074826.db2.gz DKIVLUXVKIVIMG-GXTWGEPZSA-N 2 2 362.461 4.222 20 0 FIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1SC(F)(F)F ZINC000173529062 1116074827 /nfs/dbraw/zinc/07/48/27/1116074827.db2.gz DKIVLUXVKIVIMG-GXTWGEPZSA-N 2 2 362.461 4.222 20 0 FIADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1SC(F)(F)F ZINC000173529072 1116074864 /nfs/dbraw/zinc/07/48/64/1116074864.db2.gz DKIVLUXVKIVIMG-OCCSQVGLSA-N 2 2 362.461 4.222 20 0 FIADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1SC(F)(F)F ZINC000173529072 1116074866 /nfs/dbraw/zinc/07/48/66/1116074866.db2.gz DKIVLUXVKIVIMG-OCCSQVGLSA-N 2 2 362.461 4.222 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1SC(F)(F)F ZINC000173529072 1116074867 /nfs/dbraw/zinc/07/48/67/1116074867.db2.gz DKIVLUXVKIVIMG-OCCSQVGLSA-N 2 2 362.461 4.222 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1SC(F)(F)F ZINC000173529072 1116074868 /nfs/dbraw/zinc/07/48/68/1116074868.db2.gz DKIVLUXVKIVIMG-OCCSQVGLSA-N 2 2 362.461 4.222 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(-n3cnc4ccccc43)cc1)CCC2 ZINC000608067848 1116080565 /nfs/dbraw/zinc/08/05/65/1116080565.db2.gz XONZYROMHNKBFJ-LJQANCHMSA-N 2 2 371.488 4.198 20 0 FIADLP COc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1Cl ZINC000608071182 1116080809 /nfs/dbraw/zinc/08/08/09/1116080809.db2.gz IKHTZGYBQJLJAS-SFHVURJKSA-N 2 2 355.869 4.156 20 0 FIADLP COc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1Cl ZINC000608071174 1116080898 /nfs/dbraw/zinc/08/08/98/1116080898.db2.gz IKHTZGYBQJLJAS-GOSISDBHSA-N 2 2 355.869 4.156 20 0 FIADLP COc1cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1SC ZINC000608074917 1116080924 /nfs/dbraw/zinc/08/09/24/1116080924.db2.gz TXNKBFYTIVRSIA-GOSISDBHSA-N 2 2 367.518 4.224 20 0 FIADLP C[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1cccc(CO)c1 ZINC000535512581 1116314567 /nfs/dbraw/zinc/31/45/67/1116314567.db2.gz ZZJWQXBALZFFDD-OALUTQOASA-N 2 2 352.522 4.493 20 0 FIADLP COCc1ccc(C[NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000462363990 1116340570 /nfs/dbraw/zinc/34/05/70/1116340570.db2.gz FWNPRYBRNWRGQI-HSZRJFAPSA-N 2 2 352.522 4.006 20 0 FIADLP COCc1ccc(C[NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000462363990 1116340572 /nfs/dbraw/zinc/34/05/72/1116340572.db2.gz FWNPRYBRNWRGQI-HSZRJFAPSA-N 2 2 352.522 4.006 20 0 FIADLP Cc1ccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(C)c1 ZINC000539688350 1116364884 /nfs/dbraw/zinc/36/48/84/1116364884.db2.gz GRZBWAYHDGJKSW-GOSISDBHSA-N 2 2 352.526 4.402 20 0 FIADLP Cc1cc(C)cc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000539688456 1116364921 /nfs/dbraw/zinc/36/49/21/1116364921.db2.gz JESJLJVYXUKGRG-SFHVURJKSA-N 2 2 352.526 4.402 20 0 FIADLP CCOc1ccccc1[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539688775 1116365874 /nfs/dbraw/zinc/36/58/74/1116365874.db2.gz GCQVANYCSRHNAU-QGZVFWFLSA-N 2 2 368.525 4.184 20 0 FIADLP Cc1ccc(CC[C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000539690842 1116366312 /nfs/dbraw/zinc/36/63/12/1116366312.db2.gz WVZYRALKKJOCCL-IBGZPJMESA-N 2 2 366.553 4.354 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C[C@H]1C ZINC000539821183 1116385694 /nfs/dbraw/zinc/38/56/94/1116385694.db2.gz MBZCJXIDVLMIAI-WIYYLYMNSA-N 2 2 354.542 4.300 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C[C@H]1C ZINC000539821183 1116385695 /nfs/dbraw/zinc/38/56/95/1116385695.db2.gz MBZCJXIDVLMIAI-WIYYLYMNSA-N 2 2 354.542 4.300 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C[C@H]1C ZINC000539821183 1116385696 /nfs/dbraw/zinc/38/56/96/1116385696.db2.gz MBZCJXIDVLMIAI-WIYYLYMNSA-N 2 2 354.542 4.300 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C[C@H]1C ZINC000539821183 1116385697 /nfs/dbraw/zinc/38/56/97/1116385697.db2.gz MBZCJXIDVLMIAI-WIYYLYMNSA-N 2 2 354.542 4.300 20 0 FIADLP Cc1cc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1Cl ZINC000462811041 1117780796 /nfs/dbraw/zinc/78/07/96/1117780796.db2.gz FAYFILKQTRHDDJ-UWJYYQICSA-N 2 2 357.929 4.086 20 0 FIADLP Cc1cc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1Cl ZINC000462811041 1117780799 /nfs/dbraw/zinc/78/07/99/1117780799.db2.gz FAYFILKQTRHDDJ-UWJYYQICSA-N 2 2 357.929 4.086 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000462814221 1117791429 /nfs/dbraw/zinc/79/14/29/1117791429.db2.gz OTXYAAKOSGPASF-ZWKOTPCHSA-N 2 2 364.468 4.189 20 0 FIADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000462818091 1117794117 /nfs/dbraw/zinc/79/41/17/1117794117.db2.gz PRQKXKPCLAWEQG-IERDGZPVSA-N 2 2 359.583 4.251 20 0 FIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1csc(-c2ccccc2F)n1 ZINC000462881992 1117837611 /nfs/dbraw/zinc/83/76/11/1117837611.db2.gz BUSCBDBADMZCND-AWEZNQCLSA-N 2 2 370.497 4.375 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000540163868 1117917823 /nfs/dbraw/zinc/91/78/23/1117917823.db2.gz PYXUBOHRUAWPKK-JBBXEZCESA-N 2 2 357.325 4.022 20 0 FIADLP Clc1ccc2c(c1Cl)OC[C@@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000540185872 1117927160 /nfs/dbraw/zinc/92/71/60/1117927160.db2.gz CYOMFQJJZAQJBZ-INIZCTEOSA-N 2 2 355.309 4.424 20 0 FIADLP Brc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000540300616 1117975966 /nfs/dbraw/zinc/97/59/66/1117975966.db2.gz OQJZXTGMDDAROB-LJQANCHMSA-N 2 2 368.278 4.412 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000463116173 1117977840 /nfs/dbraw/zinc/97/78/40/1117977840.db2.gz OQDCBNQJUWDSPR-RXVVDRJESA-N 2 2 361.489 4.484 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)no2)CC[N@H+]1Cc1ccccc1 ZINC000463116173 1117977843 /nfs/dbraw/zinc/97/78/43/1117977843.db2.gz OQDCBNQJUWDSPR-RXVVDRJESA-N 2 2 361.489 4.484 20 0 FIADLP CCOc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1F ZINC000463147804 1117991944 /nfs/dbraw/zinc/99/19/44/1117991944.db2.gz BTMTZGRQGARWRQ-UHFFFAOYSA-N 2 2 374.475 4.160 20 0 FIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)C1CC1 ZINC000463267179 1118071325 /nfs/dbraw/zinc/07/13/25/1118071325.db2.gz OJZKIBIVKOAXRB-DEOSSOPVSA-N 2 2 363.549 4.156 20 0 FIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)C1CC1 ZINC000463267179 1118071331 /nfs/dbraw/zinc/07/13/31/1118071331.db2.gz OJZKIBIVKOAXRB-DEOSSOPVSA-N 2 2 363.549 4.156 20 0 FIADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463271134 1118073121 /nfs/dbraw/zinc/07/31/21/1118073121.db2.gz IQIMKWLGSWCYBD-KAGYGMCKSA-N 2 2 350.506 4.461 20 0 FIADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463271134 1118073127 /nfs/dbraw/zinc/07/31/27/1118073127.db2.gz IQIMKWLGSWCYBD-KAGYGMCKSA-N 2 2 350.506 4.461 20 0 FIADLP Cc1ccc([C@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)C2CC2)cc1 ZINC000540757142 1118225293 /nfs/dbraw/zinc/22/52/93/1118225293.db2.gz ZHKBRGBAMNZFPG-UNMCSNQZSA-N 2 2 350.510 4.094 20 0 FIADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)NC(=O)OC(C)(C)C ZINC000312222401 1118322937 /nfs/dbraw/zinc/32/29/37/1118322937.db2.gz ZTOUBYCJHOIVAH-QFBILLFUSA-N 2 2 372.513 4.072 20 0 FIADLP C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541201831 1118421809 /nfs/dbraw/zinc/42/18/09/1118421809.db2.gz WWSLGLWAISCUJD-HNNXBMFYSA-N 2 2 371.510 4.248 20 0 FIADLP FC(F)n1c(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)nc2ccccc21 ZINC000541374779 1118493211 /nfs/dbraw/zinc/49/32/11/1118493211.db2.gz QEABPIVLFCBPLB-UHFFFAOYSA-N 2 2 373.432 4.011 20 0 FIADLP Cc1cc([C@H]([NH2+]CCCNc2cccc[nH+]2)c2cccnc2)ccc1F ZINC000541541564 1118547904 /nfs/dbraw/zinc/54/79/04/1118547904.db2.gz QULHZLDPCPXYOX-NRFANRHFSA-N 2 2 350.441 4.105 20 0 FIADLP Cc1cc([C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)c2cccnc2)ccc1F ZINC000541548400 1118551862 /nfs/dbraw/zinc/55/18/62/1118551862.db2.gz CVRBDNFEAZENNO-XMSQKQJNSA-N 2 2 355.501 4.473 20 0 FIADLP Cc1cc([C@@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)c2cccnc2)ccc1F ZINC000541548400 1118551865 /nfs/dbraw/zinc/55/18/65/1118551865.db2.gz CVRBDNFEAZENNO-XMSQKQJNSA-N 2 2 355.501 4.473 20 0 FIADLP CCc1ccc(CC[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000464804893 1118699132 /nfs/dbraw/zinc/69/91/32/1118699132.db2.gz JJLZWXLHNUFTRX-UHFFFAOYSA-N 2 2 351.538 4.425 20 0 FIADLP CCc1ccc(CC[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000464804893 1118699137 /nfs/dbraw/zinc/69/91/37/1118699137.db2.gz JJLZWXLHNUFTRX-UHFFFAOYSA-N 2 2 351.538 4.425 20 0 FIADLP CC[N@H+](CCOc1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808752 1118701878 /nfs/dbraw/zinc/70/18/78/1118701878.db2.gz LABGRWWDSCDTPO-UHFFFAOYSA-N 2 2 373.928 4.352 20 0 FIADLP CC[N@@H+](CCOc1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808752 1118701881 /nfs/dbraw/zinc/70/18/81/1118701881.db2.gz LABGRWWDSCDTPO-UHFFFAOYSA-N 2 2 373.928 4.352 20 0 FIADLP C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311214394 1119362200 /nfs/dbraw/zinc/36/22/00/1119362200.db2.gz MKZVWNARAGSGFR-WMZOPIPTSA-N 2 2 357.567 4.441 20 0 FIADLP C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311214394 1119362203 /nfs/dbraw/zinc/36/22/03/1119362203.db2.gz MKZVWNARAGSGFR-WMZOPIPTSA-N 2 2 357.567 4.441 20 0 FIADLP COc1ccc([C@H]([NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c2ccccc2)cc1 ZINC000493304171 1119436792 /nfs/dbraw/zinc/43/67/92/1119436792.db2.gz MWWUCOVPKLAKHZ-IFMALSPDSA-N 2 2 361.489 4.457 20 0 FIADLP COc1ccc([C@@H]([NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c2ccccc2)cc1 ZINC000493304174 1119436911 /nfs/dbraw/zinc/43/69/11/1119436911.db2.gz MWWUCOVPKLAKHZ-IRLDBZIGSA-N 2 2 361.489 4.457 20 0 FIADLP Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542465916 1119446900 /nfs/dbraw/zinc/44/69/00/1119446900.db2.gz CCBNIKYZACBNHM-LJQANCHMSA-N 2 2 363.490 4.158 20 0 FIADLP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542465916 1119446902 /nfs/dbraw/zinc/44/69/02/1119446902.db2.gz CCBNIKYZACBNHM-LJQANCHMSA-N 2 2 363.490 4.158 20 0 FIADLP CC[NH+](CC)[C@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)c1ccccc1 ZINC000089134310 1119481144 /nfs/dbraw/zinc/48/11/44/1119481144.db2.gz JPGKHJPEJLDANP-OAQYLSRUSA-N 2 2 373.585 4.086 20 0 FIADLP CCCc1csc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000494152517 1119547615 /nfs/dbraw/zinc/54/76/15/1119547615.db2.gz KJLZGVHRKBFLBL-IRXDYDNUSA-N 2 2 357.567 4.342 20 0 FIADLP CCCc1csc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000494152518 1119547925 /nfs/dbraw/zinc/54/79/25/1119547925.db2.gz KJLZGVHRKBFLBL-LFUKPOHLSA-N 2 2 357.567 4.342 20 0 FIADLP CCCc1csc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000494152518 1119547928 /nfs/dbraw/zinc/54/79/28/1119547928.db2.gz KJLZGVHRKBFLBL-LFUKPOHLSA-N 2 2 357.567 4.342 20 0 FIADLP C[N@H+](CCCn1cc[nH+]c1)CCSc1ccnc2cc(Cl)ccc21 ZINC000182970554 1119564449 /nfs/dbraw/zinc/56/44/49/1119564449.db2.gz KWZLFNZHVKHEID-UHFFFAOYSA-N 2 2 360.914 4.199 20 0 FIADLP C[N@@H+](CCCn1cc[nH+]c1)CCSc1ccnc2cc(Cl)ccc21 ZINC000182970554 1119564452 /nfs/dbraw/zinc/56/44/52/1119564452.db2.gz KWZLFNZHVKHEID-UHFFFAOYSA-N 2 2 360.914 4.199 20 0 FIADLP CC(C)c1nc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cs1 ZINC000186234162 1119714767 /nfs/dbraw/zinc/71/47/67/1119714767.db2.gz UEKCSHOSAWOVMW-MRXNPFEDSA-N 2 2 354.523 4.405 20 0 FIADLP Fc1ccc([C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c2cccnc2)cc1 ZINC000542482946 1119866828 /nfs/dbraw/zinc/86/68/28/1119866828.db2.gz ZTAHLSIYTMYDJJ-QHCPKHFHSA-N 2 2 372.447 4.345 20 0 FIADLP CCCOc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c(C)c1 ZINC000189268094 1119881543 /nfs/dbraw/zinc/88/15/43/1119881543.db2.gz GOHNDKOIYREMBB-UHFFFAOYSA-N 2 2 358.448 4.290 20 0 FIADLP C[C@@H]1CC[C@@H](C[NH+]2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)O1 ZINC000190928733 1119954412 /nfs/dbraw/zinc/95/44/12/1119954412.db2.gz ZQOUOVQYHYSZSR-BEFAXECRSA-N 2 2 370.459 4.169 20 0 FIADLP C[C@@H]1CC[C@@H](C[NH+]2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)O1 ZINC000190928733 1119954416 /nfs/dbraw/zinc/95/44/16/1119954416.db2.gz ZQOUOVQYHYSZSR-BEFAXECRSA-N 2 2 370.459 4.169 20 0 FIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)o2)[C@@H]1c1cccs1 ZINC000191190034 1119964156 /nfs/dbraw/zinc/96/41/56/1119964156.db2.gz FQXNFYLIHZQWLW-MLGOLLRUSA-N 2 2 369.328 4.276 20 0 FIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)o2)[C@@H]1c1cccs1 ZINC000191190034 1119964157 /nfs/dbraw/zinc/96/41/57/1119964157.db2.gz FQXNFYLIHZQWLW-MLGOLLRUSA-N 2 2 369.328 4.276 20 0 FIADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CCS2 ZINC000191501047 1119980024 /nfs/dbraw/zinc/98/00/24/1119980024.db2.gz NVZBVUCRLAQTAC-SFHVURJKSA-N 2 2 351.475 4.208 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000192157395 1120032666 /nfs/dbraw/zinc/03/26/66/1120032666.db2.gz PLWFXDYRSICIIP-SFHVURJKSA-N 2 2 357.461 4.217 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542530414 1120416469 /nfs/dbraw/zinc/41/64/69/1120416469.db2.gz FLGDLEWRFMHMLS-QFBILLFUSA-N 2 2 353.510 4.393 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542530414 1120416473 /nfs/dbraw/zinc/41/64/73/1120416473.db2.gz FLGDLEWRFMHMLS-QFBILLFUSA-N 2 2 353.510 4.393 20 0 FIADLP C[NH+](C)[C@H]1CCN(c2ccc(NC(c3ccccc3)c3ccccc3)[nH+]c2)C1 ZINC000495060973 1120449347 /nfs/dbraw/zinc/44/93/47/1120449347.db2.gz BQGSKFSWMLGJIS-QFIPXVFZSA-N 2 2 372.516 4.423 20 0 FIADLP C[C@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495374117 1120759540 /nfs/dbraw/zinc/75/95/40/1120759540.db2.gz MLCZFBUFXOYLGR-XAUMDUMWSA-N 2 2 356.897 4.274 20 0 FIADLP C[C@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495374117 1120759544 /nfs/dbraw/zinc/75/95/44/1120759544.db2.gz MLCZFBUFXOYLGR-XAUMDUMWSA-N 2 2 356.897 4.274 20 0 FIADLP Brc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000236634626 1120968158 /nfs/dbraw/zinc/96/81/58/1120968158.db2.gz UCCKORDSOOKPTO-SFHVURJKSA-N 2 2 372.310 4.090 20 0 FIADLP COc1ccc(F)cc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000237177223 1120974435 /nfs/dbraw/zinc/97/44/35/1120974435.db2.gz LMZLUDBMCNONHK-QGZVFWFLSA-N 2 2 356.485 4.192 20 0 FIADLP Cn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C1 ZINC000443944269 1120997316 /nfs/dbraw/zinc/99/73/16/1120997316.db2.gz GNJBQCFWKKQSCP-CYBMUJFWSA-N 2 2 360.383 4.371 20 0 FIADLP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001168501625 1121119704 /nfs/dbraw/zinc/11/97/04/1121119704.db2.gz TXEKYBKVERYXKM-KRWDZBQOSA-N 2 2 358.476 4.492 20 0 FIADLP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001168501625 1121119708 /nfs/dbraw/zinc/11/97/08/1121119708.db2.gz TXEKYBKVERYXKM-KRWDZBQOSA-N 2 2 358.476 4.492 20 0 FIADLP Clc1ccc(Br)cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000496915347 1121553678 /nfs/dbraw/zinc/55/36/78/1121553678.db2.gz CYHJAIBJRRSGKP-UHFFFAOYSA-N 2 2 371.750 4.410 20 0 FIADLP CC[NH+]1CCC([N@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000125211607 1121757673 /nfs/dbraw/zinc/75/76/73/1121757673.db2.gz RVWFRMMSNOUIEL-UHFFFAOYSA-N 2 2 360.933 4.059 20 0 FIADLP CC[NH+]1CCC([N@@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000125211607 1121757679 /nfs/dbraw/zinc/75/76/79/1121757679.db2.gz RVWFRMMSNOUIEL-UHFFFAOYSA-N 2 2 360.933 4.059 20 0 FIADLP Clc1ccc2[nH]cc(CC[NH2+]C3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000126006818 1121909135 /nfs/dbraw/zinc/90/91/35/1121909135.db2.gz WKXXUWQGCHCPFM-UHFFFAOYSA-N 2 2 354.885 4.017 20 0 FIADLP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000126781654 1121990465 /nfs/dbraw/zinc/99/04/65/1121990465.db2.gz IRRYYPILVBCMLN-IRXDYDNUSA-N 2 2 374.550 4.328 20 0 FIADLP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000126781654 1121990468 /nfs/dbraw/zinc/99/04/68/1121990468.db2.gz IRRYYPILVBCMLN-IRXDYDNUSA-N 2 2 374.550 4.328 20 0 FIADLP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000126782137 1121990681 /nfs/dbraw/zinc/99/06/81/1121990681.db2.gz IRRYYPILVBCMLN-DLBZAZTESA-N 2 2 374.550 4.328 20 0 FIADLP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000126782137 1121990684 /nfs/dbraw/zinc/99/06/84/1121990684.db2.gz IRRYYPILVBCMLN-DLBZAZTESA-N 2 2 374.550 4.328 20 0 FIADLP CCOc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1OCC ZINC000497391518 1122204715 /nfs/dbraw/zinc/20/47/15/1122204715.db2.gz QLAGHZOSYNMUOW-QGZVFWFLSA-N 2 2 369.509 4.199 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000128250205 1122210199 /nfs/dbraw/zinc/21/01/99/1122210199.db2.gz LLAVCEBQBPFOHJ-HNNXBMFYSA-N 2 2 367.884 4.059 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000128250205 1122210202 /nfs/dbraw/zinc/21/02/02/1122210202.db2.gz LLAVCEBQBPFOHJ-HNNXBMFYSA-N 2 2 367.884 4.059 20 0 FIADLP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000089724743 1122246058 /nfs/dbraw/zinc/24/60/58/1122246058.db2.gz RCRMNWUIRKUUQU-UWJYYQICSA-N 2 2 360.461 4.404 20 0 FIADLP CCC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1nnc2ccccn21 ZINC000129276828 1122563333 /nfs/dbraw/zinc/56/33/33/1122563333.db2.gz GYDVPSICOSTXMR-QFBILLFUSA-N 2 2 360.465 4.107 20 0 FIADLP Cn1c(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)nc2cccc(Cl)c21 ZINC000556178058 1122717025 /nfs/dbraw/zinc/71/70/25/1122717025.db2.gz UCKJUAHOEJRJTB-LPHOPBHVSA-N 2 2 368.912 4.152 20 0 FIADLP Cn1c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)nc2cccc(Cl)c21 ZINC000556178058 1122717029 /nfs/dbraw/zinc/71/70/29/1122717029.db2.gz UCKJUAHOEJRJTB-LPHOPBHVSA-N 2 2 368.912 4.152 20 0 FIADLP Cn1c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)nc2cccc(Cl)c21 ZINC000556178061 1122717378 /nfs/dbraw/zinc/71/73/78/1122717378.db2.gz UCKJUAHOEJRJTB-VQIMIIECSA-N 2 2 368.912 4.152 20 0 FIADLP Cn1c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)nc2cccc(Cl)c21 ZINC000556178061 1122717380 /nfs/dbraw/zinc/71/73/80/1122717380.db2.gz UCKJUAHOEJRJTB-VQIMIIECSA-N 2 2 368.912 4.152 20 0 FIADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(F)cn1 ZINC000498768505 1123001332 /nfs/dbraw/zinc/00/13/32/1123001332.db2.gz PDMNDEFUAPYGRP-IERDGZPVSA-N 2 2 356.489 4.128 20 0 FIADLP C[NH+](C)[C@H]1CCN(c2ccc(NC3c4ccccc4-c4ccccc43)[nH+]c2)C1 ZINC000498763259 1123003617 /nfs/dbraw/zinc/00/36/17/1123003617.db2.gz HERPHHDBHGNOJD-SFHVURJKSA-N 2 2 370.500 4.404 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(C)c1OC ZINC000556869145 1123151469 /nfs/dbraw/zinc/15/14/69/1123151469.db2.gz FTRPQRGXQPWDEP-OAHLLOKOSA-N 2 2 369.440 4.188 20 0 FIADLP Cc1[nH+]ccn1CC[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000499072175 1123194576 /nfs/dbraw/zinc/19/45/76/1123194576.db2.gz VXEUTKDOGBOAHV-UHFFFAOYSA-N 2 2 368.308 4.289 20 0 FIADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000515077768 1123207873 /nfs/dbraw/zinc/20/78/73/1123207873.db2.gz QLMNNEMBFHSZBC-NBHGPNQESA-N 2 2 354.542 4.433 20 0 FIADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000515077768 1123207876 /nfs/dbraw/zinc/20/78/76/1123207876.db2.gz QLMNNEMBFHSZBC-NBHGPNQESA-N 2 2 354.542 4.433 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000132131041 1123221531 /nfs/dbraw/zinc/22/15/31/1123221531.db2.gz XAAWHSCAMJDPHQ-GCJKJVERSA-N 2 2 367.512 4.143 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000132131041 1123221532 /nfs/dbraw/zinc/22/15/32/1123221532.db2.gz XAAWHSCAMJDPHQ-GCJKJVERSA-N 2 2 367.512 4.143 20 0 FIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000132244391 1123234962 /nfs/dbraw/zinc/23/49/62/1123234962.db2.gz GLYOLKOTPKCUMB-IBGZPJMESA-N 2 2 371.488 4.010 20 0 FIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000132269298 1123237312 /nfs/dbraw/zinc/23/73/12/1123237312.db2.gz LFPRTXHDIFQCQD-INIZCTEOSA-N 2 2 371.431 4.426 20 0 FIADLP CCCCC[C@H]([NH3+])c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001212272824 1124073738 /nfs/dbraw/zinc/07/37/38/1124073738.db2.gz ALEMYDZOFYWFKE-ZWKOTPCHSA-N 2 2 369.444 4.188 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000245615447 1124141981 /nfs/dbraw/zinc/14/19/81/1124141981.db2.gz VABIVZDFGSKUJG-LAUBAEHRSA-N 2 2 369.940 4.267 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000245615447 1124141988 /nfs/dbraw/zinc/14/19/88/1124141988.db2.gz VABIVZDFGSKUJG-LAUBAEHRSA-N 2 2 369.940 4.267 20 0 FIADLP CCCn1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000245764052 1124244764 /nfs/dbraw/zinc/24/47/64/1124244764.db2.gz QHPBZPLPDLXQFF-AVRDEDQJSA-N 2 2 368.569 4.395 20 0 FIADLP CCCn1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000245764052 1124244769 /nfs/dbraw/zinc/24/47/69/1124244769.db2.gz QHPBZPLPDLXQFF-AVRDEDQJSA-N 2 2 368.569 4.395 20 0 FIADLP CCCn1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000245764052 1124244775 /nfs/dbraw/zinc/24/47/75/1124244775.db2.gz QHPBZPLPDLXQFF-AVRDEDQJSA-N 2 2 368.569 4.395 20 0 FIADLP CCCn1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000245764052 1124244782 /nfs/dbraw/zinc/24/47/82/1124244782.db2.gz QHPBZPLPDLXQFF-AVRDEDQJSA-N 2 2 368.569 4.395 20 0 FIADLP Clc1ccc2c(N[C@H](C[NH+]3CCOCC3)c3ccccc3)cc[nH+]c2c1 ZINC000302811547 1124355245 /nfs/dbraw/zinc/35/52/45/1124355245.db2.gz WREUIRJZKRNGEK-OAQYLSRUSA-N 2 2 367.880 4.374 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(Cl)c1Cl ZINC000246371550 1124470882 /nfs/dbraw/zinc/47/08/82/1124470882.db2.gz JIQOWNQJPJJQSM-MORSLUCNSA-N 2 2 371.352 4.412 20 0 FIADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246403044 1124486108 /nfs/dbraw/zinc/48/61/08/1124486108.db2.gz LWPUATIJGWBROO-OXQOHEQNSA-N 2 2 373.928 4.134 20 0 FIADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246403044 1124486114 /nfs/dbraw/zinc/48/61/14/1124486114.db2.gz LWPUATIJGWBROO-OXQOHEQNSA-N 2 2 373.928 4.134 20 0 FIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246420070 1124499238 /nfs/dbraw/zinc/49/92/38/1124499238.db2.gz BYVPCXQRYIBINT-IMFGXOCKSA-N 2 2 351.494 4.351 20 0 FIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246420070 1124499247 /nfs/dbraw/zinc/49/92/47/1124499247.db2.gz BYVPCXQRYIBINT-IMFGXOCKSA-N 2 2 351.494 4.351 20 0 FIADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246420070 1124499266 /nfs/dbraw/zinc/49/92/66/1124499266.db2.gz BYVPCXQRYIBINT-IMFGXOCKSA-N 2 2 351.494 4.351 20 0 FIADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246420070 1124499271 /nfs/dbraw/zinc/49/92/71/1124499271.db2.gz BYVPCXQRYIBINT-IMFGXOCKSA-N 2 2 351.494 4.351 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@@H](C)C1 ZINC000246782181 1124559998 /nfs/dbraw/zinc/55/99/98/1124559998.db2.gz IMTNTSCEJSMVMX-WFASDCNBSA-N 2 2 355.404 4.009 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@@H](C)C1 ZINC000246782181 1124560005 /nfs/dbraw/zinc/56/00/05/1124560005.db2.gz IMTNTSCEJSMVMX-WFASDCNBSA-N 2 2 355.404 4.009 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@@H](C)C1 ZINC000246782181 1124560012 /nfs/dbraw/zinc/56/00/12/1124560012.db2.gz IMTNTSCEJSMVMX-WFASDCNBSA-N 2 2 355.404 4.009 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@@H](C)C1 ZINC000246782181 1124560018 /nfs/dbraw/zinc/56/00/18/1124560018.db2.gz IMTNTSCEJSMVMX-WFASDCNBSA-N 2 2 355.404 4.009 20 0 FIADLP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000246947909 1124575701 /nfs/dbraw/zinc/57/57/01/1124575701.db2.gz HYRODUKMWDTPKL-WTIAFYNJSA-N 2 2 351.538 4.321 20 0 FIADLP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000246947909 1124575709 /nfs/dbraw/zinc/57/57/09/1124575709.db2.gz HYRODUKMWDTPKL-WTIAFYNJSA-N 2 2 351.538 4.321 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000247015793 1124582066 /nfs/dbraw/zinc/58/20/66/1124582066.db2.gz KOSIWDIGSRAVOA-BOMAWHNGSA-N 2 2 369.475 4.250 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000247015793 1124582079 /nfs/dbraw/zinc/58/20/79/1124582079.db2.gz KOSIWDIGSRAVOA-BOMAWHNGSA-N 2 2 369.475 4.250 20 0 FIADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Sc1ccccc1 ZINC000247205853 1124598988 /nfs/dbraw/zinc/59/89/88/1124598988.db2.gz VIJDZTWRQAYBTG-WAOWUJCRSA-N 2 2 355.551 4.062 20 0 FIADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Sc1ccccc1 ZINC000247205853 1124598994 /nfs/dbraw/zinc/59/89/94/1124598994.db2.gz VIJDZTWRQAYBTG-WAOWUJCRSA-N 2 2 355.551 4.062 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000247580709 1124716412 /nfs/dbraw/zinc/71/64/12/1124716412.db2.gz YKCQSKNEOBGOCU-PGRDOPGGSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000247580709 1124716417 /nfs/dbraw/zinc/71/64/17/1124716417.db2.gz YKCQSKNEOBGOCU-PGRDOPGGSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000247948539 1124732403 /nfs/dbraw/zinc/73/24/03/1124732403.db2.gz DTMQVWHEKNCKOA-GHTZIAJQSA-N 2 2 367.562 4.207 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000247948539 1124732407 /nfs/dbraw/zinc/73/24/07/1124732407.db2.gz DTMQVWHEKNCKOA-GHTZIAJQSA-N 2 2 367.562 4.207 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000247976066 1124735315 /nfs/dbraw/zinc/73/53/15/1124735315.db2.gz KXZPWBXTUFVOFW-LAUBAEHRSA-N 2 2 373.541 4.203 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000247976066 1124735317 /nfs/dbraw/zinc/73/53/17/1124735317.db2.gz KXZPWBXTUFVOFW-LAUBAEHRSA-N 2 2 373.541 4.203 20 0 FIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)[C@H]1c1cccs1 ZINC000248761466 1124811086 /nfs/dbraw/zinc/81/10/86/1124811086.db2.gz DNDWXLQZLKINLM-UWJYYQICSA-N 2 2 366.534 4.311 20 0 FIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)[C@H]1c1cccs1 ZINC000248761466 1124811092 /nfs/dbraw/zinc/81/10/92/1124811092.db2.gz DNDWXLQZLKINLM-UWJYYQICSA-N 2 2 366.534 4.311 20 0 FIADLP Cc1cc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c(C)s1 ZINC001168686271 1124824354 /nfs/dbraw/zinc/82/43/54/1124824354.db2.gz QSVZKHDRATXRNH-SFHVURJKSA-N 2 2 357.567 4.228 20 0 FIADLP CC(C)c1nc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cs1 ZINC000248992751 1124834416 /nfs/dbraw/zinc/83/44/16/1124834416.db2.gz LJYTWMIXNKPLRK-APWZRJJASA-N 2 2 373.566 4.074 20 0 FIADLP CC(C)c1nc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cs1 ZINC000248992751 1124834424 /nfs/dbraw/zinc/83/44/24/1124834424.db2.gz LJYTWMIXNKPLRK-APWZRJJASA-N 2 2 373.566 4.074 20 0 FIADLP CC[N@@H+](Cc1csc(C(C)C)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108966 1124959818 /nfs/dbraw/zinc/95/98/18/1124959818.db2.gz CVHKUHQQXQDRHN-UHFFFAOYSA-N 2 2 358.555 4.400 20 0 FIADLP CC[N@H+](Cc1csc(C(C)C)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108966 1124959821 /nfs/dbraw/zinc/95/98/21/1124959821.db2.gz CVHKUHQQXQDRHN-UHFFFAOYSA-N 2 2 358.555 4.400 20 0 FIADLP CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000542952853 1124973984 /nfs/dbraw/zinc/97/39/84/1124973984.db2.gz CYJZSEYEHMUVCT-UHFFFAOYSA-N 2 2 371.529 4.009 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027662 1124976583 /nfs/dbraw/zinc/97/65/83/1124976583.db2.gz NKNBVWFZFORMCN-GCJKJVERSA-N 2 2 365.521 4.013 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027662 1124976586 /nfs/dbraw/zinc/97/65/86/1124976586.db2.gz NKNBVWFZFORMCN-GCJKJVERSA-N 2 2 365.521 4.013 20 0 FIADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H](C)c3ccncc3)CC1)CCCO2 ZINC000090667852 1125013283 /nfs/dbraw/zinc/01/32/83/1125013283.db2.gz HIGGEWLXSRLCOB-XMSQKQJNSA-N 2 2 365.521 4.419 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000090941022 1125029078 /nfs/dbraw/zinc/02/90/78/1125029078.db2.gz VABIVZDFGSKUJG-UWJYYQICSA-N 2 2 369.940 4.267 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000090941022 1125029086 /nfs/dbraw/zinc/02/90/86/1125029086.db2.gz VABIVZDFGSKUJG-UWJYYQICSA-N 2 2 369.940 4.267 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1nc2ccc(Cl)cc2n1C ZINC000091306974 1125063302 /nfs/dbraw/zinc/06/33/02/1125063302.db2.gz UNDLNFSSVRTVBH-AWEZNQCLSA-N 2 2 365.868 4.263 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nccn1-c1ccccc1 ZINC000672553119 1125168457 /nfs/dbraw/zinc/16/84/57/1125168457.db2.gz VFWKPGAIHAJUOR-JAXLGGSGSA-N 2 2 374.532 4.434 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccn1-c1ccccc1 ZINC000672553119 1125168460 /nfs/dbraw/zinc/16/84/60/1125168460.db2.gz VFWKPGAIHAJUOR-JAXLGGSGSA-N 2 2 374.532 4.434 20 0 FIADLP COc1cccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1OC ZINC000093318298 1125297992 /nfs/dbraw/zinc/29/79/92/1125297992.db2.gz ASSNEMDAKDGZPZ-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1OC ZINC000093318298 1125297994 /nfs/dbraw/zinc/29/79/94/1125297994.db2.gz ASSNEMDAKDGZPZ-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1OC ZINC000093318298 1125297997 /nfs/dbraw/zinc/29/79/97/1125297997.db2.gz ASSNEMDAKDGZPZ-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1OC ZINC000093318298 1125297999 /nfs/dbraw/zinc/29/79/99/1125297999.db2.gz ASSNEMDAKDGZPZ-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000093318380 1125298610 /nfs/dbraw/zinc/29/86/10/1125298610.db2.gz YZBHEANQTZZULH-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000093318380 1125298615 /nfs/dbraw/zinc/29/86/15/1125298615.db2.gz YZBHEANQTZZULH-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000093318380 1125298620 /nfs/dbraw/zinc/29/86/20/1125298620.db2.gz YZBHEANQTZZULH-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000093318380 1125298625 /nfs/dbraw/zinc/29/86/25/1125298625.db2.gz YZBHEANQTZZULH-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000093318383 1125298959 /nfs/dbraw/zinc/29/89/59/1125298959.db2.gz YZBHEANQTZZULH-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000093318383 1125298963 /nfs/dbraw/zinc/29/89/63/1125298963.db2.gz YZBHEANQTZZULH-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000093318383 1125298968 /nfs/dbraw/zinc/29/89/68/1125298968.db2.gz YZBHEANQTZZULH-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000093318383 1125298972 /nfs/dbraw/zinc/29/89/72/1125298972.db2.gz YZBHEANQTZZULH-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000093372784 1125316277 /nfs/dbraw/zinc/31/62/77/1125316277.db2.gz FODJVEWIGYDFEE-INIZCTEOSA-N 2 2 366.534 4.160 20 0 FIADLP Clc1ccc(Br)cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000602870103 568008895 /nfs/dbraw/zinc/00/88/95/568008895.db2.gz IGXVLXGFZDVXGG-AWEZNQCLSA-N 2 2 354.679 4.136 20 0 FIADLP Clc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000603710010 568137660 /nfs/dbraw/zinc/13/76/60/568137660.db2.gz LXEUKKAUBJYXKP-CQSZACIVSA-N 2 2 354.679 4.136 20 0 FIADLP Clc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000603710010 568137661 /nfs/dbraw/zinc/13/76/61/568137661.db2.gz LXEUKKAUBJYXKP-CQSZACIVSA-N 2 2 354.679 4.136 20 0 FIADLP Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000604219462 568230342 /nfs/dbraw/zinc/23/03/42/568230342.db2.gz ICVDYIMJNVATAC-ROUUACIJSA-N 2 2 367.493 4.175 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(Br)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390818607 568279346 /nfs/dbraw/zinc/27/93/46/568279346.db2.gz RECRYMICCQNRBF-ZBFHGGJFSA-N 2 2 363.299 4.042 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(Br)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390818607 568279348 /nfs/dbraw/zinc/27/93/48/568279348.db2.gz RECRYMICCQNRBF-ZBFHGGJFSA-N 2 2 363.299 4.042 20 0 FIADLP c1csc(C[N@H+](Cc2coc3ccccc23)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261899194 571160467 /nfs/dbraw/zinc/16/04/67/571160467.db2.gz WGVKFGLBYWYKOO-SFHVURJKSA-N 2 2 353.491 4.034 20 0 FIADLP c1csc(C[N@@H+](Cc2coc3ccccc23)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261899194 571160470 /nfs/dbraw/zinc/16/04/70/571160470.db2.gz WGVKFGLBYWYKOO-SFHVURJKSA-N 2 2 353.491 4.034 20 0 FIADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(C4CC4)[nH+]3)C[C@H]21 ZINC001165027552 721830629 /nfs/dbraw/zinc/83/06/29/721830629.db2.gz SPGRWOGLKOHKFN-SYYKKAFVSA-N 2 2 362.521 4.091 20 0 FIADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(C4CC4)[nH+]3)C[C@H]21 ZINC001165027552 721830631 /nfs/dbraw/zinc/83/06/31/721830631.db2.gz SPGRWOGLKOHKFN-SYYKKAFVSA-N 2 2 362.521 4.091 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@@H+]1C ZINC000093643617 1125471291 /nfs/dbraw/zinc/47/12/91/1125471291.db2.gz OCHWOOKPJCINQH-LSDHHAIUSA-N 2 2 355.507 4.471 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@H+]1C ZINC000093643617 1125471296 /nfs/dbraw/zinc/47/12/96/1125471296.db2.gz OCHWOOKPJCINQH-LSDHHAIUSA-N 2 2 355.507 4.471 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-c3nc4ccccc4s3)o2)CC[NH+]1C ZINC000093643617 1125471301 /nfs/dbraw/zinc/47/13/01/1125471301.db2.gz OCHWOOKPJCINQH-LSDHHAIUSA-N 2 2 355.507 4.471 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3nc4ccccc4s3)o2)CC[NH+]1C ZINC000093643617 1125471306 /nfs/dbraw/zinc/47/13/06/1125471306.db2.gz OCHWOOKPJCINQH-LSDHHAIUSA-N 2 2 355.507 4.471 20 0 FIADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OCc1cccs1 ZINC000093644663 1125471996 /nfs/dbraw/zinc/47/19/96/1125471996.db2.gz QPQBZCHXQIJQID-AEFFLSMTSA-N 2 2 374.550 4.250 20 0 FIADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OCc1cccs1 ZINC000093644663 1125472003 /nfs/dbraw/zinc/47/20/03/1125472003.db2.gz QPQBZCHXQIJQID-AEFFLSMTSA-N 2 2 374.550 4.250 20 0 FIADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1cccs1 ZINC000093644663 1125472008 /nfs/dbraw/zinc/47/20/08/1125472008.db2.gz QPQBZCHXQIJQID-AEFFLSMTSA-N 2 2 374.550 4.250 20 0 FIADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1cccs1 ZINC000093644663 1125472016 /nfs/dbraw/zinc/47/20/16/1125472016.db2.gz QPQBZCHXQIJQID-AEFFLSMTSA-N 2 2 374.550 4.250 20 0 FIADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000093770566 1125520953 /nfs/dbraw/zinc/52/09/53/1125520953.db2.gz FQUOEIZJGUJWSL-OAQYLSRUSA-N 2 2 368.521 4.048 20 0 FIADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000093770566 1125520957 /nfs/dbraw/zinc/52/09/57/1125520957.db2.gz FQUOEIZJGUJWSL-OAQYLSRUSA-N 2 2 368.521 4.048 20 0 FIADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000093770566 1125520963 /nfs/dbraw/zinc/52/09/63/1125520963.db2.gz FQUOEIZJGUJWSL-OAQYLSRUSA-N 2 2 368.521 4.048 20 0 FIADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000093770566 1125520970 /nfs/dbraw/zinc/52/09/70/1125520970.db2.gz FQUOEIZJGUJWSL-OAQYLSRUSA-N 2 2 368.521 4.048 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+]CCSCc1ccccc1)c1ccccc1 ZINC000619535493 1125615069 /nfs/dbraw/zinc/61/50/69/1125615069.db2.gz GMDVSYSNGFSVQQ-FQEVSTJZSA-N 2 2 351.519 4.227 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000152800933 1125656431 /nfs/dbraw/zinc/65/64/31/1125656431.db2.gz YYKNKRXTYCGJRQ-ZWKOTPCHSA-N 2 2 364.468 4.189 20 0 FIADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000153018927 1125718756 /nfs/dbraw/zinc/71/87/56/1125718756.db2.gz JBFSEVAWAVPXBV-GCJKJVERSA-N 2 2 350.506 4.165 20 0 FIADLP CCc1noc(CC)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579711380 1079567332 /nfs/dbraw/zinc/56/73/32/1079567332.db2.gz DWWOMUZKWZXEBR-SFHVURJKSA-N 2 2 353.510 4.086 20 0 FIADLP CCc1noc(CC)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579711380 1079567338 /nfs/dbraw/zinc/56/73/38/1079567338.db2.gz DWWOMUZKWZXEBR-SFHVURJKSA-N 2 2 353.510 4.086 20 0 FIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)s1 ZINC000430196331 1079878855 /nfs/dbraw/zinc/87/88/55/1079878855.db2.gz LUTKVCYCXCKRQG-HNNXBMFYSA-N 2 2 367.971 4.225 20 0 FIADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)s1 ZINC000430196331 1079878871 /nfs/dbraw/zinc/87/88/71/1079878871.db2.gz LUTKVCYCXCKRQG-HNNXBMFYSA-N 2 2 367.971 4.225 20 0 FIADLP C[N@H+](Cc1ccc2c(c1)CCCC2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000430242477 1080070812 /nfs/dbraw/zinc/07/08/12/1080070812.db2.gz XYHRSTOSCRVCSY-UHFFFAOYSA-N 2 2 363.549 4.099 20 0 FIADLP C[N@@H+](Cc1ccc2c(c1)CCCC2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000430242477 1080070818 /nfs/dbraw/zinc/07/08/18/1080070818.db2.gz XYHRSTOSCRVCSY-UHFFFAOYSA-N 2 2 363.549 4.099 20 0 FIADLP CC(C)[NH2+]C1CC[NH+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000179837179 1080329933 /nfs/dbraw/zinc/32/99/33/1080329933.db2.gz TZAPLIFMLUEBTC-UHFFFAOYSA-N 2 2 356.485 4.367 20 0 FIADLP CCc1nc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001648808309 1081111476 /nfs/dbraw/zinc/11/14/76/1081111476.db2.gz JVKMTBBFIISCQS-CALCHBBNSA-N 2 2 357.567 4.473 20 0 FIADLP CCc1nc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001648808309 1081111481 /nfs/dbraw/zinc/11/14/81/1081111481.db2.gz JVKMTBBFIISCQS-CALCHBBNSA-N 2 2 357.567 4.473 20 0 FIADLP Cc1nc(-c2ccc([C@H](C)[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)cs1 ZINC000655698786 1081124557 /nfs/dbraw/zinc/12/45/57/1081124557.db2.gz VVODVZYOYUFFKK-MGPUTAFESA-N 2 2 371.550 4.022 20 0 FIADLP Cc1nc(-c2ccc([C@H](C)[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)cs1 ZINC000655698788 1081124638 /nfs/dbraw/zinc/12/46/38/1081124638.db2.gz VVODVZYOYUFFKK-YWZLYKJASA-N 2 2 371.550 4.022 20 0 FIADLP c1ccc(Sc2ccccc2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655712824 1081131016 /nfs/dbraw/zinc/13/10/16/1081131016.db2.gz VUMURBXIPZQCAV-HXUWFJFHSA-N 2 2 368.546 4.181 20 0 FIADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2oc3ccccc3c2Br)C1 ZINC000655722110 1081141010 /nfs/dbraw/zinc/14/10/10/1081141010.db2.gz XIRAXKGNSIHYKJ-ZDUSSCGKSA-N 2 2 351.288 4.015 20 0 FIADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2oc3ccccc3c2Br)C1 ZINC000655722110 1081141016 /nfs/dbraw/zinc/14/10/16/1081141016.db2.gz XIRAXKGNSIHYKJ-ZDUSSCGKSA-N 2 2 351.288 4.015 20 0 FIADLP Fc1ccc([C@H](CC(F)(F)F)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655735341 1081156357 /nfs/dbraw/zinc/15/63/57/1081156357.db2.gz HLRVLQJYXZCWGZ-MSOLQXFVSA-N 2 2 374.422 4.052 20 0 FIADLP c1cn(-c2csc(C[NH2+]CCc3ccc(N4CCCCC4)cc3)c2)c[nH+]1 ZINC001648876600 1081337167 /nfs/dbraw/zinc/33/71/67/1081337167.db2.gz NSHHXBNRVHWDQT-UHFFFAOYSA-N 2 2 366.534 4.256 20 0 FIADLP COC[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(Cl)cc1 ZINC000683818014 1081625863 /nfs/dbraw/zinc/62/58/63/1081625863.db2.gz DHAWTUQCKFBRLW-WOJBJXKFSA-N 2 2 369.896 4.335 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)cs2)C[C@@H]1c1ccccc1 ZINC000580174937 1081733163 /nfs/dbraw/zinc/73/31/63/1081733163.db2.gz WYSXDTOWVFCAGJ-DOTOQJQBSA-N 2 2 365.340 4.436 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)cs2)C[C@@H]1c1ccccc1 ZINC000580174937 1081733164 /nfs/dbraw/zinc/73/31/64/1081733164.db2.gz WYSXDTOWVFCAGJ-DOTOQJQBSA-N 2 2 365.340 4.436 20 0 FIADLP COc1cccc(C2([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)CC2)c1 ZINC000564450758 1082521850 /nfs/dbraw/zinc/52/18/50/1082521850.db2.gz DTLYJWYOHGXNIJ-NRFANRHFSA-N 2 2 362.517 4.471 20 0 FIADLP COc1cccc(C2([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)CC2)c1 ZINC000564450758 1082521858 /nfs/dbraw/zinc/52/18/58/1082521858.db2.gz DTLYJWYOHGXNIJ-NRFANRHFSA-N 2 2 362.517 4.471 20 0 FIADLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cnn1C(C)(C)C ZINC000276333979 1082638756 /nfs/dbraw/zinc/63/87/56/1082638756.db2.gz JBIHDPOWTGZCJS-MRXNPFEDSA-N 2 2 351.498 4.042 20 0 FIADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000581634969 1082733736 /nfs/dbraw/zinc/73/37/36/1082733736.db2.gz NJCRVNWWHCWXIK-UHFFFAOYSA-N 3 2 354.523 4.018 20 0 FIADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000581634969 1082733741 /nfs/dbraw/zinc/73/37/41/1082733741.db2.gz NJCRVNWWHCWXIK-UHFFFAOYSA-N 3 2 354.523 4.018 20 0 FIADLP CCC[NH+]1CCC([N@H+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000510466866 1082916996 /nfs/dbraw/zinc/91/69/96/1082916996.db2.gz CDHYSCOWDJZMDZ-UHFFFAOYSA-N 2 2 360.933 4.140 20 0 FIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000510466866 1082917000 /nfs/dbraw/zinc/91/70/00/1082917000.db2.gz CDHYSCOWDJZMDZ-UHFFFAOYSA-N 2 2 360.933 4.140 20 0 FIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000891562263 1082939289 /nfs/dbraw/zinc/93/92/89/1082939289.db2.gz RRCCOZYBXAZPJM-UHFFFAOYSA-N 2 2 367.559 4.400 20 0 FIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000891562263 1082939293 /nfs/dbraw/zinc/93/92/93/1082939293.db2.gz RRCCOZYBXAZPJM-UHFFFAOYSA-N 2 2 367.559 4.400 20 0 FIADLP Cc1nc2ccccc2nc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246279162 1083013473 /nfs/dbraw/zinc/01/34/73/1083013473.db2.gz BTWZXXSPBAAEGQ-MJGOQNOKSA-N 2 2 352.526 4.025 20 0 FIADLP Cc1nc2ccccc2nc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246279162 1083013479 /nfs/dbraw/zinc/01/34/79/1083013479.db2.gz BTWZXXSPBAAEGQ-MJGOQNOKSA-N 2 2 352.526 4.025 20 0 FIADLP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246279162 1083013488 /nfs/dbraw/zinc/01/34/88/1083013488.db2.gz BTWZXXSPBAAEGQ-MJGOQNOKSA-N 2 2 352.526 4.025 20 0 FIADLP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246279162 1083013494 /nfs/dbraw/zinc/01/34/94/1083013494.db2.gz BTWZXXSPBAAEGQ-MJGOQNOKSA-N 2 2 352.526 4.025 20 0 FIADLP CCCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(OCCC)c1 ZINC000510533172 1083143453 /nfs/dbraw/zinc/14/34/53/1083143453.db2.gz JIVAMAGUHCIUKV-SFHVURJKSA-N 2 2 357.498 4.367 20 0 FIADLP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000510658929 1083225159 /nfs/dbraw/zinc/22/51/59/1083225159.db2.gz VUCJXYAWGIAXMC-IAGOWNOFSA-N 2 2 373.491 4.496 20 0 FIADLP COCCC[NH+]1CCC([NH2+][C@@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510706972 1083250565 /nfs/dbraw/zinc/25/05/65/1083250565.db2.gz WFQLPXWRRDZJSZ-QHCPKHFHSA-N 2 2 370.512 4.314 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2cc(OC)ccc2c1 ZINC000658292152 1083395636 /nfs/dbraw/zinc/39/56/36/1083395636.db2.gz OERLWKFXSDNLIT-GMAHTHKFSA-N 2 2 368.521 4.142 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(-c2ccccc2)s1 ZINC000658293064 1083395838 /nfs/dbraw/zinc/39/58/38/1083395838.db2.gz CPDLTMJZNOMOPV-VQIMIIECSA-N 2 2 356.535 4.319 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000658292198 1083396537 /nfs/dbraw/zinc/39/65/37/1083396537.db2.gz QMCZLNGQDRDRDO-YJBOKZPZSA-N 2 2 357.325 4.287 20 0 FIADLP Clc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCC2 ZINC000535685451 1083577501 /nfs/dbraw/zinc/57/75/01/1083577501.db2.gz JRABAMSGNWHDOW-JOCHJYFZSA-N 2 2 370.924 4.339 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181345994 1083877751 /nfs/dbraw/zinc/87/77/51/1083877751.db2.gz WVBSKJMPGYVMIH-MRXNPFEDSA-N 2 2 350.466 4.295 20 0 FIADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC[C@H]1[NH3+] ZINC000647497762 1084248435 /nfs/dbraw/zinc/24/84/35/1084248435.db2.gz UEDYWWUOQZEPBI-MLGOLLRUSA-N 2 2 369.456 4.388 20 0 FIADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC[C@H]1[NH3+] ZINC000647497762 1084248447 /nfs/dbraw/zinc/24/84/47/1084248447.db2.gz UEDYWWUOQZEPBI-MLGOLLRUSA-N 2 2 369.456 4.388 20 0 FIADLP Cc1ncsc1-c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000657311239 1084400330 /nfs/dbraw/zinc/40/03/30/1084400330.db2.gz YSRGSQWDYDCUMJ-UHFFFAOYSA-N 2 2 364.518 4.272 20 0 FIADLP CC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000511054090 1084432868 /nfs/dbraw/zinc/43/28/68/1084432868.db2.gz ILKQPFFGEREAQJ-NAVOZUGXSA-N 2 2 364.533 4.059 20 0 FIADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000511054090 1084432873 /nfs/dbraw/zinc/43/28/73/1084432873.db2.gz ILKQPFFGEREAQJ-NAVOZUGXSA-N 2 2 364.533 4.059 20 0 FIADLP C[NH+](Cc1cccs1)Cc1cncc(C[N@H+](C)Cc2cccs2)c1 ZINC000582043608 1084507460 /nfs/dbraw/zinc/50/74/60/1084507460.db2.gz NAUDMTQEQSNMKT-UHFFFAOYSA-N 2 2 357.548 4.469 20 0 FIADLP C[NH+](Cc1cccs1)Cc1cncc(C[N@@H+](C)Cc2cccs2)c1 ZINC000582043608 1084507467 /nfs/dbraw/zinc/50/74/67/1084507467.db2.gz NAUDMTQEQSNMKT-UHFFFAOYSA-N 2 2 357.548 4.469 20 0 FIADLP COc1ccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(C)c1 ZINC000414099227 1084555235 /nfs/dbraw/zinc/55/52/35/1084555235.db2.gz QARVLLAOXAXHBF-KRWDZBQOSA-N 2 2 368.525 4.102 20 0 FIADLP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000582268090 1084817723 /nfs/dbraw/zinc/81/77/23/1084817723.db2.gz YMETZCCVNHSLQQ-MAUKXSAKSA-N 2 2 351.332 4.460 20 0 FIADLP C[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000582268090 1084817734 /nfs/dbraw/zinc/81/77/34/1084817734.db2.gz YMETZCCVNHSLQQ-MAUKXSAKSA-N 2 2 351.332 4.460 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccc(F)cc2F)CC[N@@H+]1C ZINC000657382588 1084824379 /nfs/dbraw/zinc/82/43/79/1084824379.db2.gz SATASBNTFUZYQP-HNAYVOBHSA-N 2 2 360.448 4.116 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccc(F)cc2F)CC[N@H+]1C ZINC000657382588 1084824385 /nfs/dbraw/zinc/82/43/85/1084824385.db2.gz SATASBNTFUZYQP-HNAYVOBHSA-N 2 2 360.448 4.116 20 0 FIADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1nc2ccccc2n1C(F)F ZINC000116396205 1085359989 /nfs/dbraw/zinc/35/99/89/1085359989.db2.gz TXDXIZJXKDFCRR-CJNGLKHVSA-N 2 2 352.473 4.448 20 0 FIADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(c4ccc(F)cc4)CC3)CC2)cc1 ZINC000161365984 1085379319 /nfs/dbraw/zinc/37/93/19/1085379319.db2.gz XWSKWCZAWNQBLL-UHFFFAOYSA-N 2 2 367.512 4.182 20 0 FIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc2c1cccc2Br ZINC000563438355 1085403479 /nfs/dbraw/zinc/40/34/79/1085403479.db2.gz AJQXCNJRMGKGME-NSHDSACASA-N 2 2 350.285 4.039 20 0 FIADLP COc1cc(OC)c(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1F ZINC000651738613 1085435754 /nfs/dbraw/zinc/43/57/54/1085435754.db2.gz RKQQSJCNRYCLED-CQSZACIVSA-N 2 2 369.440 4.188 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652353468 1085936302 /nfs/dbraw/zinc/93/63/02/1085936302.db2.gz LGVQNMACBYADJN-XLIONFOSSA-N 2 2 359.558 4.321 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652353468 1085936306 /nfs/dbraw/zinc/93/63/06/1085936306.db2.gz LGVQNMACBYADJN-XLIONFOSSA-N 2 2 359.558 4.321 20 0 FIADLP C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663350558 1086450832 /nfs/dbraw/zinc/45/08/32/1086450832.db2.gz BBEBEMMZOXTBIP-AWEZNQCLSA-N 2 2 363.490 4.056 20 0 FIADLP CC1(C)C[C@]1(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000663370140 1086468722 /nfs/dbraw/zinc/46/87/22/1086468722.db2.gz WSSDEXQVQMFMCU-IBGZPJMESA-N 2 2 354.460 4.361 20 0 FIADLP c1cn(-c2ccc(-c3noc([C@H]4CC[C@@H](c5ccccc5)C[NH2+]4)n3)cc2)c[nH+]1 ZINC001211577613 1086617348 /nfs/dbraw/zinc/61/73/48/1086617348.db2.gz VYEXCTMBZAXGPF-UYAOXDASSA-N 2 2 371.444 4.131 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cn1 ZINC000126464347 1086624516 /nfs/dbraw/zinc/62/45/16/1086624516.db2.gz ZERMBAPTYNVVGY-ZDUSSCGKSA-N 2 2 358.392 4.028 20 0 FIADLP Cc1cc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)sc1Br ZINC000512005766 1086633550 /nfs/dbraw/zinc/63/35/50/1086633550.db2.gz FGWGTBKUXQKROT-LBPRGKRZSA-N 2 2 354.317 4.367 20 0 FIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(-c2ccncc2)c1 ZINC000156275929 1086665531 /nfs/dbraw/zinc/66/55/31/1086665531.db2.gz YODXQCRDHUEZTG-SFHVURJKSA-N 2 2 358.489 4.463 20 0 FIADLP c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583440209 1086688698 /nfs/dbraw/zinc/68/86/98/1086688698.db2.gz RMIFSMIJGCWURF-QFIPXVFZSA-N 2 2 372.516 4.159 20 0 FIADLP c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583440209 1086688712 /nfs/dbraw/zinc/68/87/12/1086688712.db2.gz RMIFSMIJGCWURF-QFIPXVFZSA-N 2 2 372.516 4.159 20 0 FIADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000318739412 1086905182 /nfs/dbraw/zinc/90/51/82/1086905182.db2.gz WADZPQVLGOMISE-RHSMWYFYSA-N 2 2 364.331 4.281 20 0 FIADLP Fc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCn2cc[nH+]c2)CCC3)cc1 ZINC000151152423 1086972696 /nfs/dbraw/zinc/97/26/96/1086972696.db2.gz GZWRPGQSGKZUDL-MRXNPFEDSA-N 2 2 356.470 4.203 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cnn(Cc2ccccc2)c1 ZINC000151349764 1087092940 /nfs/dbraw/zinc/09/29/40/1087092940.db2.gz YHOJTHYSUGFVIT-LJQANCHMSA-N 2 2 371.488 4.027 20 0 FIADLP CC[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)OCCO2 ZINC000151678569 1087199859 /nfs/dbraw/zinc/19/98/59/1087199859.db2.gz DBXTVHBGGDEMCU-UZLBHIALSA-N 2 2 363.461 4.445 20 0 FIADLP CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000584284932 1087246776 /nfs/dbraw/zinc/24/67/76/1087246776.db2.gz SZMNTAQJUNESKK-LJQANCHMSA-N 2 2 368.521 4.157 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000089214180 1087380506 /nfs/dbraw/zinc/38/05/06/1087380506.db2.gz AWSHRXAYJDITPN-URZJWIJPSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000089214180 1087380514 /nfs/dbraw/zinc/38/05/14/1087380514.db2.gz AWSHRXAYJDITPN-URZJWIJPSA-N 2 2 353.485 4.098 20 0 FIADLP COc1ccccc1SC[C@H](C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000089515658 1087395655 /nfs/dbraw/zinc/39/56/55/1087395655.db2.gz KRKISVCLMUQSHG-QGZVFWFLSA-N 2 2 371.550 4.077 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000090920011 1087411270 /nfs/dbraw/zinc/41/12/70/1087411270.db2.gz CELNMENXGWBWAV-GCJKJVERSA-N 3 2 369.528 4.030 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000090920011 1087411277 /nfs/dbraw/zinc/41/12/77/1087411277.db2.gz CELNMENXGWBWAV-GCJKJVERSA-N 3 2 369.528 4.030 20 0 FIADLP C[NH+]1CCC([N@H+](CCc2ccc(Br)cc2)C2CCCC2)CC1 ZINC001207383792 1087446606 /nfs/dbraw/zinc/44/66/06/1087446606.db2.gz HEQDHYUXBGJHLC-UHFFFAOYSA-N 2 2 365.359 4.330 20 0 FIADLP C[NH+]1CCC([N@@H+](CCc2ccc(Br)cc2)C2CCCC2)CC1 ZINC001207383792 1087446611 /nfs/dbraw/zinc/44/66/11/1087446611.db2.gz HEQDHYUXBGJHLC-UHFFFAOYSA-N 2 2 365.359 4.330 20 0 FIADLP OCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1F ZINC000647346520 1087542585 /nfs/dbraw/zinc/54/25/85/1087542585.db2.gz XAESPITWKOVJAP-GJPOJAMWSA-N 2 2 368.496 4.034 20 0 FIADLP OCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1F ZINC000647346520 1087542587 /nfs/dbraw/zinc/54/25/87/1087542587.db2.gz XAESPITWKOVJAP-GJPOJAMWSA-N 2 2 368.496 4.034 20 0 FIADLP CSc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000685621666 1087644020 /nfs/dbraw/zinc/64/40/20/1087644020.db2.gz KSKFMJOPYHXSFJ-UHFFFAOYSA-N 2 2 364.502 4.365 20 0 FIADLP Fc1cccc(C[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2cccc(F)c2)c1 ZINC000685662200 1087667500 /nfs/dbraw/zinc/66/75/00/1087667500.db2.gz YURMJIUUJPPSSG-QUCCMNQESA-N 2 2 353.416 4.119 20 0 FIADLP Fc1cccc(C[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cccc(F)c2)c1 ZINC000685662198 1087667684 /nfs/dbraw/zinc/66/76/84/1087667684.db2.gz YURMJIUUJPPSSG-AZUAARDMSA-N 2 2 353.416 4.119 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000093318407 1087688216 /nfs/dbraw/zinc/68/82/16/1087688216.db2.gz UCEBUKCDPORQEE-PXNSSMCTSA-N 2 2 354.542 4.192 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000093318407 1087688217 /nfs/dbraw/zinc/68/82/17/1087688217.db2.gz UCEBUKCDPORQEE-PXNSSMCTSA-N 2 2 354.542 4.192 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000093318407 1087688219 /nfs/dbraw/zinc/68/82/19/1087688219.db2.gz UCEBUKCDPORQEE-PXNSSMCTSA-N 2 2 354.542 4.192 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2c[nH]nc2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000093318407 1087688220 /nfs/dbraw/zinc/68/82/20/1087688220.db2.gz UCEBUKCDPORQEE-PXNSSMCTSA-N 2 2 354.542 4.192 20 0 FIADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)c(Cl)c1 ZINC000658018826 1087699578 /nfs/dbraw/zinc/69/95/78/1087699578.db2.gz GEXQIAJGAQHZRJ-MWLCHTKSSA-N 2 2 354.679 4.034 20 0 FIADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(Cl)c1 ZINC000424261045 1087883526 /nfs/dbraw/zinc/88/35/26/1087883526.db2.gz OSSAYGWXHXJZNJ-INIZCTEOSA-N 2 2 374.912 4.032 20 0 FIADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(Cl)c1 ZINC000424274702 1087906945 /nfs/dbraw/zinc/90/69/45/1087906945.db2.gz ZCYBQAYHNFJKRQ-HNNXBMFYSA-N 2 2 355.869 4.444 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1F ZINC000162296159 1087919015 /nfs/dbraw/zinc/91/90/15/1087919015.db2.gz BIZPUPQIXFBQGG-MRXNPFEDSA-N 2 2 371.500 4.220 20 0 FIADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CC2 ZINC000134404947 1088038440 /nfs/dbraw/zinc/03/84/40/1088038440.db2.gz PWLOLYVBLCKFLH-UGSOOPFHSA-N 2 2 369.336 4.071 20 0 FIADLP c1cn(-c2ccc(C[NH2+]Cc3ccnc(Oc4ccccc4)c3)cc2)c[nH+]1 ZINC000030901783 1088126757 /nfs/dbraw/zinc/12/67/57/1088126757.db2.gz XMHJFKIBTUWPRJ-UHFFFAOYSA-N 2 2 356.429 4.349 20 0 FIADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2csc(C(F)(F)F)n2)c1 ZINC000892696848 1088734191 /nfs/dbraw/zinc/73/41/91/1088734191.db2.gz NNSHAYHNIHDZGA-UHFFFAOYSA-N 2 2 357.445 4.292 20 0 FIADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2csc(C(F)(F)F)n2)c1 ZINC000892696848 1088734200 /nfs/dbraw/zinc/73/42/00/1088734200.db2.gz NNSHAYHNIHDZGA-UHFFFAOYSA-N 2 2 357.445 4.292 20 0 FIADLP CCc1noc(C2CCC([NH2+]C[C@H]([NH3+])c3ccc(C(C)C)cc3)CC2)n1 ZINC000414847172 1088763800 /nfs/dbraw/zinc/76/38/00/1088763800.db2.gz OKXIKOYJNNEDQW-ACBHZAAOSA-N 2 2 356.514 4.071 20 0 FIADLP CC(C)(C)c1csc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000434681886 1088951542 /nfs/dbraw/zinc/95/15/42/1088951542.db2.gz SUUDRDOKRQQCDI-UHFFFAOYSA-N 2 2 358.555 4.353 20 0 FIADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000415054782 1089102539 /nfs/dbraw/zinc/10/25/39/1089102539.db2.gz MUJATIOWTWTBLB-SFHVURJKSA-N 2 2 359.901 4.055 20 0 FIADLP Fc1cccc(-c2ccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)c1F ZINC000435057532 1089245208 /nfs/dbraw/zinc/24/52/08/1089245208.db2.gz QSVVBPRVPULAIU-MRXNPFEDSA-N 2 2 356.372 4.273 20 0 FIADLP Fc1cccc(-c2ccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)c1F ZINC000435057532 1089245215 /nfs/dbraw/zinc/24/52/15/1089245215.db2.gz QSVVBPRVPULAIU-MRXNPFEDSA-N 2 2 356.372 4.273 20 0 FIADLP Cc1ccc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c(-c2cnn(C)c2)c1 ZINC000549243112 1089357108 /nfs/dbraw/zinc/35/71/08/1089357108.db2.gz NMXLLXAHNAYENB-DEOSSOPVSA-N 2 2 374.532 4.322 20 0 FIADLP CC(C)c1ccc(NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000783031825 1089467999 /nfs/dbraw/zinc/46/79/99/1089467999.db2.gz TTXCASOOXPQOBZ-UHFFFAOYSA-N 2 2 368.525 4.137 20 0 FIADLP Cc1ncsc1C[N@H+](Cc1c(C)oc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC000435435269 1089659361 /nfs/dbraw/zinc/65/93/61/1089659361.db2.gz ATTBFKKZZDFZNG-INIZCTEOSA-N 2 2 355.507 4.118 20 0 FIADLP Cc1ncsc1C[N@@H+](Cc1c(C)oc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC000435435269 1089659367 /nfs/dbraw/zinc/65/93/67/1089659367.db2.gz ATTBFKKZZDFZNG-INIZCTEOSA-N 2 2 355.507 4.118 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1F ZINC000162296022 1089927752 /nfs/dbraw/zinc/92/77/52/1089927752.db2.gz BIZPUPQIXFBQGG-INIZCTEOSA-N 2 2 371.500 4.220 20 0 FIADLP CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cn1 ZINC000435781230 1089942278 /nfs/dbraw/zinc/94/22/78/1089942278.db2.gz HNYSEKWMXXPADW-UHFFFAOYSA-N 2 2 369.472 4.325 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000182094238 1090048398 /nfs/dbraw/zinc/04/83/98/1090048398.db2.gz YRVMAUVLWQNFLI-KRWDZBQOSA-N 2 2 364.468 4.076 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000182094238 1090048409 /nfs/dbraw/zinc/04/84/09/1090048409.db2.gz YRVMAUVLWQNFLI-KRWDZBQOSA-N 2 2 364.468 4.076 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000893202363 1090293434 /nfs/dbraw/zinc/29/34/34/1090293434.db2.gz GQMIYVXXZFLRLK-AWEZNQCLSA-N 2 2 363.427 4.474 20 0 FIADLP CC1(C)C[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CO1 ZINC000417911870 1090992162 /nfs/dbraw/zinc/99/21/62/1090992162.db2.gz NMAYMDUEAUGSPK-NRFANRHFSA-N 2 2 361.489 4.256 20 0 FIADLP CCOc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000651489757 1091164075 /nfs/dbraw/zinc/16/40/75/1091164075.db2.gz JFGMWLXGWSKKKO-MRXNPFEDSA-N 2 2 372.475 4.270 20 0 FIADLP C[C@H]([NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)c1cnn(C)c1 ZINC000390577016 1091277079 /nfs/dbraw/zinc/27/70/79/1091277079.db2.gz FWMLBMLHYMBFPM-FQEVSTJZSA-N 2 2 362.521 4.163 20 0 FIADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(OC)c1 ZINC000390635338 1091342332 /nfs/dbraw/zinc/34/23/32/1091342332.db2.gz JUSUSPBXZAEDSQ-JOCHJYFZSA-N 2 2 368.521 4.094 20 0 FIADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(OC)c1 ZINC000390635338 1091342344 /nfs/dbraw/zinc/34/23/44/1091342344.db2.gz JUSUSPBXZAEDSQ-JOCHJYFZSA-N 2 2 368.521 4.094 20 0 FIADLP C[N@H+](CCC[NH2+]Cc1cc(Br)cs1)Cc1ccccc1 ZINC000020307108 1091445760 /nfs/dbraw/zinc/44/57/60/1091445760.db2.gz DXZFCWBNWJLTIQ-UHFFFAOYSA-N 2 2 353.329 4.122 20 0 FIADLP C[N@@H+](CCC[NH2+]Cc1cc(Br)cs1)Cc1ccccc1 ZINC000020307108 1091445768 /nfs/dbraw/zinc/44/57/68/1091445768.db2.gz DXZFCWBNWJLTIQ-UHFFFAOYSA-N 2 2 353.329 4.122 20 0 FIADLP Cc1[nH+]cc(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1-c1ccccc1 ZINC000512192210 1091850916 /nfs/dbraw/zinc/85/09/16/1091850916.db2.gz AGTZRPOYXZEGRU-PZJWPPBQSA-N 2 2 366.553 4.267 20 0 FIADLP Cc1[nH+]cc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1-c1ccccc1 ZINC000512192210 1091850924 /nfs/dbraw/zinc/85/09/24/1091850924.db2.gz AGTZRPOYXZEGRU-PZJWPPBQSA-N 2 2 366.553 4.267 20 0 FIADLP CC[NH+](CC)CCN(Cc1c[nH+]cn1C)Cc1ccc(Cl)c(Cl)c1 ZINC000512298730 1092016580 /nfs/dbraw/zinc/01/65/80/1092016580.db2.gz IWVYWPSFXWZWQE-UHFFFAOYSA-N 2 2 369.340 4.071 20 0 FIADLP Cc1nn(C(C)C)cc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000467434797 1092234864 /nfs/dbraw/zinc/23/48/64/1092234864.db2.gz FOOQXPFNLGDBJC-XMSQKQJNSA-N 2 2 354.542 4.257 20 0 FIADLP Cc1nn(C(C)C)cc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000467434797 1092234873 /nfs/dbraw/zinc/23/48/73/1092234873.db2.gz FOOQXPFNLGDBJC-XMSQKQJNSA-N 2 2 354.542 4.257 20 0 FIADLP Cc1nn(C(C)C)cc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000467434797 1092234882 /nfs/dbraw/zinc/23/48/82/1092234882.db2.gz FOOQXPFNLGDBJC-XMSQKQJNSA-N 2 2 354.542 4.257 20 0 FIADLP Cc1nn(C(C)C)cc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000467434797 1092234896 /nfs/dbraw/zinc/23/48/96/1092234896.db2.gz FOOQXPFNLGDBJC-XMSQKQJNSA-N 2 2 354.542 4.257 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000474026379 1092254338 /nfs/dbraw/zinc/25/43/38/1092254338.db2.gz DSTUOBUGUZNIOE-PXNSSMCTSA-N 2 2 364.489 4.442 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000474026379 1092254358 /nfs/dbraw/zinc/25/43/58/1092254358.db2.gz DSTUOBUGUZNIOE-PXNSSMCTSA-N 2 2 364.489 4.442 20 0 FIADLP CCCc1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000428236209 1092306343 /nfs/dbraw/zinc/30/63/43/1092306343.db2.gz GOZYFIWTOFWOEB-YLJYHZDGSA-N 2 2 355.526 4.420 20 0 FIADLP CCCc1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000428236209 1092306354 /nfs/dbraw/zinc/30/63/54/1092306354.db2.gz GOZYFIWTOFWOEB-YLJYHZDGSA-N 2 2 355.526 4.420 20 0 FIADLP CCCc1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000428236209 1092306364 /nfs/dbraw/zinc/30/63/64/1092306364.db2.gz GOZYFIWTOFWOEB-YLJYHZDGSA-N 2 2 355.526 4.420 20 0 FIADLP CCCc1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000428236209 1092306380 /nfs/dbraw/zinc/30/63/80/1092306380.db2.gz GOZYFIWTOFWOEB-YLJYHZDGSA-N 2 2 355.526 4.420 20 0 FIADLP Cc1c(F)cccc1-c1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)o1 ZINC000236808898 1092426945 /nfs/dbraw/zinc/42/69/45/1092426945.db2.gz DPQLLWUKPHUXTM-UHFFFAOYSA-N 2 2 374.500 4.373 20 0 FIADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OCc1ccccc1 ZINC000432812214 1092473705 /nfs/dbraw/zinc/47/37/05/1092473705.db2.gz HOLBQRGOIPMIKQ-NRFANRHFSA-N 2 2 368.521 4.190 20 0 FIADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OCc1ccccc1 ZINC000432812214 1092473710 /nfs/dbraw/zinc/47/37/10/1092473710.db2.gz HOLBQRGOIPMIKQ-NRFANRHFSA-N 2 2 368.521 4.190 20 0 FIADLP c1sc(Nc2ccccc2)nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047969906 1092742614 /nfs/dbraw/zinc/74/26/14/1092742614.db2.gz WPQNRGODMCWXLN-UHFFFAOYSA-N 2 2 356.539 4.195 20 0 FIADLP COc1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1O ZINC000521695265 1092861787 /nfs/dbraw/zinc/86/17/87/1092861787.db2.gz NSBNLLLBHPRCSH-PXNSSMCTSA-N 2 2 365.477 4.306 20 0 FIADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1nc(C2CC2)cs1 ZINC000469756084 1092882122 /nfs/dbraw/zinc/88/21/22/1092882122.db2.gz FEYCHTAEDNOGTQ-HOTGVXAUSA-N 2 2 355.551 4.267 20 0 FIADLP CCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccsc1 ZINC000443101791 1092942039 /nfs/dbraw/zinc/94/20/39/1092942039.db2.gz FHKKOHLHSITSLL-ACRUOGEOSA-N 2 2 358.551 4.062 20 0 FIADLP CCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccsc1 ZINC000443101791 1092942044 /nfs/dbraw/zinc/94/20/44/1092942044.db2.gz FHKKOHLHSITSLL-ACRUOGEOSA-N 2 2 358.551 4.062 20 0 FIADLP Cc1cc(C(F)(F)F)cc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)[nH+]1 ZINC000663876315 1092985595 /nfs/dbraw/zinc/98/55/95/1092985595.db2.gz NTVAPTKMSVTZSP-AWEZNQCLSA-N 2 2 364.415 4.326 20 0 FIADLP c1sc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1C1CC1 ZINC000512610963 1092988946 /nfs/dbraw/zinc/98/89/46/1092988946.db2.gz GQTPCBMLUAWHHH-UFYCRDLUSA-N 2 2 367.562 4.411 20 0 FIADLP c1sc(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1C1CC1 ZINC000512610963 1092988951 /nfs/dbraw/zinc/98/89/51/1092988951.db2.gz GQTPCBMLUAWHHH-UFYCRDLUSA-N 2 2 367.562 4.411 20 0 FIADLP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1cccc(Cl)c1 ZINC000522003904 1093031441 /nfs/dbraw/zinc/03/14/41/1093031441.db2.gz JTPIUDJNILBRJS-FQEVSTJZSA-N 2 2 355.869 4.311 20 0 FIADLP COc1cccc(OC)c1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015902 1093052647 /nfs/dbraw/zinc/05/26/47/1093052647.db2.gz TXMKTWKUQAYQTN-OPVJXMOQSA-N 2 2 368.521 4.235 20 0 FIADLP COc1cccc(OC)c1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015902 1093052655 /nfs/dbraw/zinc/05/26/55/1093052655.db2.gz TXMKTWKUQAYQTN-OPVJXMOQSA-N 2 2 368.521 4.235 20 0 FIADLP C[N@H+](CCSCc1c[nH+]cn1Cc1ccccc1)Cc1ccccc1 ZINC000433035481 1093126350 /nfs/dbraw/zinc/12/63/50/1093126350.db2.gz MNFRYSQJGPTDCW-UHFFFAOYSA-N 2 2 351.519 4.297 20 0 FIADLP C[N@@H+](CCSCc1c[nH+]cn1Cc1ccccc1)Cc1ccccc1 ZINC000433035481 1093126356 /nfs/dbraw/zinc/12/63/56/1093126356.db2.gz MNFRYSQJGPTDCW-UHFFFAOYSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@@H]1CC([NH2+]C2CC[NH+](C3CCC3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168020363 1093214307 /nfs/dbraw/zinc/21/43/07/1093214307.db2.gz MRBJFYRHVJPWEJ-RTBURBONSA-N 3 2 355.570 4.035 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+](C)C3CC[NH+](CC)CC3)o2)cc1 ZINC000614231475 1093261790 /nfs/dbraw/zinc/26/17/90/1093261790.db2.gz NLXNQGFADYXITB-UHFFFAOYSA-N 2 2 370.493 4.039 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+](C)C3CC[NH+](CC)CC3)o2)cc1 ZINC000614231475 1093261797 /nfs/dbraw/zinc/26/17/97/1093261797.db2.gz NLXNQGFADYXITB-UHFFFAOYSA-N 2 2 370.493 4.039 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)o2)cc1 ZINC000614235438 1093276952 /nfs/dbraw/zinc/27/69/52/1093276952.db2.gz IVZPKMDRNZOMSV-LPHOPBHVSA-N 2 2 370.493 4.038 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)o2)cc1 ZINC000614235438 1093276958 /nfs/dbraw/zinc/27/69/58/1093276958.db2.gz IVZPKMDRNZOMSV-LPHOPBHVSA-N 2 2 370.493 4.038 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)o2)cc1 ZINC000614235438 1093276968 /nfs/dbraw/zinc/27/69/68/1093276968.db2.gz IVZPKMDRNZOMSV-LPHOPBHVSA-N 2 2 370.493 4.038 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)o2)cc1 ZINC000614235438 1093276978 /nfs/dbraw/zinc/27/69/78/1093276978.db2.gz IVZPKMDRNZOMSV-LPHOPBHVSA-N 2 2 370.493 4.038 20 0 FIADLP CCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(C(=O)OCC)cc3)o2)CC1 ZINC000614243138 1093282110 /nfs/dbraw/zinc/28/21/10/1093282110.db2.gz SQAGQVJANMUYIZ-UHFFFAOYSA-N 2 2 370.493 4.087 20 0 FIADLP C[C@@H]1CC([NH2+][C@H](CO)c2ccc(Cl)cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168023846 1093367382 /nfs/dbraw/zinc/36/73/82/1093367382.db2.gz YIXZBYDNGHRJQH-DRSNIGMVSA-N 2 2 372.940 4.405 20 0 FIADLP c1cn(-c2cccc(C[NH2+]Cc3ccccc3OCc3ccncc3)c2)c[nH+]1 ZINC000522369616 1093421100 /nfs/dbraw/zinc/42/11/00/1093421100.db2.gz LCXUHYUZNAYXJU-UHFFFAOYSA-N 2 2 370.456 4.136 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000191499776 1093422462 /nfs/dbraw/zinc/42/24/62/1093422462.db2.gz ASVLEFSWXPVUDN-UHFFFAOYSA-N 2 2 374.435 4.291 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000191499776 1093422470 /nfs/dbraw/zinc/42/24/70/1093422470.db2.gz ASVLEFSWXPVUDN-UHFFFAOYSA-N 2 2 374.435 4.291 20 0 FIADLP c1sc(COc2ccccc2)nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000052441486 1093547706 /nfs/dbraw/zinc/54/77/06/1093547706.db2.gz FRRWAHJFPUQWTE-UHFFFAOYSA-N 2 2 371.550 4.030 20 0 FIADLP Cc1ccccc1-n1nccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000474279915 1093651397 /nfs/dbraw/zinc/65/13/97/1093651397.db2.gz YWAOMGRDEQFVQP-JOCHJYFZSA-N 2 2 374.532 4.135 20 0 FIADLP Cc1ccccc1-n1nccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000474279915 1093651400 /nfs/dbraw/zinc/65/14/00/1093651400.db2.gz YWAOMGRDEQFVQP-JOCHJYFZSA-N 2 2 374.532 4.135 20 0 FIADLP Cc1ccccc1-n1nccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474279915 1093651403 /nfs/dbraw/zinc/65/14/03/1093651403.db2.gz YWAOMGRDEQFVQP-JOCHJYFZSA-N 2 2 374.532 4.135 20 0 FIADLP Cc1ccccc1-n1nccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474279915 1093651408 /nfs/dbraw/zinc/65/14/08/1093651408.db2.gz YWAOMGRDEQFVQP-JOCHJYFZSA-N 2 2 374.532 4.135 20 0 FIADLP CCc1cccc(Cl)c1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000474365754 1093714662 /nfs/dbraw/zinc/71/46/62/1093714662.db2.gz CFTLHNWUSMDUNX-UHFFFAOYSA-N 2 2 358.913 4.024 20 0 FIADLP CCOc1cccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001168034638 1093760141 /nfs/dbraw/zinc/76/01/41/1093760141.db2.gz QZOMYTSYSQLASW-QZTJIDSGSA-N 2 2 353.510 4.012 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000513350412 1094073498 /nfs/dbraw/zinc/07/34/98/1094073498.db2.gz HSWGNYLHCNHDKB-IRMYBRCSSA-N 3 2 369.597 4.282 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000513350412 1094073506 /nfs/dbraw/zinc/07/35/06/1094073506.db2.gz HSWGNYLHCNHDKB-IRMYBRCSSA-N 3 2 369.597 4.282 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000513350412 1094073513 /nfs/dbraw/zinc/07/35/13/1094073513.db2.gz HSWGNYLHCNHDKB-IRMYBRCSSA-N 3 2 369.597 4.282 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000513350412 1094073520 /nfs/dbraw/zinc/07/35/20/1094073520.db2.gz HSWGNYLHCNHDKB-IRMYBRCSSA-N 3 2 369.597 4.282 20 0 FIADLP c1cc(-c2ncc(C[N@@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)s2)cs1 ZINC000433750480 1094084999 /nfs/dbraw/zinc/08/49/99/1094084999.db2.gz UUPPDAHHYDELQD-OAHLLOKOSA-N 2 2 370.547 4.394 20 0 FIADLP c1cc(-c2ncc(C[N@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)s2)cs1 ZINC000433750480 1094085008 /nfs/dbraw/zinc/08/50/08/1094085008.db2.gz UUPPDAHHYDELQD-OAHLLOKOSA-N 2 2 370.547 4.394 20 0 FIADLP COc1cccc(C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C2CC2)c1 ZINC000513495570 1094164407 /nfs/dbraw/zinc/16/44/07/1094164407.db2.gz RSSSOYLNGBSHGJ-HSZRJFAPSA-N 2 2 361.489 4.051 20 0 FIADLP C[C@H]1CC([NH2+][C@@H](CO)c2ccc(Cl)cc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168037026 1094341165 /nfs/dbraw/zinc/34/11/65/1094341165.db2.gz YIXZBYDNGHRJQH-HOIFWPIMSA-N 2 2 372.940 4.405 20 0 FIADLP c1ccc(COc2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc2)nc1 ZINC000116367078 1094466913 /nfs/dbraw/zinc/46/69/13/1094466913.db2.gz JAZYNEJWRDEVGI-UHFFFAOYSA-N 2 2 365.521 4.111 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCCC(F)(F)[C@@H](F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168042582 1094699368 /nfs/dbraw/zinc/69/93/68/1094699368.db2.gz ZSBJSFOBXGPSEP-NBMJBFSESA-N 2 2 354.460 4.497 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCCC(F)(F)[C@@H](F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168042582 1094699381 /nfs/dbraw/zinc/69/93/81/1094699381.db2.gz ZSBJSFOBXGPSEP-NBMJBFSESA-N 2 2 354.460 4.497 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+]2CCCC(F)(F)[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042582 1094699382 /nfs/dbraw/zinc/69/93/82/1094699382.db2.gz ZSBJSFOBXGPSEP-NBMJBFSESA-N 2 2 354.460 4.497 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+]2CCCC(F)(F)[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042582 1094699383 /nfs/dbraw/zinc/69/93/83/1094699383.db2.gz ZSBJSFOBXGPSEP-NBMJBFSESA-N 2 2 354.460 4.497 20 0 FIADLP Fc1cc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)ccc1-n1cc[nH+]c1 ZINC000501438744 1094713392 /nfs/dbraw/zinc/71/33/92/1094713392.db2.gz VDFPOOKULDVONV-MJGOQNOKSA-N 2 2 350.441 4.222 20 0 FIADLP CC(C)(C)c1cnc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000502324068 1095350949 /nfs/dbraw/zinc/35/09/49/1095350949.db2.gz ADFINNBJOOEWNX-OAHLLOKOSA-N 2 2 358.555 4.353 20 0 FIADLP CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000502324068 1095350964 /nfs/dbraw/zinc/35/09/64/1095350964.db2.gz ADFINNBJOOEWNX-OAHLLOKOSA-N 2 2 358.555 4.353 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C(F)(F)F)s2)CC[N@@H+]1Cc1ccccc1 ZINC000444000549 1095598560 /nfs/dbraw/zinc/59/85/60/1095598560.db2.gz HCSGAJWPBKPYJC-HIFRSBDPSA-N 2 2 369.456 4.305 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C(F)(F)F)s2)CC[N@H+]1Cc1ccccc1 ZINC000444000549 1095598564 /nfs/dbraw/zinc/59/85/64/1095598564.db2.gz HCSGAJWPBKPYJC-HIFRSBDPSA-N 2 2 369.456 4.305 20 0 FIADLP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502780128 1095846209 /nfs/dbraw/zinc/84/62/09/1095846209.db2.gz HJKKMFXJYSAOIQ-FQEVSTJZSA-N 2 2 367.472 4.338 20 0 FIADLP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502780128 1095846224 /nfs/dbraw/zinc/84/62/24/1095846224.db2.gz HJKKMFXJYSAOIQ-FQEVSTJZSA-N 2 2 367.472 4.338 20 0 FIADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000421821582 1095934455 /nfs/dbraw/zinc/93/44/55/1095934455.db2.gz SDQXTZRYHXXJQQ-HNNXBMFYSA-N 2 2 355.869 4.444 20 0 FIADLP COc1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C(C)C)c(F)c1 ZINC000421822180 1095934514 /nfs/dbraw/zinc/93/45/14/1095934514.db2.gz WERXGEOAEUMSIR-OAQYLSRUSA-N 2 2 357.473 4.185 20 0 FIADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503381722 1096381707 /nfs/dbraw/zinc/38/17/07/1096381707.db2.gz FGAOIAVSDQUHBX-INIZCTEOSA-N 2 2 359.901 4.261 20 0 FIADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503381722 1096381714 /nfs/dbraw/zinc/38/17/14/1096381714.db2.gz FGAOIAVSDQUHBX-INIZCTEOSA-N 2 2 359.901 4.261 20 0 FIADLP Clc1ccc(OCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503408230 1096388155 /nfs/dbraw/zinc/38/81/55/1096388155.db2.gz PWFVMDGXHGXGTQ-MRXNPFEDSA-N 2 2 359.901 4.131 20 0 FIADLP Clc1ccc(OCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503408230 1096388163 /nfs/dbraw/zinc/38/81/63/1096388163.db2.gz PWFVMDGXHGXGTQ-MRXNPFEDSA-N 2 2 359.901 4.131 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CCC4(CCCCC4)O3)C2)n2c1CCCC2 ZINC000503409317 1096388667 /nfs/dbraw/zinc/38/86/67/1096388667.db2.gz TZSSZDYJFLVIBI-UYAOXDASSA-N 2 2 357.542 4.281 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@H+](C[C@H]3CCC4(CCCCC4)O3)C2)n2c1CCCC2 ZINC000503409317 1096388675 /nfs/dbraw/zinc/38/86/75/1096388675.db2.gz TZSSZDYJFLVIBI-UYAOXDASSA-N 2 2 357.542 4.281 20 0 FIADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411189 1096389863 /nfs/dbraw/zinc/38/98/63/1096389863.db2.gz ZTZPCXGXHKSZHO-HNNXBMFYSA-N 2 2 359.901 4.261 20 0 FIADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411189 1096389871 /nfs/dbraw/zinc/38/98/71/1096389871.db2.gz ZTZPCXGXHKSZHO-HNNXBMFYSA-N 2 2 359.901 4.261 20 0 FIADLP C[C@H](CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)OCc1ccccc1 ZINC000503413773 1096391075 /nfs/dbraw/zinc/39/10/75/1096391075.db2.gz BOCQYHFZPDQVBC-TZIWHRDSSA-N 2 2 367.537 4.394 20 0 FIADLP C[C@H](CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)OCc1ccccc1 ZINC000503413773 1096391083 /nfs/dbraw/zinc/39/10/83/1096391083.db2.gz BOCQYHFZPDQVBC-TZIWHRDSSA-N 2 2 367.537 4.394 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)n2c1CCCC2 ZINC000503439260 1096402287 /nfs/dbraw/zinc/40/22/87/1096402287.db2.gz QZCPWKZLRLVHRO-HNNXBMFYSA-N 2 2 352.507 4.209 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)n2c1CCCC2 ZINC000503439260 1096402293 /nfs/dbraw/zinc/40/22/93/1096402293.db2.gz QZCPWKZLRLVHRO-HNNXBMFYSA-N 2 2 352.507 4.209 20 0 FIADLP CCCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(OC(F)F)c1 ZINC000422891185 1096515102 /nfs/dbraw/zinc/51/51/02/1096515102.db2.gz UQBDZJVTUREDAG-ROUUACIJSA-N 2 2 362.420 4.311 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000423011282 1096549373 /nfs/dbraw/zinc/54/93/73/1096549373.db2.gz INBKEWAKUFEZBS-TZYHBYERSA-N 2 2 360.505 4.075 20 0 FIADLP Fc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000423041703 1096558206 /nfs/dbraw/zinc/55/82/06/1096558206.db2.gz XSYFFOZBTHOQPQ-GOSISDBHSA-N 2 2 352.375 4.276 20 0 FIADLP CC(C)[N@@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000423043648 1096558477 /nfs/dbraw/zinc/55/84/77/1096558477.db2.gz PKVOJNLYRYQHCA-FNAHDJPLSA-N 2 2 371.475 4.223 20 0 FIADLP CC(C)[N@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000423043648 1096558484 /nfs/dbraw/zinc/55/84/84/1096558484.db2.gz PKVOJNLYRYQHCA-FNAHDJPLSA-N 2 2 371.475 4.223 20 0 FIADLP Fc1ccc(-c2nc3c(s2)CCC[C@@H]3[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423056583 1096559885 /nfs/dbraw/zinc/55/98/85/1096559885.db2.gz YOJJRMNSZLRYHO-WFVVYAPDSA-N 2 2 357.498 4.199 20 0 FIADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423086942 1096570080 /nfs/dbraw/zinc/57/00/80/1096570080.db2.gz OHYBYCFNPVYWEF-IRLDBZIGSA-N 2 2 360.505 4.232 20 0 FIADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1nc(-c2ccccc2)cs1 ZINC000423190850 1096612135 /nfs/dbraw/zinc/61/21/35/1096612135.db2.gz RSEZBHHFIIMZNX-INIZCTEOSA-N 2 2 352.507 4.036 20 0 FIADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1nc(-c2ccccc2)cs1 ZINC000423190851 1096612488 /nfs/dbraw/zinc/61/24/88/1096612488.db2.gz RSEZBHHFIIMZNX-MRXNPFEDSA-N 2 2 352.507 4.036 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436303239 1098915766 /nfs/dbraw/zinc/91/57/66/1098915766.db2.gz WLSYLMQSWGBFDJ-VZVVXEKASA-N 2 2 369.940 4.481 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436303239 1098915770 /nfs/dbraw/zinc/91/57/70/1098915770.db2.gz WLSYLMQSWGBFDJ-VZVVXEKASA-N 2 2 369.940 4.481 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C ZINC000533310488 1098945935 /nfs/dbraw/zinc/94/59/35/1098945935.db2.gz SOWGOAVBZAOUEI-XMSQKQJNSA-N 2 2 365.521 4.244 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C ZINC000533310488 1098945937 /nfs/dbraw/zinc/94/59/37/1098945937.db2.gz SOWGOAVBZAOUEI-XMSQKQJNSA-N 2 2 365.521 4.244 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C ZINC000533310488 1098945938 /nfs/dbraw/zinc/94/59/38/1098945938.db2.gz SOWGOAVBZAOUEI-XMSQKQJNSA-N 2 2 365.521 4.244 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C ZINC000533310488 1098945942 /nfs/dbraw/zinc/94/59/42/1098945942.db2.gz SOWGOAVBZAOUEI-XMSQKQJNSA-N 2 2 365.521 4.244 20 0 FIADLP Cn1cc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c2ccc(Cl)cc21 ZINC000436410327 1099007576 /nfs/dbraw/zinc/00/75/76/1099007576.db2.gz NWCCIBFLHVJLGL-UHFFFAOYSA-N 2 2 370.909 4.411 20 0 FIADLP Fc1cccc(Cl)c1C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCSC1 ZINC000516118144 1099198730 /nfs/dbraw/zinc/19/87/30/1099198730.db2.gz SDZRRDGUADCEKS-OAHLLOKOSA-N 2 2 367.921 4.321 20 0 FIADLP Fc1cccc(Cl)c1C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCSC1 ZINC000516118144 1099198732 /nfs/dbraw/zinc/19/87/32/1099198732.db2.gz SDZRRDGUADCEKS-OAHLLOKOSA-N 2 2 367.921 4.321 20 0 FIADLP Cc1cc(C)c(NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000455466461 1099237310 /nfs/dbraw/zinc/23/73/10/1099237310.db2.gz ADNLJSLTACWGBT-FQEVSTJZSA-N 2 2 366.509 4.039 20 0 FIADLP Cc1cc(C)c(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000455466461 1099237320 /nfs/dbraw/zinc/23/73/20/1099237320.db2.gz ADNLJSLTACWGBT-FQEVSTJZSA-N 2 2 366.509 4.039 20 0 FIADLP Cc1cc(C)c(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c(C)[nH+]1 ZINC000455465550 1099237840 /nfs/dbraw/zinc/23/78/40/1099237840.db2.gz DWHZOBVOHLFJJT-UHFFFAOYSA-N 2 2 366.509 4.135 20 0 FIADLP CC[NH+](CC)[C@H](CNC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC000455470180 1099241565 /nfs/dbraw/zinc/24/15/65/1099241565.db2.gz ICWWFPRBRNPHLV-LJQANCHMSA-N 2 2 354.498 4.211 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c(C)[nH+]1 ZINC000455474761 1099244716 /nfs/dbraw/zinc/24/47/16/1099244716.db2.gz DAPCNDTZGMRRBS-SFHVURJKSA-N 2 2 366.509 4.135 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c(C)[nH+]1 ZINC000455474761 1099244732 /nfs/dbraw/zinc/24/47/32/1099244732.db2.gz DAPCNDTZGMRRBS-SFHVURJKSA-N 2 2 366.509 4.135 20 0 FIADLP CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455494627 1099258004 /nfs/dbraw/zinc/25/80/04/1099258004.db2.gz NJYYWWQGGJCXDZ-FQEVSTJZSA-N 2 2 366.509 4.135 20 0 FIADLP CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455494627 1099258015 /nfs/dbraw/zinc/25/80/15/1099258015.db2.gz NJYYWWQGGJCXDZ-FQEVSTJZSA-N 2 2 366.509 4.135 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000455528621 1099304602 /nfs/dbraw/zinc/30/46/02/1099304602.db2.gz QUACJMKJJXRSNK-KRWDZBQOSA-N 2 2 360.889 4.085 20 0 FIADLP Cc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(OC(F)F)cc1C ZINC000508689714 1099823978 /nfs/dbraw/zinc/82/39/78/1099823978.db2.gz HZRPXXZAWSONSC-INIZCTEOSA-N 2 2 363.452 4.093 20 0 FIADLP Cc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(OC(F)F)cc1C ZINC000508689714 1099823990 /nfs/dbraw/zinc/82/39/90/1099823990.db2.gz HZRPXXZAWSONSC-INIZCTEOSA-N 2 2 363.452 4.093 20 0 FIADLP C[C@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508694148 1099827397 /nfs/dbraw/zinc/82/73/97/1099827397.db2.gz FDJLWAJBIRITMJ-PKOBYXMFSA-N 2 2 364.468 4.334 20 0 FIADLP C[C@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508694148 1099827408 /nfs/dbraw/zinc/82/74/08/1099827408.db2.gz FDJLWAJBIRITMJ-PKOBYXMFSA-N 2 2 364.468 4.334 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000162643766 1099932977 /nfs/dbraw/zinc/93/29/77/1099932977.db2.gz OYTCOIOHHZCALS-KRWDZBQOSA-N 2 2 362.477 4.440 20 0 FIADLP Cc1cc(Cl)cc(C)c1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000533799048 1099949867 /nfs/dbraw/zinc/94/98/67/1099949867.db2.gz MRAJTJXAHPVDCS-UHFFFAOYSA-N 2 2 372.944 4.494 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C[C@H]1C ZINC000536659653 1100129769 /nfs/dbraw/zinc/12/97/69/1100129769.db2.gz FVMLAEGVFNHJFH-QRWLVFNGSA-N 2 2 374.960 4.447 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C[C@H]1C ZINC000536659653 1100129773 /nfs/dbraw/zinc/12/97/73/1100129773.db2.gz FVMLAEGVFNHJFH-QRWLVFNGSA-N 2 2 374.960 4.447 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C[C@H]1C ZINC000536659653 1100129776 /nfs/dbraw/zinc/12/97/76/1100129776.db2.gz FVMLAEGVFNHJFH-QRWLVFNGSA-N 2 2 374.960 4.447 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C[C@H]1C ZINC000536659653 1100129784 /nfs/dbraw/zinc/12/97/84/1100129784.db2.gz FVMLAEGVFNHJFH-QRWLVFNGSA-N 2 2 374.960 4.447 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[N@@H+]1C ZINC000536681691 1100149333 /nfs/dbraw/zinc/14/93/33/1100149333.db2.gz REDGPXMSHHQSRD-RXVVDRJESA-N 2 2 368.569 4.143 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[N@H+]1C ZINC000536681691 1100149343 /nfs/dbraw/zinc/14/93/43/1100149343.db2.gz REDGPXMSHHQSRD-RXVVDRJESA-N 2 2 368.569 4.143 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[NH+]1C ZINC000536681691 1100149357 /nfs/dbraw/zinc/14/93/57/1100149357.db2.gz REDGPXMSHHQSRD-RXVVDRJESA-N 2 2 368.569 4.143 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[NH+]1C ZINC000536681691 1100149364 /nfs/dbraw/zinc/14/93/64/1100149364.db2.gz REDGPXMSHHQSRD-RXVVDRJESA-N 2 2 368.569 4.143 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[N@@H+]1C ZINC000536681692 1100149749 /nfs/dbraw/zinc/14/97/49/1100149749.db2.gz REDGPXMSHHQSRD-WIYYLYMNSA-N 2 2 368.569 4.143 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[N@H+]1C ZINC000536681692 1100149762 /nfs/dbraw/zinc/14/97/62/1100149762.db2.gz REDGPXMSHHQSRD-WIYYLYMNSA-N 2 2 368.569 4.143 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[NH+]1C ZINC000536681692 1100149776 /nfs/dbraw/zinc/14/97/76/1100149776.db2.gz REDGPXMSHHQSRD-WIYYLYMNSA-N 2 2 368.569 4.143 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[NH+]1C ZINC000536681692 1100149791 /nfs/dbraw/zinc/14/97/91/1100149791.db2.gz REDGPXMSHHQSRD-WIYYLYMNSA-N 2 2 368.569 4.143 20 0 FIADLP C[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1nc2ccccc2n1C ZINC000379622605 1100223254 /nfs/dbraw/zinc/22/32/54/1100223254.db2.gz GXWSMLNUHCTNIK-ROUUACIJSA-N 2 2 350.510 4.135 20 0 FIADLP C[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1nc2ccccc2n1C ZINC000379622605 1100223264 /nfs/dbraw/zinc/22/32/64/1100223264.db2.gz GXWSMLNUHCTNIK-ROUUACIJSA-N 2 2 350.510 4.135 20 0 FIADLP CCn1nc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)c2ccccc21 ZINC000379637980 1100236324 /nfs/dbraw/zinc/23/63/24/1100236324.db2.gz UAKMNWDIKOQUEM-SFHVURJKSA-N 2 2 350.510 4.056 20 0 FIADLP CCn1nc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c2ccccc21 ZINC000379637980 1100236331 /nfs/dbraw/zinc/23/63/31/1100236331.db2.gz UAKMNWDIKOQUEM-SFHVURJKSA-N 2 2 350.510 4.056 20 0 FIADLP C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000459499984 1100237610 /nfs/dbraw/zinc/23/76/10/1100237610.db2.gz MSOSDIPBCKGCET-HXRGIAOBSA-N 2 2 359.473 4.080 20 0 FIADLP CC[N@H+](CCC1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1)CC1CC1 ZINC000536737934 1100265302 /nfs/dbraw/zinc/26/53/02/1100265302.db2.gz ZYQNSINSSBIPHV-UHFFFAOYSA-N 2 2 368.525 4.071 20 0 FIADLP CC[N@@H+](CCC1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1)CC1CC1 ZINC000536737934 1100265315 /nfs/dbraw/zinc/26/53/15/1100265315.db2.gz ZYQNSINSSBIPHV-UHFFFAOYSA-N 2 2 368.525 4.071 20 0 FIADLP COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000536846223 1100359272 /nfs/dbraw/zinc/35/92/72/1100359272.db2.gz RFQFWTZHIXGWFF-DRSNIGMVSA-N 2 2 365.477 4.308 20 0 FIADLP Cc1noc(C2CCC([NH2+]C[C@]3(C)CCC[N@@H+]3Cc3ccccc3)CC2)n1 ZINC000518045341 1100885139 /nfs/dbraw/zinc/88/51/39/1100885139.db2.gz ADQPMUPEZSPBEX-AOMIVXANSA-N 2 2 368.525 4.049 20 0 FIADLP Cc1noc(C2CCC([NH2+]C[C@]3(C)CCC[N@H+]3Cc3ccccc3)CC2)n1 ZINC000518045341 1100885148 /nfs/dbraw/zinc/88/51/48/1100885148.db2.gz ADQPMUPEZSPBEX-AOMIVXANSA-N 2 2 368.525 4.049 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000506387589 1100957960 /nfs/dbraw/zinc/95/79/60/1100957960.db2.gz RXPWNYJEEIUBLK-UHFFFAOYSA-N 2 2 358.917 4.180 20 0 FIADLP Clc1cccc(CC2(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000459684091 1101321316 /nfs/dbraw/zinc/32/13/16/1101321316.db2.gz DJOYNICKAPRXBN-UHFFFAOYSA-N 2 2 355.913 4.316 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000537014183 1101396678 /nfs/dbraw/zinc/39/66/78/1101396678.db2.gz FQVWTRHRCKPLDB-AOMKIAJQSA-N 2 2 353.485 4.487 20 0 FIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760156821 1101457665 /nfs/dbraw/zinc/45/76/65/1101457665.db2.gz OBGFDYQLDZLODQ-LBPRGKRZSA-N 2 2 365.308 4.290 20 0 FIADLP C[C@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]([NH3+])c1ccccc1 ZINC000178719039 1101531650 /nfs/dbraw/zinc/53/16/50/1101531650.db2.gz ZNWRPSIYXLWGQH-KKSFZXQISA-N 2 2 374.488 4.161 20 0 FIADLP CC(C)[NH+](CCC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)C(C)C ZINC000537189937 1101542185 /nfs/dbraw/zinc/54/21/85/1101542185.db2.gz LOKDJLFPGMCKGT-NRFANRHFSA-N 3 2 373.585 4.073 20 0 FIADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000537249738 1101586829 /nfs/dbraw/zinc/58/68/29/1101586829.db2.gz RPPSMXVTLUAXBN-OAHLLOKOSA-N 2 2 366.328 4.205 20 0 FIADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000537249738 1101586839 /nfs/dbraw/zinc/58/68/39/1101586839.db2.gz RPPSMXVTLUAXBN-OAHLLOKOSA-N 2 2 366.328 4.205 20 0 FIADLP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(-n4cc[nH+]c4C)nc3)oc21 ZINC000181541371 1101593898 /nfs/dbraw/zinc/59/38/98/1101593898.db2.gz BFLILDAVDYMWNU-CQSZACIVSA-N 2 2 362.433 4.181 20 0 FIADLP CC[NH+]1CCC([N@H+](C)Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000506676893 1101767135 /nfs/dbraw/zinc/76/71/35/1101767135.db2.gz XIQJTSAUXBLIGV-UHFFFAOYSA-N 2 2 368.569 4.145 20 0 FIADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000506676893 1101767142 /nfs/dbraw/zinc/76/71/42/1101767142.db2.gz XIQJTSAUXBLIGV-UHFFFAOYSA-N 2 2 368.569 4.145 20 0 FIADLP CC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc(C)ccc1OC ZINC000537456306 1101813433 /nfs/dbraw/zinc/81/34/33/1101813433.db2.gz VHLNILCUSQQOJJ-ICSRJNTNSA-N 2 2 368.525 4.102 20 0 FIADLP COc1ccccc1C1([NH3+])CC[NH+]([C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168169900 1101877299 /nfs/dbraw/zinc/87/72/99/1101877299.db2.gz XWFJUVGFTHIBPG-MRXNPFEDSA-N 2 2 358.913 4.230 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1 ZINC000648462560 1102013296 /nfs/dbraw/zinc/01/32/96/1102013296.db2.gz JUHQJYVZEMRZSF-SJORKVTESA-N 2 2 371.406 4.398 20 0 FIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1sccc1Br ZINC000037273210 1102188959 /nfs/dbraw/zinc/18/89/59/1102188959.db2.gz FLJFSBIXFOOCGQ-GFCCVEGCSA-N 2 2 366.328 4.225 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(OC)cc1 ZINC000090667238 1102306236 /nfs/dbraw/zinc/30/62/36/1102306236.db2.gz KVSZWBIZYJWANH-VGOFRKELSA-N 2 2 353.510 4.357 20 0 FIADLP c1cn(-c2ccccc2-c2noc([C@@H]3CCC[NH2+][C@@H]3c3ccccc3)n2)c[nH+]1 ZINC001211849389 1102312508 /nfs/dbraw/zinc/31/25/08/1102312508.db2.gz SESFXDSBMXMHEC-UYAOXDASSA-N 2 2 371.444 4.131 20 0 FIADLP c1cn(C2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)c[nH+]1 ZINC000111244441 1102492003 /nfs/dbraw/zinc/49/20/03/1102492003.db2.gz BCAVZYXYLXVIEE-UHFFFAOYSA-N 2 2 361.489 4.326 20 0 FIADLP Clc1ccc(C2CCC([N@@H+]3CCO[C@@H](C[NH+]4CCCC4)C3)CC2)cc1 ZINC001168348089 1102496202 /nfs/dbraw/zinc/49/62/02/1102496202.db2.gz UQCQCDKHUJURDY-MNLRITNHSA-N 2 2 362.945 4.163 20 0 FIADLP Clc1ccc(C2CCC([N@H+]3CCO[C@@H](C[NH+]4CCCC4)C3)CC2)cc1 ZINC001168348089 1102496212 /nfs/dbraw/zinc/49/62/12/1102496212.db2.gz UQCQCDKHUJURDY-MNLRITNHSA-N 2 2 362.945 4.163 20 0 FIADLP COc1ccc2c(c1)C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1)C2 ZINC001168243318 1102591848 /nfs/dbraw/zinc/59/18/48/1102591848.db2.gz IEAUMAYTARRKSK-YFNKSVMNSA-N 2 2 358.485 4.193 20 0 FIADLP Cn1c[nH+]cc1CC[N@H+](C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000459331714 1102825182 /nfs/dbraw/zinc/82/51/82/1102825182.db2.gz WEJHHJNAKSEBOR-UHFFFAOYSA-N 2 2 370.472 4.102 20 0 FIADLP Cn1c[nH+]cc1CC[N@@H+](C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000459331714 1102825201 /nfs/dbraw/zinc/82/52/01/1102825201.db2.gz WEJHHJNAKSEBOR-UHFFFAOYSA-N 2 2 370.472 4.102 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C[C@@H]1c1ccccc1 ZINC000551169978 1102946662 /nfs/dbraw/zinc/94/66/62/1102946662.db2.gz NXFZFSXXMGQOOF-WOJBJXKFSA-N 2 2 356.897 4.200 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C[C@@H]1c1ccccc1 ZINC000551169978 1102946667 /nfs/dbraw/zinc/94/66/67/1102946667.db2.gz NXFZFSXXMGQOOF-WOJBJXKFSA-N 2 2 356.897 4.200 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000537696223 1102952312 /nfs/dbraw/zinc/95/23/12/1102952312.db2.gz FELYXBIDLRHNEX-LAUBAEHRSA-N 2 2 372.944 4.059 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000537696223 1102952317 /nfs/dbraw/zinc/95/23/17/1102952317.db2.gz FELYXBIDLRHNEX-LAUBAEHRSA-N 2 2 372.944 4.059 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000537696223 1102952324 /nfs/dbraw/zinc/95/23/24/1102952324.db2.gz FELYXBIDLRHNEX-LAUBAEHRSA-N 2 2 372.944 4.059 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000537696223 1102952328 /nfs/dbraw/zinc/95/23/28/1102952328.db2.gz FELYXBIDLRHNEX-LAUBAEHRSA-N 2 2 372.944 4.059 20 0 FIADLP CC[NH+](CC)[C@H](c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1)c1ccccc1 ZINC000514692393 1103247017 /nfs/dbraw/zinc/24/70/17/1103247017.db2.gz XZXACASXMVRMPS-FQEVSTJZSA-N 2 2 373.460 4.354 20 0 FIADLP CCc1ccc([C@H](COC)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000507461629 1103406733 /nfs/dbraw/zinc/40/67/33/1103406733.db2.gz MOTXNMVLJMNVHF-PDGJWGCVSA-N 2 2 368.521 4.030 20 0 FIADLP CCc1ccc([C@H](COC)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000507461629 1103406737 /nfs/dbraw/zinc/40/67/37/1103406737.db2.gz MOTXNMVLJMNVHF-PDGJWGCVSA-N 2 2 368.521 4.030 20 0 FIADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000441404464 1104344650 /nfs/dbraw/zinc/34/46/50/1104344650.db2.gz NRVOTVCSZARRPC-SIKLNZKXSA-N 2 2 354.538 4.263 20 0 FIADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000441404464 1104344662 /nfs/dbraw/zinc/34/46/62/1104344662.db2.gz NRVOTVCSZARRPC-SIKLNZKXSA-N 2 2 354.538 4.263 20 0 FIADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000441404464 1104344675 /nfs/dbraw/zinc/34/46/75/1104344675.db2.gz NRVOTVCSZARRPC-SIKLNZKXSA-N 2 2 354.538 4.263 20 0 FIADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000441404464 1104344687 /nfs/dbraw/zinc/34/46/87/1104344687.db2.gz NRVOTVCSZARRPC-SIKLNZKXSA-N 2 2 354.538 4.263 20 0 FIADLP c1ccc(C[NH+](Cc2cccnc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167994193 1104490850 /nfs/dbraw/zinc/49/08/50/1104490850.db2.gz YSIFTCOACPXOET-VSGJHWFKSA-N 2 2 361.533 4.489 20 0 FIADLP c1ccc(C[NH+](Cc2cccnc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167994193 1104490856 /nfs/dbraw/zinc/49/08/56/1104490856.db2.gz YSIFTCOACPXOET-VSGJHWFKSA-N 2 2 361.533 4.489 20 0 FIADLP c1ccc(C[N@H+](Cc2cccnc2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167994193 1104490864 /nfs/dbraw/zinc/49/08/64/1104490864.db2.gz YSIFTCOACPXOET-VSGJHWFKSA-N 2 2 361.533 4.489 20 0 FIADLP c1ccc(C[N@@H+](Cc2cccnc2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167994193 1104490868 /nfs/dbraw/zinc/49/08/68/1104490868.db2.gz YSIFTCOACPXOET-VSGJHWFKSA-N 2 2 361.533 4.489 20 0 FIADLP COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1C ZINC000507754912 1104792495 /nfs/dbraw/zinc/79/24/95/1104792495.db2.gz LBPZHBJESFNXNI-BZSNNMDCSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1C ZINC000507754912 1104792498 /nfs/dbraw/zinc/79/24/98/1104792498.db2.gz LBPZHBJESFNXNI-BZSNNMDCSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1oc([C@H](C)[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1C ZINC000507754912 1104792500 /nfs/dbraw/zinc/79/25/00/1104792500.db2.gz LBPZHBJESFNXNI-BZSNNMDCSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1oc([C@H](C)[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1C ZINC000507754912 1104792505 /nfs/dbraw/zinc/79/25/05/1104792505.db2.gz LBPZHBJESFNXNI-BZSNNMDCSA-N 2 2 362.514 4.022 20 0 FIADLP COc1ccc(OC)c(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001168005045 1105063527 /nfs/dbraw/zinc/06/35/27/1105063527.db2.gz FEVKKSJKBWYGBI-QZTJIDSGSA-N 2 2 368.521 4.235 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc3ccccc3n2C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008212 1105174869 /nfs/dbraw/zinc/17/48/69/1105174869.db2.gz DELMVLJMLCKWHN-OPVJXMOQSA-N 2 2 362.521 4.105 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc3ccccc3n2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008212 1105174875 /nfs/dbraw/zinc/17/48/75/1105174875.db2.gz DELMVLJMLCKWHN-OPVJXMOQSA-N 2 2 362.521 4.105 20 0 FIADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427852738 1105296232 /nfs/dbraw/zinc/29/62/32/1105296232.db2.gz MVKIIBBONKYAFP-MJGOQNOKSA-N 2 2 353.510 4.307 20 0 FIADLP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427857204 1105296730 /nfs/dbraw/zinc/29/67/30/1105296730.db2.gz PUAVWWVRVOQQDG-OCCSQVGLSA-N 2 2 356.470 4.120 20 0 FIADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc2ccccc2c1OC(F)F ZINC000427869519 1105304490 /nfs/dbraw/zinc/30/44/90/1105304490.db2.gz SOTXXTKLPLGRKD-UKRRQHHQSA-N 2 2 357.404 4.303 20 0 FIADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2Cl)cc1 ZINC000427882711 1105309264 /nfs/dbraw/zinc/30/92/64/1105309264.db2.gz AMAYWIWNGSAAQK-OXQOHEQNSA-N 2 2 355.844 4.370 20 0 FIADLP C[NH+](C)[C@@H](CNc1cc[nH+]c2c(Br)cccc12)c1ccco1 ZINC000301166539 1106951805 /nfs/dbraw/zinc/95/18/05/1106951805.db2.gz HWVQKQWEINARGJ-HNNXBMFYSA-N 2 2 360.255 4.305 20 0 FIADLP Brc1cccc2c(N3CCC[C@H]([NH+]4CCCC4)CC3)cc[nH+]c12 ZINC000301390781 1107015024 /nfs/dbraw/zinc/01/50/24/1107015024.db2.gz ZHUUFHMQLIRPFY-HNNXBMFYSA-N 2 2 374.326 4.452 20 0 FIADLP CCc1nc(C[NH+]2CCC(CNc3cc[nH+]cc3Cl)CC2)cs1 ZINC000301495657 1107048356 /nfs/dbraw/zinc/04/83/56/1107048356.db2.gz BMXLHSPYGIGRDG-UHFFFAOYSA-N 2 2 350.919 4.078 20 0 FIADLP CCCc1nc(C)c(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000428348669 1107398166 /nfs/dbraw/zinc/39/81/66/1107398166.db2.gz PTAFYSHDHHXRJH-IRXDYDNUSA-N 2 2 355.526 4.182 20 0 FIADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000302688220 1107407826 /nfs/dbraw/zinc/40/78/26/1107407826.db2.gz YUMMLJOCVLKFJE-VQIMIIECSA-N 2 2 351.494 4.005 20 0 FIADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000302688220 1107407829 /nfs/dbraw/zinc/40/78/29/1107407829.db2.gz YUMMLJOCVLKFJE-VQIMIIECSA-N 2 2 351.494 4.005 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475568670 1107763307 /nfs/dbraw/zinc/76/33/07/1107763307.db2.gz OOFSKVAJIUTYEW-UHFFFAOYSA-N 2 2 372.944 4.249 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[N@@H+]1C ZINC000531378938 1107798237 /nfs/dbraw/zinc/79/82/37/1107798237.db2.gz WBAUKFNXRJZZPK-CVDCTZTESA-N 2 2 374.532 4.454 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[N@H+]1C ZINC000531378938 1107798255 /nfs/dbraw/zinc/79/82/55/1107798255.db2.gz WBAUKFNXRJZZPK-CVDCTZTESA-N 2 2 374.532 4.454 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[NH+]1C ZINC000531378938 1107798273 /nfs/dbraw/zinc/79/82/73/1107798273.db2.gz WBAUKFNXRJZZPK-CVDCTZTESA-N 2 2 374.532 4.454 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[NH+]1C ZINC000531378938 1107798288 /nfs/dbraw/zinc/79/82/88/1107798288.db2.gz WBAUKFNXRJZZPK-CVDCTZTESA-N 2 2 374.532 4.454 20 0 FIADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000531735736 1108105934 /nfs/dbraw/zinc/10/59/34/1108105934.db2.gz WQGYSGNTMVLRAX-RULNRJAQSA-N 2 2 367.267 4.413 20 0 FIADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000531735736 1108105943 /nfs/dbraw/zinc/10/59/43/1108105943.db2.gz WQGYSGNTMVLRAX-RULNRJAQSA-N 2 2 367.267 4.413 20 0 FIADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000531758845 1108127029 /nfs/dbraw/zinc/12/70/29/1108127029.db2.gz RZNJRNAIJPWVQY-WOJBJXKFSA-N 2 2 374.912 4.067 20 0 FIADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000453210220 1108279788 /nfs/dbraw/zinc/27/97/88/1108279788.db2.gz MHNPTZJGSPPNBB-MOPGFXCFSA-N 2 2 369.509 4.025 20 0 FIADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000453210220 1108279797 /nfs/dbraw/zinc/27/97/97/1108279797.db2.gz MHNPTZJGSPPNBB-MOPGFXCFSA-N 2 2 369.509 4.025 20 0 FIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000453210222 1108280090 /nfs/dbraw/zinc/28/00/90/1108280090.db2.gz MHNPTZJGSPPNBB-RBUKOAKNSA-N 2 2 369.509 4.025 20 0 FIADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000453210222 1108280094 /nfs/dbraw/zinc/28/00/94/1108280094.db2.gz MHNPTZJGSPPNBB-RBUKOAKNSA-N 2 2 369.509 4.025 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C3CCc4ccccc4CC3)C2)CC1 ZINC000453211878 1108282327 /nfs/dbraw/zinc/28/23/27/1108282327.db2.gz HIWRNSVXVZCJHU-UHFFFAOYSA-N 2 2 366.471 4.329 20 0 FIADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CC([NH+]4CCCCC4)C3)[C@H]3CCC[C@H]32)cc1 ZINC000453220879 1108292196 /nfs/dbraw/zinc/29/21/96/1108292196.db2.gz PKMMWUFFTDZDES-LBAGWKCMSA-N 3 2 367.581 4.036 20 0 FIADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC([NH+]4CCCCC4)C3)[C@H]3CCC[C@H]32)cc1 ZINC000453220879 1108292208 /nfs/dbraw/zinc/29/22/08/1108292208.db2.gz PKMMWUFFTDZDES-LBAGWKCMSA-N 3 2 367.581 4.036 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000453250744 1108324996 /nfs/dbraw/zinc/32/49/96/1108324996.db2.gz YXNSIOYEABEDOD-RTOPAQNCSA-N 2 2 371.475 4.237 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000453250744 1108325008 /nfs/dbraw/zinc/32/50/08/1108325008.db2.gz YXNSIOYEABEDOD-RTOPAQNCSA-N 2 2 371.475 4.237 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453253435 1108326665 /nfs/dbraw/zinc/32/66/65/1108326665.db2.gz IERMHWUNLHHKNL-KSFYIVLOSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453253435 1108326682 /nfs/dbraw/zinc/32/66/82/1108326682.db2.gz IERMHWUNLHHKNL-KSFYIVLOSA-N 2 2 353.485 4.098 20 0 FIADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2Br)CC1 ZINC000531944153 1108387456 /nfs/dbraw/zinc/38/74/56/1108387456.db2.gz XLRDYBDKIGFIPX-ZDUSSCGKSA-N 2 2 357.311 4.359 20 0 FIADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)o1 ZINC000453326748 1108418249 /nfs/dbraw/zinc/41/82/49/1108418249.db2.gz NVRWECICBOWELL-INIZCTEOSA-N 2 2 369.509 4.116 20 0 FIADLP CC(C)C[C@H](C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[NH+](C)C ZINC000531946403 1108423541 /nfs/dbraw/zinc/42/35/41/1108423541.db2.gz LJQGKKNRNLJVPL-QGZVFWFLSA-N 2 2 369.956 4.009 20 0 FIADLP c1ccc([C@H](CC2CC2)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000531956129 1108444836 /nfs/dbraw/zinc/44/48/36/1108444836.db2.gz ZLNXWYIYHJGIBH-QHCPKHFHSA-N 2 2 350.506 4.150 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1cccc(-n2cc[nH+]c2)c1 ZINC000531984259 1108467241 /nfs/dbraw/zinc/46/72/41/1108467241.db2.gz VANGVBBOMIIFGF-CVEARBPZSA-N 2 2 360.461 4.169 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ncc(C(F)(F)F)cc1Cl ZINC000925167457 1108659142 /nfs/dbraw/zinc/65/91/42/1108659142.db2.gz CJTYKZQGNRFRQH-GHMZBOCLSA-N 2 2 358.795 4.179 20 0 FIADLP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000532194625 1108702767 /nfs/dbraw/zinc/70/27/67/1108702767.db2.gz BDEDHXCLEBQANR-UONOGXRCSA-N 2 2 356.297 4.416 20 0 FIADLP CC(C)[NH+](CCNC1CC[NH+](Cc2c(F)cccc2Cl)CC1)C(C)C ZINC000532203856 1108709901 /nfs/dbraw/zinc/70/99/01/1108709901.db2.gz UAYWVNMCZPLQQX-UHFFFAOYSA-N 2 2 369.956 4.152 20 0 FIADLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000524457910 1109020441 /nfs/dbraw/zinc/02/04/41/1109020441.db2.gz MUZSZYVTOGFYNQ-JOCHJYFZSA-N 2 2 360.505 4.139 20 0 FIADLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000524457910 1109020446 /nfs/dbraw/zinc/02/04/46/1109020446.db2.gz MUZSZYVTOGFYNQ-JOCHJYFZSA-N 2 2 360.505 4.139 20 0 FIADLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000524457911 1109020861 /nfs/dbraw/zinc/02/08/61/1109020861.db2.gz MUZSZYVTOGFYNQ-QFIPXVFZSA-N 2 2 360.505 4.139 20 0 FIADLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000524457911 1109020867 /nfs/dbraw/zinc/02/08/67/1109020867.db2.gz MUZSZYVTOGFYNQ-QFIPXVFZSA-N 2 2 360.505 4.139 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000447098999 1109442908 /nfs/dbraw/zinc/44/29/08/1109442908.db2.gz PWHCQLUCNDLYPQ-UHFFFAOYSA-N 2 2 368.525 4.215 20 0 FIADLP CC[N@@H+](Cc1ccc(C)c(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000447725032 1109634907 /nfs/dbraw/zinc/63/49/07/1109634907.db2.gz ABLUIGBZXGYHTL-UHFFFAOYSA-N 2 2 353.510 4.137 20 0 FIADLP CC[N@H+](Cc1ccc(C)c(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000447725032 1109634911 /nfs/dbraw/zinc/63/49/11/1109634911.db2.gz ABLUIGBZXGYHTL-UHFFFAOYSA-N 2 2 353.510 4.137 20 0 FIADLP CCC(F)(F)C(C)(C)CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000527673506 1109800907 /nfs/dbraw/zinc/80/09/07/1109800907.db2.gz DJYFPGCDAIEQRM-UHFFFAOYSA-N 2 2 354.489 4.095 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527681960 1109810125 /nfs/dbraw/zinc/81/01/25/1109810125.db2.gz LJPALCZRLLXPKO-CYBMUJFWSA-N 2 2 369.456 4.477 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000527744057 1109820172 /nfs/dbraw/zinc/82/01/72/1109820172.db2.gz KBILDHIEBOWNCM-UHFFFAOYSA-N 2 2 363.490 4.210 20 0 FIADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528011459 1109885380 /nfs/dbraw/zinc/88/53/80/1109885380.db2.gz LJDLWKYTZCRYBT-LAUBAEHRSA-N 2 2 372.557 4.228 20 0 FIADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528011459 1109885383 /nfs/dbraw/zinc/88/53/83/1109885383.db2.gz LJDLWKYTZCRYBT-LAUBAEHRSA-N 2 2 372.557 4.228 20 0 FIADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CC2 ZINC000449070909 1109972495 /nfs/dbraw/zinc/97/24/95/1109972495.db2.gz FVAUOXFPUXBFNK-KRWDZBQOSA-N 2 2 371.406 4.168 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnn2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000449180301 1109992993 /nfs/dbraw/zinc/99/29/93/1109992993.db2.gz ZOZFEDQLOTWIPA-UYAOXDASSA-N 2 2 352.526 4.141 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnn2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000449180301 1109992996 /nfs/dbraw/zinc/99/29/96/1109992996.db2.gz ZOZFEDQLOTWIPA-UYAOXDASSA-N 2 2 352.526 4.141 20 0 FIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccnn2C2CCCC2)c(C)c1 ZINC000449213874 1109997303 /nfs/dbraw/zinc/99/73/03/1109997303.db2.gz XOBZFYQVBZFTKR-JOCHJYFZSA-N 2 2 363.509 4.343 20 0 FIADLP C[C@@H](C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1cc(F)cc(F)c1 ZINC000449265215 1110018867 /nfs/dbraw/zinc/01/88/67/1110018867.db2.gz RBHLVBWUPQITKK-WJPUGNRLSA-N 2 2 359.464 4.088 20 0 FIADLP C[C@@H](C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1cc(F)cc(F)c1 ZINC000449265215 1110018873 /nfs/dbraw/zinc/01/88/73/1110018873.db2.gz RBHLVBWUPQITKK-WJPUGNRLSA-N 2 2 359.464 4.088 20 0 FIADLP C[C@@H](C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1cc(F)cc(F)c1 ZINC000449265215 1110018878 /nfs/dbraw/zinc/01/88/78/1110018878.db2.gz RBHLVBWUPQITKK-WJPUGNRLSA-N 2 2 359.464 4.088 20 0 FIADLP C[C@@H](C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1cc(F)cc(F)c1 ZINC000449265215 1110018884 /nfs/dbraw/zinc/01/88/84/1110018884.db2.gz RBHLVBWUPQITKK-WJPUGNRLSA-N 2 2 359.464 4.088 20 0 FIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000449348105 1110037069 /nfs/dbraw/zinc/03/70/69/1110037069.db2.gz BFHGZMNFUCNUQN-IXDOHACOSA-N 2 2 359.901 4.211 20 0 FIADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)n3)CC2)C1 ZINC000449400691 1110057514 /nfs/dbraw/zinc/05/75/14/1110057514.db2.gz JVSOPCSIRFPSBU-RHSMWYFYSA-N 2 2 355.448 4.233 20 0 FIADLP COC[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Cl)cc1 ZINC000449476507 1110084639 /nfs/dbraw/zinc/08/46/39/1110084639.db2.gz GNDHASOVYSMBTK-OAHLLOKOSA-N 2 2 361.898 4.107 20 0 FIADLP Cc1ccc2c(NCCSCc3csc(C[NH+](C)C)n3)cc[nH+]c2c1 ZINC001168110651 1110109425 /nfs/dbraw/zinc/10/94/25/1110109425.db2.gz DJQOSUUKGPFRSJ-UHFFFAOYSA-N 2 2 372.563 4.407 20 0 FIADLP Fc1cc2[nH+]ccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2cc1Br ZINC000450254791 1110269672 /nfs/dbraw/zinc/26/96/72/1110269672.db2.gz WEYNSSGAHRCRTP-NEPJUHHUSA-N 2 2 364.262 4.175 20 0 FIADLP Fc1cc2[nH+]ccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2cc1Br ZINC000450254791 1110269673 /nfs/dbraw/zinc/26/96/73/1110269673.db2.gz WEYNSSGAHRCRTP-NEPJUHHUSA-N 2 2 364.262 4.175 20 0 FIADLP CC[N@H+](Cc1ccc(C)cn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538730308 1111267035 /nfs/dbraw/zinc/26/70/35/1111267035.db2.gz YQSBPOOBZNMTEG-UHFFFAOYSA-N 2 2 367.541 4.103 20 0 FIADLP CC[N@@H+](Cc1ccc(C)cn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538730308 1111267041 /nfs/dbraw/zinc/26/70/41/1111267041.db2.gz YQSBPOOBZNMTEG-UHFFFAOYSA-N 2 2 367.541 4.103 20 0 FIADLP Brc1ccc2c(c1)[C@@H]([NH+]1CCC(c3[nH]cc[nH+]3)CC1)CCC2 ZINC000538782282 1111297811 /nfs/dbraw/zinc/29/78/11/1111297811.db2.gz DNCDPEYUDZFFDR-KRWDZBQOSA-N 2 2 360.299 4.429 20 0 FIADLP C[C@@H](CCc1ccccc1)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000539367271 1111531779 /nfs/dbraw/zinc/53/17/79/1111531779.db2.gz ILDVPDPTTWUERP-NRFANRHFSA-N 2 2 365.565 4.289 20 0 FIADLP C[C@@H](CCc1ccccc1)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000539367271 1111531784 /nfs/dbraw/zinc/53/17/84/1111531784.db2.gz ILDVPDPTTWUERP-NRFANRHFSA-N 2 2 365.565 4.289 20 0 FIADLP CC[N@H+](C)[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)c1ccccc1 ZINC000478035366 1111647130 /nfs/dbraw/zinc/64/71/30/1111647130.db2.gz GAUOFVYTDJTXFU-IBGZPJMESA-N 2 2 359.901 4.033 20 0 FIADLP CC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 ZINC000478219662 1111719095 /nfs/dbraw/zinc/71/90/95/1111719095.db2.gz JLEVIJWZFFBTKB-UHFFFAOYSA-N 2 2 374.960 4.397 20 0 FIADLP CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000478247341 1111723659 /nfs/dbraw/zinc/72/36/59/1111723659.db2.gz DKUBIWXAHUZOJI-UHFFFAOYSA-N 2 2 363.461 4.117 20 0 FIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(Br)s1 ZINC000162848719 1111977699 /nfs/dbraw/zinc/97/76/99/1111977699.db2.gz WQNDKFGFBNMLSC-LBPRGKRZSA-N 2 2 354.317 4.449 20 0 FIADLP CC(C)[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(F)ccc1F ZINC000479332851 1111993509 /nfs/dbraw/zinc/99/35/09/1111993509.db2.gz VANOQUIWFZAERL-QFIPXVFZSA-N 2 2 374.475 4.284 20 0 FIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000667493945 1112035669 /nfs/dbraw/zinc/03/56/69/1112035669.db2.gz IIEZZZWTCBDFGI-UHFFFAOYSA-N 2 2 357.473 4.318 20 0 FIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000667493945 1112035674 /nfs/dbraw/zinc/03/56/74/1112035674.db2.gz IIEZZZWTCBDFGI-UHFFFAOYSA-N 2 2 357.473 4.318 20 0 FIADLP CC[N@@H+](Cc1c(C2CCC2)cnn1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667684228 1112452819 /nfs/dbraw/zinc/45/28/19/1112452819.db2.gz OORDSZHDCFXMLL-HXUWFJFHSA-N 2 2 366.553 4.032 20 0 FIADLP CC[N@H+](Cc1c(C2CCC2)cnn1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667684228 1112452822 /nfs/dbraw/zinc/45/28/22/1112452822.db2.gz OORDSZHDCFXMLL-HXUWFJFHSA-N 2 2 366.553 4.032 20 0 FIADLP CC[NH+](Cc1c(C2CCC2)cnn1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667684228 1112452825 /nfs/dbraw/zinc/45/28/25/1112452825.db2.gz OORDSZHDCFXMLL-HXUWFJFHSA-N 2 2 366.553 4.032 20 0 FIADLP CC[NH+](Cc1c(C2CCC2)cnn1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667684228 1112452827 /nfs/dbraw/zinc/45/28/27/1112452827.db2.gz OORDSZHDCFXMLL-HXUWFJFHSA-N 2 2 366.553 4.032 20 0 FIADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000480549243 1112471340 /nfs/dbraw/zinc/47/13/40/1112471340.db2.gz HKLVTHJHJZBYOC-FQEVSTJZSA-N 2 2 371.500 4.106 20 0 FIADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000480549243 1112471342 /nfs/dbraw/zinc/47/13/42/1112471342.db2.gz HKLVTHJHJZBYOC-FQEVSTJZSA-N 2 2 371.500 4.106 20 0 FIADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000480549243 1112471344 /nfs/dbraw/zinc/47/13/44/1112471344.db2.gz HKLVTHJHJZBYOC-FQEVSTJZSA-N 2 2 371.500 4.106 20 0 FIADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000480549243 1112471347 /nfs/dbraw/zinc/47/13/47/1112471347.db2.gz HKLVTHJHJZBYOC-FQEVSTJZSA-N 2 2 371.500 4.106 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CCS2 ZINC000480609036 1112499886 /nfs/dbraw/zinc/49/98/86/1112499886.db2.gz CSRHZPUXWZBFBU-OAGGEKHMSA-N 2 2 367.356 4.202 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CCS2 ZINC000480609036 1112499887 /nfs/dbraw/zinc/49/98/87/1112499887.db2.gz CSRHZPUXWZBFBU-OAGGEKHMSA-N 2 2 367.356 4.202 20 0 FIADLP Fc1cccc(-c2ccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)o2)c1F ZINC000480659029 1112533512 /nfs/dbraw/zinc/53/35/12/1112533512.db2.gz LEPCHQIHMUKFIZ-UHFFFAOYSA-N 2 2 369.415 4.378 20 0 FIADLP C[C@@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480715183 1112567212 /nfs/dbraw/zinc/56/72/12/1112567212.db2.gz IJXXVRIZCPRYHX-CQSZACIVSA-N 2 2 365.868 4.263 20 0 FIADLP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)c3cccc(Cl)c3F)CC2)CC1 ZINC000480872856 1112643527 /nfs/dbraw/zinc/64/35/27/1112643527.db2.gz UWPBONTZGMHYCO-MRXNPFEDSA-N 2 2 367.940 4.031 20 0 FIADLP COc1cc(OC)c([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000481433001 1112941550 /nfs/dbraw/zinc/94/15/50/1112941550.db2.gz HJXZOGIDGKOOIF-CYBMUJFWSA-N 2 2 352.906 4.025 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F)CCC2 ZINC000481648641 1113006843 /nfs/dbraw/zinc/00/68/43/1113006843.db2.gz ZGFXITXAOOLUBE-CJNGLKHVSA-N 2 2 351.416 4.309 20 0 FIADLP Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000481995692 1113151487 /nfs/dbraw/zinc/15/14/87/1113151487.db2.gz WTERFBFVKGTAAP-RTWAWAEBSA-N 2 2 362.521 4.153 20 0 FIADLP Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000481995692 1113151490 /nfs/dbraw/zinc/15/14/90/1113151490.db2.gz WTERFBFVKGTAAP-RTWAWAEBSA-N 2 2 362.521 4.153 20 0 FIADLP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)CC2 ZINC000482246784 1113210098 /nfs/dbraw/zinc/21/00/98/1113210098.db2.gz LCGMZZDXEBCVFI-KRWDZBQOSA-N 2 2 365.399 4.449 20 0 FIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cc1OC(F)F ZINC000162914110 1113244739 /nfs/dbraw/zinc/24/47/39/1113244739.db2.gz FCLKNIFRUKEKEY-CYBMUJFWSA-N 2 2 353.388 4.365 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(OC3CC3)c2F)CC1 ZINC000668075186 1113298899 /nfs/dbraw/zinc/29/88/99/1113298899.db2.gz LNOVIJMOCNMMDU-UHFFFAOYSA-N 2 2 356.441 4.114 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1Br ZINC000483144409 1113452897 /nfs/dbraw/zinc/45/28/97/1113452897.db2.gz ZDJRSLSCZBQSOI-AWEZNQCLSA-N 2 2 356.267 4.486 20 0 FIADLP C[C@H]([NH2+]Cc1nc2c(s1)C[C@H](C)CC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486561857 1113595034 /nfs/dbraw/zinc/59/50/34/1113595034.db2.gz GUKYESCTHJTKTD-AOIWGVFYSA-N 2 2 369.578 4.268 20 0 FIADLP C[C@H]([NH2+]Cc1nc2c(s1)C[C@H](C)CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486561857 1113595039 /nfs/dbraw/zinc/59/50/39/1113595039.db2.gz GUKYESCTHJTKTD-AOIWGVFYSA-N 2 2 369.578 4.268 20 0 FIADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC(c4ccsc4)CC3)sc2C1 ZINC000486923016 1113677311 /nfs/dbraw/zinc/67/73/11/1113677311.db2.gz GUUYUAVNZCUCSC-UHFFFAOYSA-N 2 2 361.580 4.351 20 0 FIADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC(c4ccsc4)CC3)sc2C1 ZINC000486923016 1113677314 /nfs/dbraw/zinc/67/73/14/1113677314.db2.gz GUUYUAVNZCUCSC-UHFFFAOYSA-N 2 2 361.580 4.351 20 0 FIADLP CC(C)[C@H]1C[C@H]([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CS1 ZINC000488448063 1113933781 /nfs/dbraw/zinc/93/37/81/1113933781.db2.gz LKJMRDRCJUUMHI-YSIASYRMSA-N 2 2 362.583 4.006 20 0 FIADLP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1)c1ccccc1Br ZINC000490171301 1114229402 /nfs/dbraw/zinc/22/94/02/1114229402.db2.gz BNDMMHKABHMKEA-IBGZPJMESA-N 2 2 370.294 4.333 20 0 FIADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490991154 1114360630 /nfs/dbraw/zinc/36/06/30/1114360630.db2.gz XHXZEXZOPBOUCR-VCBZYWHSSA-N 2 2 370.368 4.012 20 0 FIADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490991154 1114360633 /nfs/dbraw/zinc/36/06/33/1114360633.db2.gz XHXZEXZOPBOUCR-VCBZYWHSSA-N 2 2 370.368 4.012 20 0 FIADLP CC[C@H](C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)[NH+]1CCCC1 ZINC000588177604 1114548790 /nfs/dbraw/zinc/54/87/90/1114548790.db2.gz IJVSDNWMRMZYNR-MRXNPFEDSA-N 2 2 355.309 4.233 20 0 FIADLP C[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)Cn1cc[nH+]c1 ZINC000590611937 1114952767 /nfs/dbraw/zinc/95/27/67/1114952767.db2.gz XEDLXLMOHZKSMO-IBGZPJMESA-N 2 2 358.489 4.312 20 0 FIADLP COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(C)s2)cc1C[NH+]1CCCCC1 ZINC000760881107 1115121260 /nfs/dbraw/zinc/12/12/60/1115121260.db2.gz OPZAXUQUFQHKDH-CABCVRRESA-N 2 2 374.554 4.253 20 0 FIADLP FC(F)(F)c1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc(C(F)(F)F)c1 ZINC000573965915 1115226011 /nfs/dbraw/zinc/22/60/11/1115226011.db2.gz JXOHWRWFNBYCAK-LBPRGKRZSA-N 2 2 363.305 4.094 20 0 FIADLP CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccccc21 ZINC000593691162 1115342132 /nfs/dbraw/zinc/34/21/32/1115342132.db2.gz ORMWKFRAPRRQOF-VQTJNVASSA-N 2 2 372.553 4.409 20 0 FIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(Br)cs1 ZINC000226393340 1115350033 /nfs/dbraw/zinc/35/00/33/1115350033.db2.gz QYKYHNDFYSTZPW-FZMZJTMJSA-N 2 2 356.333 4.473 20 0 FIADLP COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000595022182 1115504798 /nfs/dbraw/zinc/50/47/98/1115504798.db2.gz KFHBQQRGRXOYTG-UYAOXDASSA-N 2 2 371.525 4.199 20 0 FIADLP CC(C)[NH2+][C@@H]1CCCN(c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000669650878 1115719513 /nfs/dbraw/zinc/71/95/13/1115719513.db2.gz PKTHQIDDFMMOTA-GFCCVEGCSA-N 2 2 366.278 4.103 20 0 FIADLP [NH3+]CCC[N@@H+](Cc1csc(COc2ccccc2)n1)CC1CCCC1 ZINC000489797063 1115782161 /nfs/dbraw/zinc/78/21/61/1115782161.db2.gz PKBDLTVTCOBWSQ-UHFFFAOYSA-N 2 2 359.539 4.063 20 0 FIADLP [NH3+]CCC[N@H+](Cc1csc(COc2ccccc2)n1)CC1CCCC1 ZINC000489797063 1115782164 /nfs/dbraw/zinc/78/21/64/1115782164.db2.gz PKBDLTVTCOBWSQ-UHFFFAOYSA-N 2 2 359.539 4.063 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)c1ccccc1 ZINC000669700357 1115819007 /nfs/dbraw/zinc/81/90/07/1115819007.db2.gz WWUVATYVBIEGBZ-FCEUIQTBSA-N 2 2 360.505 4.415 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000608068845 1116080689 /nfs/dbraw/zinc/08/06/89/1116080689.db2.gz GFPODHXHHDTQHJ-SFHVURJKSA-N 2 2 357.404 4.095 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccccc1 ZINC000608076208 1116081003 /nfs/dbraw/zinc/08/10/03/1116081003.db2.gz YQAOGELRPRIQAC-LJQANCHMSA-N 2 2 371.431 4.138 20 0 FIADLP C[N@@H+]1CC[C@H](CNc2cc[nH+]cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534974086 1116257143 /nfs/dbraw/zinc/25/71/43/1116257143.db2.gz LMMFGHPLLQZICC-SJKOYZFVSA-N 2 2 354.256 4.054 20 0 FIADLP C[N@H+]1CC[C@H](CNc2cc[nH+]cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534974086 1116257145 /nfs/dbraw/zinc/25/71/45/1116257145.db2.gz LMMFGHPLLQZICC-SJKOYZFVSA-N 2 2 354.256 4.054 20 0 FIADLP COc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1Cl ZINC000539658065 1116360507 /nfs/dbraw/zinc/36/05/07/1116360507.db2.gz MVRJNYLBPTUDAI-PBHICJAKSA-N 2 2 374.916 4.057 20 0 FIADLP Cc1c2ccccc2oc1[C@@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000539660061 1116361096 /nfs/dbraw/zinc/36/10/96/1116361096.db2.gz SXWIOZZEUYBHNJ-AEFFLSMTSA-N 2 2 364.493 4.450 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC(C)(C)c4ccccc43)[nH+]c2)CC1 ZINC000539687430 1116364635 /nfs/dbraw/zinc/36/46/35/1116364635.db2.gz BYXJMWLESPNZIW-OAQYLSRUSA-N 2 2 364.537 4.447 20 0 FIADLP C[C@H](CCc1ccc(F)cc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539687771 1116364837 /nfs/dbraw/zinc/36/48/37/1116364837.db2.gz DKISHOQNBMNFRB-QGZVFWFLSA-N 2 2 370.516 4.184 20 0 FIADLP CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(F)cc1 ZINC000539690219 1116365959 /nfs/dbraw/zinc/36/59/59/1116365959.db2.gz UVRCURHTLZUISN-HXUWFJFHSA-N 2 2 356.489 4.314 20 0 FIADLP Cc1cc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(C)s1 ZINC000539691204 1116366230 /nfs/dbraw/zinc/36/62/30/1116366230.db2.gz YSPNNFYFHWYBSA-OAHLLOKOSA-N 2 2 358.555 4.463 20 0 FIADLP CC(C)n1cc([C@@H](C)[NH2+]CC[C@@H](C)[NH2+][C@H](C)c2cnn(C(C)C)c2)cn1 ZINC000544469914 1116368190 /nfs/dbraw/zinc/36/81/90/1116368190.db2.gz YKNMTTFEOWDPIF-KZNAEPCWSA-N 2 2 360.550 4.021 20 0 FIADLP Fc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000539897841 1117739709 /nfs/dbraw/zinc/73/97/09/1117739709.db2.gz GRJBVZJABDXSRX-RDTXWAMCSA-N 2 2 356.407 4.293 20 0 FIADLP Fc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000539897841 1117739712 /nfs/dbraw/zinc/73/97/12/1117739712.db2.gz GRJBVZJABDXSRX-RDTXWAMCSA-N 2 2 356.407 4.293 20 0 FIADLP Fc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000539897841 1117739716 /nfs/dbraw/zinc/73/97/16/1117739716.db2.gz GRJBVZJABDXSRX-RDTXWAMCSA-N 2 2 356.407 4.293 20 0 FIADLP Fc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000539897841 1117739718 /nfs/dbraw/zinc/73/97/18/1117739718.db2.gz GRJBVZJABDXSRX-RDTXWAMCSA-N 2 2 356.407 4.293 20 0 FIADLP Fc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000539897838 1117739902 /nfs/dbraw/zinc/73/99/02/1117739902.db2.gz GRJBVZJABDXSRX-KBXCAEBGSA-N 2 2 356.407 4.293 20 0 FIADLP Fc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000539897838 1117739904 /nfs/dbraw/zinc/73/99/04/1117739904.db2.gz GRJBVZJABDXSRX-KBXCAEBGSA-N 2 2 356.407 4.293 20 0 FIADLP Fc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000539897838 1117739908 /nfs/dbraw/zinc/73/99/08/1117739908.db2.gz GRJBVZJABDXSRX-KBXCAEBGSA-N 2 2 356.407 4.293 20 0 FIADLP Fc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000539897838 1117739911 /nfs/dbraw/zinc/73/99/11/1117739911.db2.gz GRJBVZJABDXSRX-KBXCAEBGSA-N 2 2 356.407 4.293 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000540145517 1117897186 /nfs/dbraw/zinc/89/71/86/1117897186.db2.gz SGGHMVQSKHDHFR-UYAOXDASSA-N 2 2 367.537 4.402 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000540145517 1117897190 /nfs/dbraw/zinc/89/71/90/1117897190.db2.gz SGGHMVQSKHDHFR-UYAOXDASSA-N 2 2 367.537 4.402 20 0 FIADLP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)C1(C)C ZINC000463022645 1117919734 /nfs/dbraw/zinc/91/97/34/1117919734.db2.gz FIQBAWOYOMZBFP-CEWLAPEOSA-N 2 2 374.569 4.068 20 0 FIADLP CCCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463071265 1117955938 /nfs/dbraw/zinc/95/59/38/1117955938.db2.gz JUVVPIXESVXVME-WIYYLYMNSA-N 2 2 353.510 4.013 20 0 FIADLP CCCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463071265 1117955941 /nfs/dbraw/zinc/95/59/41/1117955941.db2.gz JUVVPIXESVXVME-WIYYLYMNSA-N 2 2 353.510 4.013 20 0 FIADLP C[C@@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000463118655 1117978448 /nfs/dbraw/zinc/97/84/48/1117978448.db2.gz KXVKJDAWKALYPA-SFHVURJKSA-N 2 2 363.977 4.014 20 0 FIADLP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000540406923 1118036704 /nfs/dbraw/zinc/03/67/04/1118036704.db2.gz XJSZQHZBCQUTCZ-WBMJQRKESA-N 2 2 366.328 4.108 20 0 FIADLP CCCCO[C@@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1(C)C ZINC000540597618 1118141045 /nfs/dbraw/zinc/14/10/45/1118141045.db2.gz VZQGCXXLTGAYQA-WOJBJXKFSA-N 2 2 355.526 4.047 20 0 FIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCSc4c(F)cccc43)[nH+]c2)C1 ZINC000540757871 1118225761 /nfs/dbraw/zinc/22/57/61/1118225761.db2.gz LNPWOKZBVCQHJC-CRAIPNDOSA-N 2 2 372.513 4.010 20 0 FIADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cc(F)ccc1F ZINC000540790003 1118248926 /nfs/dbraw/zinc/24/89/26/1118248926.db2.gz AGAOTVWAQZYPGN-FQEVSTJZSA-N 2 2 374.479 4.453 20 0 FIADLP CSC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1 ZINC000540990661 1118340767 /nfs/dbraw/zinc/34/07/67/1118340767.db2.gz SPLVIBPDHWOCNW-IXDOHACOSA-N 2 2 358.473 4.326 20 0 FIADLP CSC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1 ZINC000540990661 1118340774 /nfs/dbraw/zinc/34/07/74/1118340774.db2.gz SPLVIBPDHWOCNW-IXDOHACOSA-N 2 2 358.473 4.326 20 0 FIADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541202405 1118422250 /nfs/dbraw/zinc/42/22/50/1118422250.db2.gz IKDDYAAAVXOBDO-INIZCTEOSA-N 2 2 374.916 4.056 20 0 FIADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541202406 1118422336 /nfs/dbraw/zinc/42/23/36/1118422336.db2.gz IKDDYAAAVXOBDO-MRXNPFEDSA-N 2 2 374.916 4.056 20 0 FIADLP CC[C@@H]([NH2+]C[C@H](C)C[NH2+][C@@H](CC)c1c(C)noc1C)c1c(C)noc1C ZINC000541633654 1118590657 /nfs/dbraw/zinc/59/06/57/1118590657.db2.gz HSASGRHBYHTADK-ZECLBQNYSA-N 2 2 362.518 4.314 20 0 FIADLP Cc1[nH+]ccn1CCC[NH2+]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000541698267 1118610397 /nfs/dbraw/zinc/61/03/97/1118610397.db2.gz ZOPVCFXDTDOMJO-UHFFFAOYSA-N 2 2 371.529 4.462 20 0 FIADLP CC[N@H+](CCO[C@H]1CCCC[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807729 1118707604 /nfs/dbraw/zinc/70/76/04/1118707604.db2.gz INMLRPOWNNJCNN-CTNGQTDRSA-N 2 2 359.558 4.215 20 0 FIADLP CC[N@@H+](CCO[C@H]1CCCC[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807729 1118707609 /nfs/dbraw/zinc/70/76/09/1118707609.db2.gz INMLRPOWNNJCNN-CTNGQTDRSA-N 2 2 359.558 4.215 20 0 FIADLP Clc1ccc2c(NC[C@@H](c3ccccc3)[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000492680558 1119163775 /nfs/dbraw/zinc/16/37/75/1119163775.db2.gz HXSFWLDAGQADNW-NRFANRHFSA-N 2 2 367.880 4.374 20 0 FIADLP Clc1ccccc1O[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000542465840 1119447419 /nfs/dbraw/zinc/44/74/19/1119447419.db2.gz ZOVHPVIETOAIPR-HNNXBMFYSA-N 2 2 359.882 4.241 20 0 FIADLP Clc1ccccc1O[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000542465840 1119447421 /nfs/dbraw/zinc/44/74/21/1119447421.db2.gz ZOVHPVIETOAIPR-HNNXBMFYSA-N 2 2 359.882 4.241 20 0 FIADLP COC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000493970432 1119518167 /nfs/dbraw/zinc/51/81/67/1119518167.db2.gz SDHYTZXRUJSAJW-HXUWFJFHSA-N 2 2 350.934 4.414 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)CC[N@@H+]1C ZINC000184606627 1119616763 /nfs/dbraw/zinc/61/67/63/1119616763.db2.gz QKAGPNQKBAANET-XOKHGSTOSA-N 2 2 359.514 4.399 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)CC[N@H+]1C ZINC000184606627 1119616771 /nfs/dbraw/zinc/61/67/71/1119616771.db2.gz QKAGPNQKBAANET-XOKHGSTOSA-N 2 2 359.514 4.399 20 0 FIADLP CC(C)c1nc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cs1 ZINC000186316062 1119721376 /nfs/dbraw/zinc/72/13/76/1119721376.db2.gz IUIGQFWNGXRTNB-HKUYNNGSSA-N 2 2 357.567 4.482 20 0 FIADLP CC(C)c1nc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cs1 ZINC000186316062 1119721380 /nfs/dbraw/zinc/72/13/80/1119721380.db2.gz IUIGQFWNGXRTNB-HKUYNNGSSA-N 2 2 357.567 4.482 20 0 FIADLP C[N@H+](CCCCc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000187134136 1119768876 /nfs/dbraw/zinc/76/88/76/1119768876.db2.gz ANDKQOYFYYJRCR-UHFFFAOYSA-N 2 2 351.538 4.043 20 0 FIADLP C[N@@H+](CCCCc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000187134136 1119768882 /nfs/dbraw/zinc/76/88/82/1119768882.db2.gz ANDKQOYFYYJRCR-UHFFFAOYSA-N 2 2 351.538 4.043 20 0 FIADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cnn1C(C)(C)C ZINC000191103822 1119961054 /nfs/dbraw/zinc/96/10/54/1119961054.db2.gz BNJIEFLTLJSQJL-KRWDZBQOSA-N 2 2 354.542 4.262 20 0 FIADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cnn1C(C)C ZINC000191183862 1119964166 /nfs/dbraw/zinc/96/41/66/1119964166.db2.gz PDYJLDPXDCHXCU-SFHVURJKSA-N 2 2 354.542 4.396 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nccn2-c2ccccc2)cc1 ZINC000191304422 1119970393 /nfs/dbraw/zinc/97/03/93/1119970393.db2.gz LQYFIGRFWWJTHT-QGZVFWFLSA-N 2 2 357.461 4.217 20 0 FIADLP C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000192542757 1120066896 /nfs/dbraw/zinc/06/68/96/1120066896.db2.gz XYBQQVPHHVOUTH-JPYJTQIMSA-N 2 2 361.489 4.113 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc2c(s1)CCCC2 ZINC000195134098 1120120205 /nfs/dbraw/zinc/12/02/05/1120120205.db2.gz JIXWVXXTDUCYEH-AEFFLSMTSA-N 2 2 355.551 4.195 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2c(s1)CCCC2 ZINC000195134098 1120120207 /nfs/dbraw/zinc/12/02/07/1120120207.db2.gz JIXWVXXTDUCYEH-AEFFLSMTSA-N 2 2 355.551 4.195 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495002317 1120419475 /nfs/dbraw/zinc/41/94/75/1120419475.db2.gz XVBXEXAQWSTLBJ-ULQDDVLXSA-N 2 2 354.498 4.130 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495002317 1120419477 /nfs/dbraw/zinc/41/94/77/1120419477.db2.gz XVBXEXAQWSTLBJ-ULQDDVLXSA-N 2 2 354.498 4.130 20 0 FIADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCOC(c3ccccc3)c3ccccc3)C2)[nH]1 ZINC000495003835 1120422358 /nfs/dbraw/zinc/42/23/58/1120422358.db2.gz DHSHDBGQWUUEIK-NRFANRHFSA-N 2 2 361.489 4.395 20 0 FIADLP c1c[nH+]c([C@H]2CCC[N@H+](CCOC(c3ccccc3)c3ccccc3)C2)[nH]1 ZINC000495003835 1120422364 /nfs/dbraw/zinc/42/23/64/1120422364.db2.gz DHSHDBGQWUUEIK-NRFANRHFSA-N 2 2 361.489 4.395 20 0 FIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915209828 1120873413 /nfs/dbraw/zinc/87/34/13/1120873413.db2.gz UYUVVUZVARJPCN-JKSUJKDBSA-N 2 2 355.596 4.161 20 0 FIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915209828 1120873419 /nfs/dbraw/zinc/87/34/19/1120873419.db2.gz UYUVVUZVARJPCN-JKSUJKDBSA-N 2 2 355.596 4.161 20 0 FIADLP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cc(Br)ncc1F ZINC000762736402 1120956752 /nfs/dbraw/zinc/95/67/52/1120956752.db2.gz QFHRRNAPYWLMEB-CYBMUJFWSA-N 2 2 372.326 4.288 20 0 FIADLP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cc(Br)ncc1F ZINC000762736402 1120956754 /nfs/dbraw/zinc/95/67/54/1120956754.db2.gz QFHRRNAPYWLMEB-CYBMUJFWSA-N 2 2 372.326 4.288 20 0 FIADLP C[NH+](C)C1CCN(c2ccc([NH2+]C3CCC(C(F)F)CC3)cc2)CC1 ZINC000282214218 1121445335 /nfs/dbraw/zinc/44/53/35/1121445335.db2.gz HNVZCRJUYWWZLR-UHFFFAOYSA-N 2 2 351.485 4.453 20 0 FIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000125192747 1121754654 /nfs/dbraw/zinc/75/46/54/1121754654.db2.gz ACGYFBQZYZYSSB-UHFFFAOYSA-N 2 2 355.507 4.472 20 0 FIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000125192747 1121754666 /nfs/dbraw/zinc/75/46/66/1121754666.db2.gz ACGYFBQZYZYSSB-UHFFFAOYSA-N 2 2 355.507 4.472 20 0 FIADLP CCc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)o1 ZINC000126778414 1121990432 /nfs/dbraw/zinc/99/04/32/1121990432.db2.gz FCXOLFACBVRWRJ-HOTGVXAUSA-N 2 2 359.489 4.145 20 0 FIADLP Cc1c(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)sc2nc(C)nc(C)c12 ZINC000917424615 1122308905 /nfs/dbraw/zinc/30/89/05/1122308905.db2.gz OVEFIPGQXJMNKD-INIZCTEOSA-N 2 2 357.527 4.018 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)cc1F ZINC000497822194 1122426765 /nfs/dbraw/zinc/42/67/65/1122426765.db2.gz LTBCQFVFLICVGN-HXUWFJFHSA-N 2 2 356.420 4.341 20 0 FIADLP C[N@@H+](Cc1ccc(C(F)(F)F)cn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000556497130 1122927246 /nfs/dbraw/zinc/92/72/46/1122927246.db2.gz FINIELLDVFBQJB-QGZVFWFLSA-N 2 2 363.427 4.054 20 0 FIADLP C[N@H+](Cc1ccc(C(F)(F)F)cn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000556497130 1122927250 /nfs/dbraw/zinc/92/72/50/1122927250.db2.gz FINIELLDVFBQJB-QGZVFWFLSA-N 2 2 363.427 4.054 20 0 FIADLP C[NH+](Cc1ccc(C(F)(F)F)cn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556497130 1122927251 /nfs/dbraw/zinc/92/72/51/1122927251.db2.gz FINIELLDVFBQJB-QGZVFWFLSA-N 2 2 363.427 4.054 20 0 FIADLP C[NH+](Cc1ccc(C(F)(F)F)cn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556497130 1122927254 /nfs/dbraw/zinc/92/72/54/1122927254.db2.gz FINIELLDVFBQJB-QGZVFWFLSA-N 2 2 363.427 4.054 20 0 FIADLP COc1ncc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000556587864 1122989625 /nfs/dbraw/zinc/98/96/25/1122989625.db2.gz GEQKZANZLSASKI-HNNXBMFYSA-N 2 2 359.901 4.059 20 0 FIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000556595819 1122990822 /nfs/dbraw/zinc/99/08/22/1122990822.db2.gz XQIRKPZMASZVHH-QGZVFWFLSA-N 2 2 352.526 4.089 20 0 FIADLP C[NH+](C)[C@]1(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCSC1 ZINC000556871012 1123153869 /nfs/dbraw/zinc/15/38/69/1123153869.db2.gz IFBBKGTYXVLTLB-SJORKVTESA-N 2 2 374.472 4.063 20 0 FIADLP COc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1Cl ZINC000132156622 1123223972 /nfs/dbraw/zinc/22/39/72/1123223972.db2.gz ACYXETWPOMEOKK-INIZCTEOSA-N 2 2 369.896 4.487 20 0 FIADLP Cc1ccc(C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C2CC2)cc1 ZINC000132295435 1123239885 /nfs/dbraw/zinc/23/98/85/1123239885.db2.gz LLFZAOGESYODMI-HSZRJFAPSA-N 2 2 359.517 4.393 20 0 FIADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)C1 ZINC000556934430 1123247181 /nfs/dbraw/zinc/24/71/81/1123247181.db2.gz VDZREJXZBGQTDW-IBGZPJMESA-N 2 2 361.942 4.381 20 0 FIADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)C1 ZINC000556934430 1123247182 /nfs/dbraw/zinc/24/71/82/1123247182.db2.gz VDZREJXZBGQTDW-IBGZPJMESA-N 2 2 361.942 4.381 20 0 FIADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)C1 ZINC000556934430 1123247186 /nfs/dbraw/zinc/24/71/86/1123247186.db2.gz VDZREJXZBGQTDW-IBGZPJMESA-N 2 2 361.942 4.381 20 0 FIADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)C1 ZINC000556934430 1123247190 /nfs/dbraw/zinc/24/71/90/1123247190.db2.gz VDZREJXZBGQTDW-IBGZPJMESA-N 2 2 361.942 4.381 20 0 FIADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000136297186 1123873478 /nfs/dbraw/zinc/87/34/78/1123873478.db2.gz XVLHERIGILCHFP-UHFFFAOYSA-N 2 2 374.941 4.414 20 0 FIADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000136297186 1123873485 /nfs/dbraw/zinc/87/34/85/1123873485.db2.gz XVLHERIGILCHFP-UHFFFAOYSA-N 2 2 374.941 4.414 20 0 FIADLP C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000245844548 1124260755 /nfs/dbraw/zinc/26/07/55/1124260755.db2.gz FFFLAJLKDKEMND-WVFSVQOHSA-N 2 2 369.415 4.331 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000245870308 1124268299 /nfs/dbraw/zinc/26/82/99/1124268299.db2.gz RIZYCRAWCSLTPG-MSOLQXFVSA-N 2 2 372.582 4.235 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000245870308 1124268305 /nfs/dbraw/zinc/26/83/05/1124268305.db2.gz RIZYCRAWCSLTPG-MSOLQXFVSA-N 2 2 372.582 4.235 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000245870308 1124268313 /nfs/dbraw/zinc/26/83/13/1124268313.db2.gz RIZYCRAWCSLTPG-MSOLQXFVSA-N 2 2 372.582 4.235 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000245870308 1124268320 /nfs/dbraw/zinc/26/83/20/1124268320.db2.gz RIZYCRAWCSLTPG-MSOLQXFVSA-N 2 2 372.582 4.235 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000246420063 1124499148 /nfs/dbraw/zinc/49/91/48/1124499148.db2.gz NCHJSZQOMOMGIC-FASAQXTFSA-N 2 2 371.352 4.412 20 0 FIADLP Clc1ccc2c(NC[C@@H](c3cccs3)[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000060462427 1124566541 /nfs/dbraw/zinc/56/65/41/1124566541.db2.gz GHURMZPLZWCPKY-SFHVURJKSA-N 2 2 373.909 4.435 20 0 FIADLP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247219699 1124600051 /nfs/dbraw/zinc/60/00/51/1124600051.db2.gz XPBSERAWCPHMCX-SIKLNZKXSA-N 2 2 367.537 4.117 20 0 FIADLP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247219699 1124600057 /nfs/dbraw/zinc/60/00/57/1124600057.db2.gz XPBSERAWCPHMCX-SIKLNZKXSA-N 2 2 367.537 4.117 20 0 FIADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C(C)C ZINC000248697710 1124802294 /nfs/dbraw/zinc/80/22/94/1124802294.db2.gz LPIIEFABZOQSNQ-BBTUJRGHSA-N 2 2 354.542 4.476 20 0 FIADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C(C)C ZINC000248697710 1124802299 /nfs/dbraw/zinc/80/22/99/1124802299.db2.gz LPIIEFABZOQSNQ-BBTUJRGHSA-N 2 2 354.542 4.476 20 0 FIADLP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000248977689 1124831664 /nfs/dbraw/zinc/83/16/64/1124831664.db2.gz DUVNWCQPVNHFAY-XXBNENTESA-N 2 2 367.537 4.179 20 0 FIADLP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000248977689 1124831677 /nfs/dbraw/zinc/83/16/77/1124831677.db2.gz DUVNWCQPVNHFAY-XXBNENTESA-N 2 2 367.537 4.179 20 0 FIADLP Cc1ccc(-c2ncc(C[NH+]3CCC(n4cc[nH+]c4)CC3)s2)cc1C ZINC000656252539 1124843370 /nfs/dbraw/zinc/84/33/70/1124843370.db2.gz WGZMIEUJXNEZHS-UHFFFAOYSA-N 2 2 352.507 4.461 20 0 FIADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090657220 1125010988 /nfs/dbraw/zinc/01/09/88/1125010988.db2.gz OOMDPBSWBNEWJP-GCJKJVERSA-N 2 2 363.505 4.325 20 0 FIADLP COCCCOc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000090718824 1125015914 /nfs/dbraw/zinc/01/59/14/1125015914.db2.gz PNTMMWFZAMOABU-SFHVURJKSA-N 2 2 365.477 4.138 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1nc2ccccc2n1C ZINC000091341416 1125067125 /nfs/dbraw/zinc/06/71/25/1125067125.db2.gz ZXRILWFUEKRGQS-QZTJIDSGSA-N 2 2 362.521 4.450 20 0 FIADLP CCCn1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000093318055 1125298664 /nfs/dbraw/zinc/29/86/64/1125298664.db2.gz QHPBZPLPDLXQFF-GCJKJVERSA-N 2 2 368.569 4.395 20 0 FIADLP CCCn1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000093318055 1125298672 /nfs/dbraw/zinc/29/86/72/1125298672.db2.gz QHPBZPLPDLXQFF-GCJKJVERSA-N 2 2 368.569 4.395 20 0 FIADLP CCCn1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000093318055 1125298678 /nfs/dbraw/zinc/29/86/78/1125298678.db2.gz QHPBZPLPDLXQFF-GCJKJVERSA-N 2 2 368.569 4.395 20 0 FIADLP CCCn1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000093318055 1125298684 /nfs/dbraw/zinc/29/86/84/1125298684.db2.gz QHPBZPLPDLXQFF-GCJKJVERSA-N 2 2 368.569 4.395 20 0 FIADLP CC[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000603942469 568185287 /nfs/dbraw/zinc/18/52/87/568185287.db2.gz PMPXXSTVPIRYKA-UGKGYDQZSA-N 2 2 363.505 4.023 20 0 FIADLP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000603942469 568185288 /nfs/dbraw/zinc/18/52/88/568185288.db2.gz PMPXXSTVPIRYKA-UGKGYDQZSA-N 2 2 363.505 4.023 20 0 FIADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000604773123 568363663 /nfs/dbraw/zinc/36/36/63/568363663.db2.gz AIADOQNXPIDBPY-BLLLJJGKSA-N 2 2 374.356 4.276 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1csc(Cl)c1 ZINC000390909653 568533514 /nfs/dbraw/zinc/53/35/14/568533514.db2.gz NOUMSKDDBDWEPD-YJBOKZPZSA-N 2 2 364.942 4.343 20 0 FIADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]ccc4ccccc43)C[C@H]21 ZINC001165027653 721803149 /nfs/dbraw/zinc/80/31/49/721803149.db2.gz WWQQMKRULDMENN-WWPVKYPJSA-N 2 2 372.516 4.367 20 0 FIADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]ccc4ccccc43)C[C@H]21 ZINC001165027653 721803150 /nfs/dbraw/zinc/80/31/50/721803150.db2.gz WWQQMKRULDMENN-WWPVKYPJSA-N 2 2 372.516 4.367 20 0 FIADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4ccccc4c[nH+]3)C[C@H]21 ZINC001165025795 721804951 /nfs/dbraw/zinc/80/49/51/721804951.db2.gz OVEXJOKCDUVSTH-YMPZKCBVSA-N 2 2 372.516 4.367 20 0 FIADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4ccccc4c[nH+]3)C[C@H]21 ZINC001165025795 721804954 /nfs/dbraw/zinc/80/49/54/721804954.db2.gz OVEXJOKCDUVSTH-YMPZKCBVSA-N 2 2 372.516 4.367 20 0 FIADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4ccccc4c[nH+]3)C[C@@H]21 ZINC001165025793 721805081 /nfs/dbraw/zinc/80/50/81/721805081.db2.gz OVEXJOKCDUVSTH-AKIFATBCSA-N 2 2 372.516 4.367 20 0 FIADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4ccccc4c[nH+]3)C[C@@H]21 ZINC001165025793 721805082 /nfs/dbraw/zinc/80/50/82/721805082.db2.gz OVEXJOKCDUVSTH-AKIFATBCSA-N 2 2 372.516 4.367 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3nc2N2CCCCC2)CC[N@@H+]1C ZINC000093644976 1125471835 /nfs/dbraw/zinc/47/18/35/1125471835.db2.gz RWBWRHPIOWXYCN-RXVVDRJESA-N 2 2 366.553 4.140 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3nc2N2CCCCC2)CC[N@H+]1C ZINC000093644976 1125471838 /nfs/dbraw/zinc/47/18/38/1125471838.db2.gz RWBWRHPIOWXYCN-RXVVDRJESA-N 2 2 366.553 4.140 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3ccccc3nc2N2CCCCC2)CC[NH+]1C ZINC000093644976 1125471839 /nfs/dbraw/zinc/47/18/39/1125471839.db2.gz RWBWRHPIOWXYCN-RXVVDRJESA-N 2 2 366.553 4.140 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3ccccc3nc2N2CCCCC2)CC[NH+]1C ZINC000093644976 1125471842 /nfs/dbraw/zinc/47/18/42/1125471842.db2.gz RWBWRHPIOWXYCN-RXVVDRJESA-N 2 2 366.553 4.140 20 0 FIADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OCc1ccccc1 ZINC000093644759 1125472406 /nfs/dbraw/zinc/47/24/06/1125472406.db2.gz XYMVFELBMIXKHW-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OCc1ccccc1 ZINC000093644759 1125472412 /nfs/dbraw/zinc/47/24/12/1125472412.db2.gz XYMVFELBMIXKHW-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1ccccc1 ZINC000093644759 1125472421 /nfs/dbraw/zinc/47/24/21/1125472421.db2.gz XYMVFELBMIXKHW-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1ccccc1 ZINC000093644759 1125472431 /nfs/dbraw/zinc/47/24/31/1125472431.db2.gz XYMVFELBMIXKHW-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000093770509 1125520429 /nfs/dbraw/zinc/52/04/29/1125520429.db2.gz IKIVRICJMGOWLU-SFHVURJKSA-N 2 2 374.550 4.109 20 0 FIADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000093770509 1125520435 /nfs/dbraw/zinc/52/04/35/1125520435.db2.gz IKIVRICJMGOWLU-SFHVURJKSA-N 2 2 374.550 4.109 20 0 FIADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000093770509 1125520438 /nfs/dbraw/zinc/52/04/38/1125520438.db2.gz IKIVRICJMGOWLU-SFHVURJKSA-N 2 2 374.550 4.109 20 0 FIADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000093770509 1125520442 /nfs/dbraw/zinc/52/04/42/1125520442.db2.gz IKIVRICJMGOWLU-SFHVURJKSA-N 2 2 374.550 4.109 20 0 FIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152780816 1125651115 /nfs/dbraw/zinc/65/11/15/1125651115.db2.gz GKXADKLDRMTPSD-CABCVRRESA-N 2 2 354.523 4.153 20 0 FIADLP CCOc1ccc([C@H](CC)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1OCC ZINC000152817834 1125660571 /nfs/dbraw/zinc/66/05/71/1125660571.db2.gz RBDMJCDUCQNLAB-IBGZPJMESA-N 2 2 371.525 4.300 20 0 FIADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1F ZINC000683229305 1080059792 /nfs/dbraw/zinc/05/97/92/1080059792.db2.gz BHWABEPYMYMQRE-GHTZIAJQSA-N 2 2 356.485 4.076 20 0 FIADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1F ZINC000683229305 1080059804 /nfs/dbraw/zinc/05/98/04/1080059804.db2.gz BHWABEPYMYMQRE-GHTZIAJQSA-N 2 2 356.485 4.076 20 0 FIADLP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471167092 1080067963 /nfs/dbraw/zinc/06/79/63/1080067963.db2.gz ABHPYDGKEKGEIR-TZMCWYRMSA-N 2 2 357.845 4.054 20 0 FIADLP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471167092 1080067971 /nfs/dbraw/zinc/06/79/71/1080067971.db2.gz ABHPYDGKEKGEIR-TZMCWYRMSA-N 2 2 357.845 4.054 20 0 FIADLP C[N@H+](Cc1ccc(Br)o1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000179556968 1080202333 /nfs/dbraw/zinc/20/23/33/1080202333.db2.gz PRWRJQGBVSLAPR-UHFFFAOYSA-N 2 2 363.299 4.139 20 0 FIADLP C[N@@H+](Cc1ccc(Br)o1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000179556968 1080202341 /nfs/dbraw/zinc/20/23/41/1080202341.db2.gz PRWRJQGBVSLAPR-UHFFFAOYSA-N 2 2 363.299 4.139 20 0 FIADLP C[C@H](C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)Cn1cc[nH+]c1 ZINC000179865530 1080336561 /nfs/dbraw/zinc/33/65/61/1080336561.db2.gz KTHUJXUPWIVNPB-QGZVFWFLSA-N 2 2 353.441 4.027 20 0 FIADLP CCOc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2Cl)cc1 ZINC000179991274 1080402551 /nfs/dbraw/zinc/40/25/51/1080402551.db2.gz HBGOAEYPDRJHEU-FQEVSTJZSA-N 2 2 355.869 4.314 20 0 FIADLP CCOc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2Cl)cc1 ZINC000179991287 1080402935 /nfs/dbraw/zinc/40/29/35/1080402935.db2.gz HBGOAEYPDRJHEU-HXUWFJFHSA-N 2 2 355.869 4.314 20 0 FIADLP Fc1ccc(Br)cc1[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000179991562 1080402955 /nfs/dbraw/zinc/40/29/55/1080402955.db2.gz ZTVRLKLZLLPBEI-SFHVURJKSA-N 2 2 374.257 4.164 20 0 FIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cnc(C)s1 ZINC000109804127 1080830758 /nfs/dbraw/zinc/83/07/58/1080830758.db2.gz IDXMMHCNSHJHGV-UHFFFAOYSA-N 2 2 370.522 4.139 20 0 FIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc(C)s1 ZINC000109804127 1080830761 /nfs/dbraw/zinc/83/07/61/1080830761.db2.gz IDXMMHCNSHJHGV-UHFFFAOYSA-N 2 2 370.522 4.139 20 0 FIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC)c(OC)c1 ZINC000510251764 1080903008 /nfs/dbraw/zinc/90/30/08/1080903008.db2.gz IFFZGGQCCMGJJW-IBGZPJMESA-N 2 2 351.450 4.130 20 0 FIADLP Fc1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2cccs2)cc1 ZINC000655682393 1081110565 /nfs/dbraw/zinc/11/05/65/1081110565.db2.gz DKPSCQINQKESGJ-CTNGQTDRSA-N 2 2 374.525 4.210 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000655704981 1081126411 /nfs/dbraw/zinc/12/64/11/1081126411.db2.gz SHKUDEZDSHSECP-NQIIRXRSSA-N 2 2 366.505 4.383 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Oc1ccccc1 ZINC000655704747 1081126865 /nfs/dbraw/zinc/12/68/65/1081126865.db2.gz JZYYWDVDTBKYGL-ICSRJNTNSA-N 2 2 366.505 4.383 20 0 FIADLP C[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655702226 1081127495 /nfs/dbraw/zinc/12/74/95/1081127495.db2.gz ZXJGSTJOBUPEAK-YADARESESA-N 2 2 364.533 4.128 20 0 FIADLP Cc1c2ccccc2oc1[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000655710958 1081130020 /nfs/dbraw/zinc/13/00/20/1081130020.db2.gz FGEQUTIMHNRDMJ-GHTZIAJQSA-N 2 2 356.510 4.281 20 0 FIADLP Clc1cccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCCC2)c1 ZINC000655734252 1081152031 /nfs/dbraw/zinc/15/20/31/1081152031.db2.gz DBANACYHTWYCBF-NHCUHLMSSA-N 2 2 362.945 4.414 20 0 FIADLP C[C@@H]1CCCC[C@@H]1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001648830262 1081267475 /nfs/dbraw/zinc/26/74/75/1081267475.db2.gz NGAQJSWSWHNSGT-FYYLOGMGSA-N 2 2 357.586 4.000 20 0 FIADLP O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)c1cccs1 ZINC000175829598 1081370115 /nfs/dbraw/zinc/37/01/15/1081370115.db2.gz YPNNKWUHBFSKIF-MOPGFXCFSA-N 2 2 353.491 4.022 20 0 FIADLP O[C@@H](C[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)c1cccs1 ZINC000175829598 1081370122 /nfs/dbraw/zinc/37/01/22/1081370122.db2.gz YPNNKWUHBFSKIF-MOPGFXCFSA-N 2 2 353.491 4.022 20 0 FIADLP c1cc2cc(C[NH2+]CC3([NH+]4CCSCC4)CCCCC3)ccc2cn1 ZINC000683768821 1081526909 /nfs/dbraw/zinc/52/69/09/1081526909.db2.gz LUXOSQCORQEPES-UHFFFAOYSA-N 2 2 355.551 4.076 20 0 FIADLP Brc1cc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c2[nH+]ccn2c1 ZINC001210706321 1081559051 /nfs/dbraw/zinc/55/90/51/1081559051.db2.gz WAIXUXDQXIZPLR-OAHLLOKOSA-N 2 2 361.287 4.041 20 0 FIADLP CC[NH+](CC)CCOC1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000580666951 1082072856 /nfs/dbraw/zinc/07/28/56/1082072856.db2.gz JTZGKFDIIFAMRO-UHFFFAOYSA-N 2 2 361.917 4.215 20 0 FIADLP CC(C)OCc1ccccc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000580684586 1082084457 /nfs/dbraw/zinc/08/44/57/1082084457.db2.gz VCXSPWRKSIBONO-UHFFFAOYSA-N 2 2 358.448 4.118 20 0 FIADLP C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000471620969 1082163347 /nfs/dbraw/zinc/16/33/47/1082163347.db2.gz UTFXFLJBJZAXPE-MRXNPFEDSA-N 2 2 362.452 4.396 20 0 FIADLP Cc1ccc([C@@H](C[NH2+]Cc2ccccc2-c2ccnn2C)[NH+]2CCCC2)cc1 ZINC000510356839 1082179706 /nfs/dbraw/zinc/17/97/06/1082179706.db2.gz UCGMOKVOVXQRCJ-XMMPIXPASA-N 2 2 374.532 4.322 20 0 FIADLP CC[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000581043258 1082290059 /nfs/dbraw/zinc/29/00/59/1082290059.db2.gz XJWJFNRDGLQIIN-JKSUJKDBSA-N 2 2 362.315 4.031 20 0 FIADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3c[nH+]c(C)n3C)s2)cc1 ZINC000581201244 1082367228 /nfs/dbraw/zinc/36/72/28/1082367228.db2.gz BKIIHKUHDIOIKG-GFCCVEGCSA-N 2 2 356.495 4.020 20 0 FIADLP Cc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc1Br ZINC000581217000 1082380341 /nfs/dbraw/zinc/38/03/41/1082380341.db2.gz ACDNYBMOGINMLN-UHFFFAOYSA-N 2 2 370.294 4.292 20 0 FIADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000510665213 1083227286 /nfs/dbraw/zinc/22/72/86/1083227286.db2.gz BWMZTCICQVTHKE-INIZCTEOSA-N 2 2 355.432 4.321 20 0 FIADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000510756970 1083294564 /nfs/dbraw/zinc/29/45/64/1083294564.db2.gz UEVXSHXEMKNXGW-KRWDZBQOSA-N 2 2 369.459 4.363 20 0 FIADLP CCC[N@H+](Cc1csc(-c2ccc(OCC)cc2)n1)C1CC[NH2+]CC1 ZINC000431064073 1083318592 /nfs/dbraw/zinc/31/85/92/1083318592.db2.gz BVNHAKJKHXDTBT-UHFFFAOYSA-N 2 2 359.539 4.173 20 0 FIADLP CCC[N@@H+](Cc1csc(-c2ccc(OCC)cc2)n1)C1CC[NH2+]CC1 ZINC000431064073 1083318596 /nfs/dbraw/zinc/31/85/96/1083318596.db2.gz BVNHAKJKHXDTBT-UHFFFAOYSA-N 2 2 359.539 4.173 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1Cl ZINC000658292415 1083395419 /nfs/dbraw/zinc/39/54/19/1083395419.db2.gz XLOCQCJDKXRYTD-CRAIPNDOSA-N 2 2 357.325 4.287 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000658293711 1083396955 /nfs/dbraw/zinc/39/69/55/1083396955.db2.gz IXVZJDWOKYGQFJ-LPHOPBHVSA-N 2 2 364.489 4.490 20 0 FIADLP CCCCOc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1OCC ZINC000092648866 1083463069 /nfs/dbraw/zinc/46/30/69/1083463069.db2.gz QWTLABKUXUYZNW-UHFFFAOYSA-N 2 2 357.498 4.298 20 0 FIADLP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C)n1 ZINC000510948131 1083531684 /nfs/dbraw/zinc/53/16/84/1083531684.db2.gz HWLVCYOJEHQVER-UWJYYQICSA-N 2 2 352.526 4.045 20 0 FIADLP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C)n1 ZINC000510948131 1083531693 /nfs/dbraw/zinc/53/16/93/1083531693.db2.gz HWLVCYOJEHQVER-UWJYYQICSA-N 2 2 352.526 4.045 20 0 FIADLP Fc1ccc(CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)c1 ZINC000570284059 1084000429 /nfs/dbraw/zinc/00/04/29/1084000429.db2.gz RJXDKOLYDFLFAO-INIZCTEOSA-N 2 2 361.892 4.434 20 0 FIADLP Fc1ccc(CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)c1 ZINC000570284059 1084000441 /nfs/dbraw/zinc/00/04/41/1084000441.db2.gz RJXDKOLYDFLFAO-INIZCTEOSA-N 2 2 361.892 4.434 20 0 FIADLP Cc1ccc2[nH]c(C[NH2+]C3CC[NH+]([C@@H](C)c4ccncc4)CC3)cc2c1C ZINC000472064158 1084215470 /nfs/dbraw/zinc/21/54/70/1084215470.db2.gz HPBXMUBUQQAXIY-SFHVURJKSA-N 2 2 362.521 4.495 20 0 FIADLP CCn1nc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c2ccccc21 ZINC000472078268 1084256882 /nfs/dbraw/zinc/25/68/82/1084256882.db2.gz AEPIUCOHERJKAR-MRXNPFEDSA-N 2 2 359.477 4.401 20 0 FIADLP CC(C)(C)OC(=O)Nc1ccsc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000892098936 1084283172 /nfs/dbraw/zinc/28/31/72/1084283172.db2.gz VOTWZTUKNWAYPQ-OAHLLOKOSA-N 2 2 365.543 4.013 20 0 FIADLP CC(C)(C)OC(=O)Nc1ccsc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000892098936 1084283178 /nfs/dbraw/zinc/28/31/78/1084283178.db2.gz VOTWZTUKNWAYPQ-OAHLLOKOSA-N 2 2 365.543 4.013 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC001167512838 1084376852 /nfs/dbraw/zinc/37/68/52/1084376852.db2.gz QPLAIOGNKWOVQW-KXBFYZLASA-N 2 2 365.359 4.490 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC001167512838 1084376867 /nfs/dbraw/zinc/37/68/67/1084376867.db2.gz QPLAIOGNKWOVQW-KXBFYZLASA-N 2 2 365.359 4.490 20 0 FIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892132926 1084398874 /nfs/dbraw/zinc/39/88/74/1084398874.db2.gz BUIROJXRPOBWOJ-OAHLLOKOSA-N 2 2 367.559 4.259 20 0 FIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892132926 1084398890 /nfs/dbraw/zinc/39/88/90/1084398890.db2.gz BUIROJXRPOBWOJ-OAHLLOKOSA-N 2 2 367.559 4.259 20 0 FIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892132926 1084398902 /nfs/dbraw/zinc/39/89/02/1084398902.db2.gz BUIROJXRPOBWOJ-OAHLLOKOSA-N 2 2 367.559 4.259 20 0 FIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892132926 1084398915 /nfs/dbraw/zinc/39/89/15/1084398915.db2.gz BUIROJXRPOBWOJ-OAHLLOKOSA-N 2 2 367.559 4.259 20 0 FIADLP CC[N@H+](Cc1ccc(Cl)cc1OC(F)(F)F)C1CC[NH+](C)CC1 ZINC001143432291 1084407008 /nfs/dbraw/zinc/40/70/08/1084407008.db2.gz CUKGIDOPPMJMOD-UHFFFAOYSA-N 2 2 350.812 4.155 20 0 FIADLP CC[N@@H+](Cc1ccc(Cl)cc1OC(F)(F)F)C1CC[NH+](C)CC1 ZINC001143432291 1084407013 /nfs/dbraw/zinc/40/70/13/1084407013.db2.gz CUKGIDOPPMJMOD-UHFFFAOYSA-N 2 2 350.812 4.155 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc2n(n1)CCC2 ZINC000414065913 1084420149 /nfs/dbraw/zinc/42/01/49/1084420149.db2.gz HNLKTYYVVTZAMQ-OTWHNJEPSA-N 2 2 366.553 4.158 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cc2n(n1)CCC2 ZINC000414065913 1084420167 /nfs/dbraw/zinc/42/01/67/1084420167.db2.gz HNLKTYYVVTZAMQ-OTWHNJEPSA-N 2 2 366.553 4.158 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1csc(-c2ccccc2)n1 ZINC000414074510 1084443022 /nfs/dbraw/zinc/44/30/22/1084443022.db2.gz WWWYQLGEJPEXLG-OAHLLOKOSA-N 2 2 352.507 4.236 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414114011 1084601062 /nfs/dbraw/zinc/60/10/62/1084601062.db2.gz LITYFVBCALQJAX-MJGOQNOKSA-N 2 2 364.961 4.455 20 0 FIADLP CC(C)(C)n1cc(C[NH2+]CCCn2cc[nH+]c2)c(-c2ccccc2Cl)n1 ZINC000066586637 1084714630 /nfs/dbraw/zinc/71/46/30/1084714630.db2.gz CCTNJSJUXAMKRQ-UHFFFAOYSA-N 2 2 371.916 4.335 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000657383048 1084821857 /nfs/dbraw/zinc/82/18/57/1084821857.db2.gz VAOJDTZAOXOUAO-HNNXBMFYSA-N 2 2 351.425 4.403 20 0 FIADLP COCc1csc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000657414402 1084955133 /nfs/dbraw/zinc/95/51/33/1084955133.db2.gz ODFBRLGAMRDPBK-FQEVSTJZSA-N 2 2 355.507 4.239 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000132737042 1085016389 /nfs/dbraw/zinc/01/63/89/1085016389.db2.gz WYNZUMZLTDMZTC-UZLBHIALSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000132737042 1085016397 /nfs/dbraw/zinc/01/63/97/1085016397.db2.gz WYNZUMZLTDMZTC-UZLBHIALSA-N 2 2 351.519 4.297 20 0 FIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000117950780 1085506085 /nfs/dbraw/zinc/50/60/85/1085506085.db2.gz JILYMFZGPHSKCA-APWZRJJASA-N 2 2 363.427 4.273 20 0 FIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000117950780 1085506092 /nfs/dbraw/zinc/50/60/92/1085506092.db2.gz JILYMFZGPHSKCA-APWZRJJASA-N 2 2 363.427 4.273 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)cn1 ZINC000178412914 1085540132 /nfs/dbraw/zinc/54/01/32/1085540132.db2.gz GYFVAPKXEHZZST-QGZVFWFLSA-N 2 2 354.454 4.042 20 0 FIADLP CC(C)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1F ZINC000661484991 1085599074 /nfs/dbraw/zinc/59/90/74/1085599074.db2.gz NTDMJEGOZOZWIY-JOCHJYFZSA-N 2 2 356.485 4.145 20 0 FIADLP COc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(Cl)c1 ZINC000657650185 1085758485 /nfs/dbraw/zinc/75/84/85/1085758485.db2.gz ZTKOJPSZNHISLD-IBGZPJMESA-N 2 2 355.869 4.156 20 0 FIADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000661786975 1085822528 /nfs/dbraw/zinc/82/25/28/1085822528.db2.gz FVZPAFMRLXDPEY-LJQANCHMSA-N 2 2 357.910 4.325 20 0 FIADLP Cn1c[nH+]cc1CC[N@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000661786975 1085822537 /nfs/dbraw/zinc/82/25/37/1085822537.db2.gz FVZPAFMRLXDPEY-LJQANCHMSA-N 2 2 357.910 4.325 20 0 FIADLP C[C@H]([NH2+]Cc1cscc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511913431 1085958090 /nfs/dbraw/zinc/95/80/90/1085958090.db2.gz ZQUGDWRAKPJNCE-QWHCGFSZSA-N 2 2 357.361 4.253 20 0 FIADLP C[C@H]([NH2+]Cc1cscc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511913431 1085958091 /nfs/dbraw/zinc/95/80/91/1085958091.db2.gz ZQUGDWRAKPJNCE-QWHCGFSZSA-N 2 2 357.361 4.253 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cnc2ccsc2c1 ZINC000153670634 1086035136 /nfs/dbraw/zinc/03/51/36/1086035136.db2.gz ZJNIAALLNSTKEB-CYBMUJFWSA-N 2 2 352.438 4.472 20 0 FIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)[C@H]1c1cccs1 ZINC000249428114 1086190975 /nfs/dbraw/zinc/19/09/75/1086190975.db2.gz ICXPTVFVOPGUFG-SGTLLEGYSA-N 2 2 368.905 4.419 20 0 FIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)[C@H]1c1cccs1 ZINC000249428114 1086190978 /nfs/dbraw/zinc/19/09/78/1086190978.db2.gz ICXPTVFVOPGUFG-SGTLLEGYSA-N 2 2 368.905 4.419 20 0 FIADLP C[C@H]1[N@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)CCOC1(C)C ZINC001167658499 1086378168 /nfs/dbraw/zinc/37/81/68/1086378168.db2.gz IRCLDYZTTOHDDF-OFNKIYASSA-N 2 2 366.549 4.402 20 0 FIADLP C[C@H]1[N@@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)CCOC1(C)C ZINC001167658499 1086378178 /nfs/dbraw/zinc/37/81/78/1086378178.db2.gz IRCLDYZTTOHDDF-OFNKIYASSA-N 2 2 366.549 4.402 20 0 FIADLP C[C@H]1[NH+](C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CCOC1(C)C ZINC001167658499 1086378191 /nfs/dbraw/zinc/37/81/91/1086378191.db2.gz IRCLDYZTTOHDDF-OFNKIYASSA-N 2 2 366.549 4.402 20 0 FIADLP C[C@H]1[NH+](C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CCOC1(C)C ZINC001167658499 1086378204 /nfs/dbraw/zinc/37/82/04/1086378204.db2.gz IRCLDYZTTOHDDF-OFNKIYASSA-N 2 2 366.549 4.402 20 0 FIADLP Fc1ccc(-c2nc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cs2)cc1 ZINC000663347281 1086447937 /nfs/dbraw/zinc/44/79/37/1086447937.db2.gz IUWLIPQIECHWGP-INIZCTEOSA-N 2 2 359.514 4.161 20 0 FIADLP Fc1ccc(-c2nc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cs2)cc1 ZINC000663347281 1086447941 /nfs/dbraw/zinc/44/79/41/1086447941.db2.gz IUWLIPQIECHWGP-INIZCTEOSA-N 2 2 359.514 4.161 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000165550897 1086537101 /nfs/dbraw/zinc/53/71/01/1086537101.db2.gz LYBXJEPTPYGUER-WMZHIEFXSA-N 3 2 374.532 4.171 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000165550897 1086537108 /nfs/dbraw/zinc/53/71/08/1086537108.db2.gz LYBXJEPTPYGUER-WMZHIEFXSA-N 3 2 374.532 4.171 20 0 FIADLP Brc1ccc(Oc2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204667838 1086624323 /nfs/dbraw/zinc/62/43/23/1086624323.db2.gz OQKOOEGNUZLYKX-UHFFFAOYSA-N 2 2 361.283 4.037 20 0 FIADLP Brc1ccc(Oc2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204667838 1086624328 /nfs/dbraw/zinc/62/43/28/1086624328.db2.gz OQKOOEGNUZLYKX-UHFFFAOYSA-N 2 2 361.283 4.037 20 0 FIADLP CC[NH+](CC)CCC[C@H](C)[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001167834491 1086682528 /nfs/dbraw/zinc/68/25/28/1086682528.db2.gz KPSZLRLRRFLATI-IBGZPJMESA-N 3 2 363.565 4.232 20 0 FIADLP CC[NH+](CC)CCC[C@H](C)[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001167834491 1086682529 /nfs/dbraw/zinc/68/25/29/1086682529.db2.gz KPSZLRLRRFLATI-IBGZPJMESA-N 3 2 363.565 4.232 20 0 FIADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)C)C1 ZINC000236822865 1086699096 /nfs/dbraw/zinc/69/90/96/1086699096.db2.gz YMERYABXQNDNHO-INIZCTEOSA-N 2 2 360.933 4.081 20 0 FIADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)C)C1 ZINC000236822865 1086699101 /nfs/dbraw/zinc/69/91/01/1086699101.db2.gz YMERYABXQNDNHO-INIZCTEOSA-N 2 2 360.933 4.081 20 0 FIADLP Cc1cc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)sc1Br ZINC000512084587 1086751202 /nfs/dbraw/zinc/75/12/02/1086751202.db2.gz PZEKOSDYUOIQOA-LBPRGKRZSA-N 2 2 368.344 4.245 20 0 FIADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512087985 1086752762 /nfs/dbraw/zinc/75/27/62/1086752762.db2.gz MQEWTFLJUNPUFE-ZDUSSCGKSA-N 2 2 372.563 4.487 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)s1 ZINC000512143959 1086826509 /nfs/dbraw/zinc/82/65/09/1086826509.db2.gz ABJJBNDVWRUSID-UHFFFAOYSA-N 2 2 367.518 4.074 20 0 FIADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(OC)c(OC)c1 ZINC000151328041 1087089318 /nfs/dbraw/zinc/08/93/18/1087089318.db2.gz NGHAECXBVABEBC-FQEVSTJZSA-N 2 2 365.477 4.190 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(C(F)F)nc1 ZINC000657832248 1087197872 /nfs/dbraw/zinc/19/78/72/1087197872.db2.gz BCAOROOLADADKL-INIZCTEOSA-N 2 2 359.464 4.377 20 0 FIADLP CC[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)OCCO2 ZINC000151678465 1087200060 /nfs/dbraw/zinc/20/00/60/1087200060.db2.gz DBXTVHBGGDEMCU-OXJNMPFZSA-N 2 2 363.461 4.445 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)OCCCO2 ZINC000151685204 1087204892 /nfs/dbraw/zinc/20/48/92/1087204892.db2.gz DRSRFOJNNJXAKP-DLBZAZTESA-N 2 2 363.461 4.445 20 0 FIADLP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080961760 1087289245 /nfs/dbraw/zinc/28/92/45/1087289245.db2.gz HKWBASOPMJMUDV-IBGZPJMESA-N 2 2 360.461 4.042 20 0 FIADLP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080961760 1087289254 /nfs/dbraw/zinc/28/92/54/1087289254.db2.gz HKWBASOPMJMUDV-IBGZPJMESA-N 2 2 360.461 4.042 20 0 FIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2Oc2cccnc2)C1 ZINC000081635511 1087329965 /nfs/dbraw/zinc/32/99/65/1087329965.db2.gz ZMOHRFAUCAASDT-IBGZPJMESA-N 2 2 351.494 4.038 20 0 FIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2Oc2cccnc2)C1 ZINC000081635511 1087329969 /nfs/dbraw/zinc/32/99/69/1087329969.db2.gz ZMOHRFAUCAASDT-IBGZPJMESA-N 2 2 351.494 4.038 20 0 FIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000081635511 1087329975 /nfs/dbraw/zinc/32/99/75/1087329975.db2.gz ZMOHRFAUCAASDT-IBGZPJMESA-N 2 2 351.494 4.038 20 0 FIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000081635511 1087329983 /nfs/dbraw/zinc/32/99/83/1087329983.db2.gz ZMOHRFAUCAASDT-IBGZPJMESA-N 2 2 351.494 4.038 20 0 FIADLP c1ccc(N2CCC([NH2+]CCCO[C@H]3CCCc4ccccc43)CC2)[nH+]c1 ZINC000089721748 1087391811 /nfs/dbraw/zinc/39/18/11/1087391811.db2.gz RUOJZUUDHBVNGB-QFIPXVFZSA-N 2 2 365.521 4.124 20 0 FIADLP c1sc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1-c1ccccc1 ZINC000092066577 1087437463 /nfs/dbraw/zinc/43/74/63/1087437463.db2.gz RWZHNCHKTBMCCB-YLJYHZDGSA-N 2 2 353.535 4.259 20 0 FIADLP c1sc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1-c1ccccc1 ZINC000092066577 1087437465 /nfs/dbraw/zinc/43/74/65/1087437465.db2.gz RWZHNCHKTBMCCB-YLJYHZDGSA-N 2 2 353.535 4.259 20 0 FIADLP c1sc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1-c1ccccc1 ZINC000092066577 1087437469 /nfs/dbraw/zinc/43/74/69/1087437469.db2.gz RWZHNCHKTBMCCB-YLJYHZDGSA-N 2 2 353.535 4.259 20 0 FIADLP c1sc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1-c1ccccc1 ZINC000092066577 1087437470 /nfs/dbraw/zinc/43/74/70/1087437470.db2.gz RWZHNCHKTBMCCB-YLJYHZDGSA-N 2 2 353.535 4.259 20 0 FIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccsc2)cc1 ZINC000685451209 1087571540 /nfs/dbraw/zinc/57/15/40/1087571540.db2.gz FWVZDKBMRWZHQJ-UHFFFAOYSA-N 2 2 355.507 4.436 20 0 FIADLP Clc1ccccc1C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000685662275 1087668163 /nfs/dbraw/zinc/66/81/63/1087668163.db2.gz FQIDINNPHJAOFY-YLJYHZDGSA-N 2 2 351.881 4.494 20 0 FIADLP Cc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc(OC(F)(F)F)c1 ZINC001143471948 1087928001 /nfs/dbraw/zinc/92/80/01/1087928001.db2.gz NEJHYQITAKZHOW-UHFFFAOYSA-N 2 2 356.432 4.344 20 0 FIADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1)CC2 ZINC000423235622 1088076753 /nfs/dbraw/zinc/07/67/53/1088076753.db2.gz GSQCLFSZUWJBPK-WOJBJXKFSA-N 2 2 354.494 4.104 20 0 FIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000030909814 1088156847 /nfs/dbraw/zinc/15/68/47/1088156847.db2.gz VDZNMNJEGHZZFQ-ZDUSSCGKSA-N 2 2 360.255 4.084 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)Cc2c(Cl)cccc2Cl)CC1 ZINC000513832301 1088433475 /nfs/dbraw/zinc/43/34/75/1088433475.db2.gz HDUZJDJSAIXFAW-AWEZNQCLSA-N 2 2 373.368 4.403 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434477362 1088662164 /nfs/dbraw/zinc/66/21/64/1088662164.db2.gz OSQXLQMSPOHAMB-CQSZACIVSA-N 2 2 352.309 4.224 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434477362 1088662173 /nfs/dbraw/zinc/66/21/73/1088662173.db2.gz OSQXLQMSPOHAMB-CQSZACIVSA-N 2 2 352.309 4.224 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H](c3cccnc3)C3CCC3)C2)CC1 ZINC000376674099 1088821161 /nfs/dbraw/zinc/82/11/61/1088821161.db2.gz TZIKQYPCEARKFI-ACBHZAAOSA-N 2 2 367.459 4.318 20 0 FIADLP COc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1Cl ZINC000434676967 1088942572 /nfs/dbraw/zinc/94/25/72/1088942572.db2.gz UWRMEVAQRRBHHM-UHFFFAOYSA-N 2 2 359.901 4.261 20 0 FIADLP c1csc(-c2nc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)co2)c1 ZINC000434676153 1088943801 /nfs/dbraw/zinc/94/38/01/1088943801.db2.gz PIKSUUMBABLMTF-UHFFFAOYSA-N 2 2 368.506 4.316 20 0 FIADLP C[N@H+](CCc1c(F)cccc1Cl)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434739902 1089008421 /nfs/dbraw/zinc/00/84/21/1089008421.db2.gz ULCKHYBQOHTZPT-JXFKEZNVSA-N 2 2 361.892 4.041 20 0 FIADLP C[N@@H+](CCc1c(F)cccc1Cl)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434739902 1089008435 /nfs/dbraw/zinc/00/84/35/1089008435.db2.gz ULCKHYBQOHTZPT-JXFKEZNVSA-N 2 2 361.892 4.041 20 0 FIADLP C[NH+](CCc1c(F)cccc1Cl)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434739902 1089008449 /nfs/dbraw/zinc/00/84/49/1089008449.db2.gz ULCKHYBQOHTZPT-JXFKEZNVSA-N 2 2 361.892 4.041 20 0 FIADLP C[NH+](CCc1c(F)cccc1Cl)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434739902 1089008465 /nfs/dbraw/zinc/00/84/65/1089008465.db2.gz ULCKHYBQOHTZPT-JXFKEZNVSA-N 2 2 361.892 4.041 20 0 FIADLP Fc1ccc2oc(C[N@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)cc2c1 ZINC000435371950 1089581740 /nfs/dbraw/zinc/58/17/40/1089581740.db2.gz PDZKVNMESKXQBE-IBGZPJMESA-N 2 2 353.441 4.111 20 0 FIADLP Fc1ccc2oc(C[N@@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)cc2c1 ZINC000435371950 1089581751 /nfs/dbraw/zinc/58/17/51/1089581751.db2.gz PDZKVNMESKXQBE-IBGZPJMESA-N 2 2 353.441 4.111 20 0 FIADLP Cc1ncsc1C[N@@H+](Cc1cc2ccccc2s1)C[C@@H]1CC[NH2+]C1 ZINC000435426133 1089645923 /nfs/dbraw/zinc/64/59/23/1089645923.db2.gz GPPANXSETRYUHZ-OAHLLOKOSA-N 2 2 357.548 4.278 20 0 FIADLP Cc1ncsc1C[N@H+](Cc1cc2ccccc2s1)C[C@@H]1CC[NH2+]C1 ZINC000435426133 1089645935 /nfs/dbraw/zinc/64/59/35/1089645935.db2.gz GPPANXSETRYUHZ-OAHLLOKOSA-N 2 2 357.548 4.278 20 0 FIADLP Cc1ncsc1C[N@@H+](Cc1csc2ccccc12)C[C@H]1CC[NH2+]C1 ZINC000435442140 1089666582 /nfs/dbraw/zinc/66/65/82/1089666582.db2.gz GXOYFIRIHONBLN-HNNXBMFYSA-N 2 2 357.548 4.278 20 0 FIADLP Cc1ncsc1C[N@H+](Cc1csc2ccccc12)C[C@H]1CC[NH2+]C1 ZINC000435442140 1089666597 /nfs/dbraw/zinc/66/65/97/1089666597.db2.gz GXOYFIRIHONBLN-HNNXBMFYSA-N 2 2 357.548 4.278 20 0 FIADLP CCCCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182089471 1090040148 /nfs/dbraw/zinc/04/01/48/1090040148.db2.gz UGRDSIPREOEXBC-SFHVURJKSA-N 2 2 371.525 4.062 20 0 FIADLP CCCCOc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182089471 1090040154 /nfs/dbraw/zinc/04/01/54/1090040154.db2.gz UGRDSIPREOEXBC-SFHVURJKSA-N 2 2 371.525 4.062 20 0 FIADLP Cc1[nH+]cn(-c2ccc(NC(=O)C[C@H](c3ccccc3)[NH+](C)C)cc2)c1C ZINC000416232500 1090267528 /nfs/dbraw/zinc/26/75/28/1090267528.db2.gz FVSFDXNDZGNFMG-OAQYLSRUSA-N 2 2 362.477 4.121 20 0 FIADLP CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000545456775 1090382787 /nfs/dbraw/zinc/38/27/87/1090382787.db2.gz VECRCXMEBXUVMR-MGPUTAFESA-N 2 2 359.901 4.070 20 0 FIADLP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](Cc4cnc5ccccc5n4)CC[C@H]32)cc1 ZINC000660011630 1090405871 /nfs/dbraw/zinc/40/58/71/1090405871.db2.gz PRSOBPTZYYHOFW-GBXCKJPGSA-N 2 2 372.516 4.116 20 0 FIADLP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](Cc4cnc5ccccc5n4)CC[C@H]32)cc1 ZINC000660011630 1090405879 /nfs/dbraw/zinc/40/58/79/1090405879.db2.gz PRSOBPTZYYHOFW-GBXCKJPGSA-N 2 2 372.516 4.116 20 0 FIADLP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](Cc4cnc5ccccc5n4)CC[C@H]32)cc1 ZINC000660011630 1090405886 /nfs/dbraw/zinc/40/58/86/1090405886.db2.gz PRSOBPTZYYHOFW-GBXCKJPGSA-N 2 2 372.516 4.116 20 0 FIADLP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](Cc4cnc5ccccc5n4)CC[C@H]32)cc1 ZINC000660011630 1090405892 /nfs/dbraw/zinc/40/58/92/1090405892.db2.gz PRSOBPTZYYHOFW-GBXCKJPGSA-N 2 2 372.516 4.116 20 0 FIADLP C[NH+](C)CCCC1CC[NH+](Cc2ncc(Br)cc2Cl)CC1 ZINC000660158866 1090684065 /nfs/dbraw/zinc/68/40/65/1090684065.db2.gz QCDNBJMPDCUARF-UHFFFAOYSA-N 2 2 374.754 4.051 20 0 FIADLP Cc1cc(C)c(NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c(C)[nH+]1 ZINC000584762761 1090858769 /nfs/dbraw/zinc/85/87/69/1090858769.db2.gz HBSRVVGHVNMXHL-QGZVFWFLSA-N 2 2 360.889 4.085 20 0 FIADLP CCn1c[nH+]cc1CNc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000417999899 1091020012 /nfs/dbraw/zinc/02/00/12/1091020012.db2.gz WSGKRVHPCSCCLF-QFIPXVFZSA-N 2 2 370.541 4.295 20 0 FIADLP CCn1c[nH+]cc1CNc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000417999899 1091020019 /nfs/dbraw/zinc/02/00/19/1091020019.db2.gz WSGKRVHPCSCCLF-QFIPXVFZSA-N 2 2 370.541 4.295 20 0 FIADLP C[C@H]1C[C@H]([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000390519709 1091163295 /nfs/dbraw/zinc/16/32/95/1091163295.db2.gz FSMVHZYGHNLXAZ-XUZZJYLKSA-N 3 2 365.565 4.151 20 0 FIADLP C[C@H]1C[C@H]([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000390519709 1091163301 /nfs/dbraw/zinc/16/33/01/1091163301.db2.gz FSMVHZYGHNLXAZ-XUZZJYLKSA-N 3 2 365.565 4.151 20 0 FIADLP O[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc(Cl)c(F)c1 ZINC000759861204 1091348488 /nfs/dbraw/zinc/34/84/88/1091348488.db2.gz GGWOVKDVWXONDC-OXJNMPFZSA-N 2 2 368.924 4.101 20 0 FIADLP O[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc(Cl)c(F)c1 ZINC000759861204 1091348499 /nfs/dbraw/zinc/34/84/99/1091348499.db2.gz GGWOVKDVWXONDC-OXJNMPFZSA-N 2 2 368.924 4.101 20 0 FIADLP CC[N@H+](CCC1CCN(c2[nH+]ccc3c(N)cccc32)CC1)CC1CC1 ZINC000663769103 1091929971 /nfs/dbraw/zinc/92/99/71/1091929971.db2.gz QQRFGKRPPIQMLM-UHFFFAOYSA-N 2 2 352.526 4.155 20 0 FIADLP CC[N@@H+](CCC1CCN(c2[nH+]ccc3c(N)cccc32)CC1)CC1CC1 ZINC000663769103 1091929976 /nfs/dbraw/zinc/92/99/76/1091929976.db2.gz QQRFGKRPPIQMLM-UHFFFAOYSA-N 2 2 352.526 4.155 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000474026381 1092254690 /nfs/dbraw/zinc/25/46/90/1092254690.db2.gz DSTUOBUGUZNIOE-YLJYHZDGSA-N 2 2 364.489 4.442 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000474026381 1092254703 /nfs/dbraw/zinc/25/47/03/1092254703.db2.gz DSTUOBUGUZNIOE-YLJYHZDGSA-N 2 2 364.489 4.442 20 0 FIADLP CC[N@@H+](Cc1oc(C(C)C)nc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000428232004 1092273018 /nfs/dbraw/zinc/27/30/18/1092273018.db2.gz XSLWRBGNUCOAOE-UHFFFAOYSA-N 2 2 356.514 4.240 20 0 FIADLP CC[N@H+](Cc1oc(C(C)C)nc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000428232004 1092273028 /nfs/dbraw/zinc/27/30/28/1092273028.db2.gz XSLWRBGNUCOAOE-UHFFFAOYSA-N 2 2 356.514 4.240 20 0 FIADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000432812161 1092468331 /nfs/dbraw/zinc/46/83/31/1092468331.db2.gz HDFJQCZHQZGCBU-HNNXBMFYSA-N 2 2 355.507 4.472 20 0 FIADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000432812161 1092468338 /nfs/dbraw/zinc/46/83/38/1092468338.db2.gz HDFJQCZHQZGCBU-HNNXBMFYSA-N 2 2 355.507 4.472 20 0 FIADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC000442870273 1092818229 /nfs/dbraw/zinc/81/82/29/1092818229.db2.gz GBFRTWXXAHDIHI-GOSISDBHSA-N 2 2 357.542 4.342 20 0 FIADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)N(C)C ZINC000443002932 1092909953 /nfs/dbraw/zinc/90/99/53/1092909953.db2.gz UFDQOUPSAJYEOC-OXQOHEQNSA-N 2 2 354.523 4.023 20 0 FIADLP Fc1ccccc1COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000521816959 1092936071 /nfs/dbraw/zinc/93/60/71/1092936071.db2.gz OZBIDWJWLZENKI-FGZHOGPDSA-N 2 2 354.469 4.121 20 0 FIADLP Fc1ccccc1COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000521816959 1092936074 /nfs/dbraw/zinc/93/60/74/1092936074.db2.gz OZBIDWJWLZENKI-FGZHOGPDSA-N 2 2 354.469 4.121 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CCC(F)(F)CC1 ZINC000474073819 1093188597 /nfs/dbraw/zinc/18/85/97/1093188597.db2.gz PKKFIISLUWYLJI-HZPDHXFCSA-N 2 2 351.485 4.411 20 0 FIADLP Brc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152222513 1093200095 /nfs/dbraw/zinc/20/00/95/1093200095.db2.gz IOCODLDOXCSKSJ-GOSISDBHSA-N 2 2 368.278 4.412 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000433104438 1093257441 /nfs/dbraw/zinc/25/74/41/1093257441.db2.gz XDHODNQTFDZTRJ-UXHICEINSA-N 2 2 360.505 4.440 20 0 FIADLP CCCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1OC ZINC000522284016 1093277090 /nfs/dbraw/zinc/27/70/90/1093277090.db2.gz WIUSWEYMGPMCFD-OAQYLSRUSA-N 2 2 368.521 4.238 20 0 FIADLP CCCOc1cc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1OC ZINC000522284016 1093277093 /nfs/dbraw/zinc/27/70/93/1093277093.db2.gz WIUSWEYMGPMCFD-OAQYLSRUSA-N 2 2 368.521 4.238 20 0 FIADLP CCc1ccc([C@@H](COC)[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000411518797 1093349943 /nfs/dbraw/zinc/34/99/43/1093349943.db2.gz QGMWRWXTNROHMY-OAQYLSRUSA-N 2 2 356.510 4.305 20 0 FIADLP Cc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000443634868 1093352215 /nfs/dbraw/zinc/35/22/15/1093352215.db2.gz UIJNIEMIFWHURR-UHFFFAOYSA-N 2 2 372.944 4.410 20 0 FIADLP Cc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000443634868 1093352221 /nfs/dbraw/zinc/35/22/21/1093352221.db2.gz UIJNIEMIFWHURR-UHFFFAOYSA-N 2 2 372.944 4.410 20 0 FIADLP Cc1cc(C)cc(OCCC[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000411579890 1093374088 /nfs/dbraw/zinc/37/40/88/1093374088.db2.gz FGKMGHGQFQTXFT-GMAHTHKFSA-N 2 2 367.537 4.092 20 0 FIADLP Cc1cc(C)cc(OCCC[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000411579890 1093374098 /nfs/dbraw/zinc/37/40/98/1093374098.db2.gz FGKMGHGQFQTXFT-GMAHTHKFSA-N 2 2 367.537 4.092 20 0 FIADLP Cc1cc(C)cc(OCCC[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000411579890 1093374107 /nfs/dbraw/zinc/37/41/07/1093374107.db2.gz FGKMGHGQFQTXFT-GMAHTHKFSA-N 2 2 367.537 4.092 20 0 FIADLP Cc1cc(C)cc(OCCC[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000411579890 1093374114 /nfs/dbraw/zinc/37/41/14/1093374114.db2.gz FGKMGHGQFQTXFT-GMAHTHKFSA-N 2 2 367.537 4.092 20 0 FIADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)n2)cc1F ZINC000247537631 1093384521 /nfs/dbraw/zinc/38/45/21/1093384521.db2.gz JUUOIPUNNAHKHV-RVKKMQEKSA-N 2 2 369.444 4.025 20 0 FIADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)n2)cc1F ZINC000247537631 1093384529 /nfs/dbraw/zinc/38/45/29/1093384529.db2.gz JUUOIPUNNAHKHV-RVKKMQEKSA-N 2 2 369.444 4.025 20 0 FIADLP C[C@H]1CC([NH2+]Cc2nn(C)c3ccccc23)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168025215 1093426832 /nfs/dbraw/zinc/42/68/32/1093426832.db2.gz IZGOLFPLACCTGC-ROUUACIJSA-N 2 2 362.521 4.105 20 0 FIADLP CC(C)[C@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000474157671 1093504574 /nfs/dbraw/zinc/50/45/74/1093504574.db2.gz IPMQUONJNCNBQE-DEOSSOPVSA-N 2 2 365.565 4.460 20 0 FIADLP CC(C)[C@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000474157671 1093504579 /nfs/dbraw/zinc/50/45/79/1093504579.db2.gz IPMQUONJNCNBQE-DEOSSOPVSA-N 2 2 365.565 4.460 20 0 FIADLP CCc1cccc(Cl)c1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000473488575 1093583292 /nfs/dbraw/zinc/58/32/92/1093583292.db2.gz OEYTZLHBLVDBPC-UHFFFAOYSA-N 2 2 372.944 4.440 20 0 FIADLP Cc1ccccc1-n1nccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000474279916 1093651581 /nfs/dbraw/zinc/65/15/81/1093651581.db2.gz YWAOMGRDEQFVQP-QFIPXVFZSA-N 2 2 374.532 4.135 20 0 FIADLP Cc1ccccc1-n1nccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000474279916 1093651586 /nfs/dbraw/zinc/65/15/86/1093651586.db2.gz YWAOMGRDEQFVQP-QFIPXVFZSA-N 2 2 374.532 4.135 20 0 FIADLP Cc1ccccc1-n1nccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474279916 1093651592 /nfs/dbraw/zinc/65/15/92/1093651592.db2.gz YWAOMGRDEQFVQP-QFIPXVFZSA-N 2 2 374.532 4.135 20 0 FIADLP Cc1ccccc1-n1nccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474279916 1093651599 /nfs/dbraw/zinc/65/15/99/1093651599.db2.gz YWAOMGRDEQFVQP-QFIPXVFZSA-N 2 2 374.532 4.135 20 0 FIADLP CCOc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc(Cl)c1O ZINC000895707547 1093677915 /nfs/dbraw/zinc/67/79/15/1093677915.db2.gz SXMQCUMSNPMLCB-GOSISDBHSA-N 2 2 371.868 4.172 20 0 FIADLP CCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168034641 1093750025 /nfs/dbraw/zinc/75/00/25/1093750025.db2.gz QZOMYTSYSQLASW-RMFSNUHRSA-N 2 2 353.510 4.012 20 0 FIADLP CCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168034641 1093750034 /nfs/dbraw/zinc/75/00/34/1093750034.db2.gz QZOMYTSYSQLASW-RMFSNUHRSA-N 2 2 353.510 4.012 20 0 FIADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000513081388 1093783538 /nfs/dbraw/zinc/78/35/38/1093783538.db2.gz GAZJIVBWSXZMOZ-JRGCBEDISA-N 2 2 367.518 4.375 20 0 FIADLP COc1ccccc1/C=C\C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513483037 1094149706 /nfs/dbraw/zinc/14/97/06/1094149706.db2.gz AOOOOVZRCQCTQA-WQLSENKSSA-N 2 2 350.506 4.305 20 0 FIADLP COc1ccccc1/C=C\C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513483037 1094149710 /nfs/dbraw/zinc/14/97/10/1094149710.db2.gz AOOOOVZRCQCTQA-WQLSENKSSA-N 2 2 350.506 4.305 20 0 FIADLP c1ccc(C[NH+]2CCC([NH2+][C@H](Cc3ccccn3)c3cccnc3)CC2)cc1 ZINC000513500334 1094172874 /nfs/dbraw/zinc/17/28/74/1094172874.db2.gz LZPXMPOPSDWZOJ-XMMPIXPASA-N 2 2 372.516 4.015 20 0 FIADLP C[C@@H]1CC([NH2+][C@H](CO)c2ccccc2Cl)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168036612 1094294726 /nfs/dbraw/zinc/29/47/26/1094294726.db2.gz VIXZYQONZYWNSD-DRSNIGMVSA-N 2 2 372.940 4.405 20 0 FIADLP c1ccc(-c2nc3ccccn3c2C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000116367209 1094466792 /nfs/dbraw/zinc/46/67/92/1094466792.db2.gz BDXLTCKSSFANMD-UHFFFAOYSA-N 2 2 374.532 4.452 20 0 FIADLP CC1(C)CC([NH2+]Cc2c(F)ccc(Br)c2F)CC(C)(C)[NH2+]1 ZINC000501422805 1094702498 /nfs/dbraw/zinc/70/24/98/1094702498.db2.gz OLCURKNLGXWZJV-UHFFFAOYSA-N 2 2 361.274 4.126 20 0 FIADLP Cc1ncsc1C[N@@H+](Cc1cccc(C(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC000420314237 1094877133 /nfs/dbraw/zinc/87/71/33/1094877133.db2.gz QJZYINQIEIIUPD-OAHLLOKOSA-N 2 2 351.466 4.001 20 0 FIADLP Cc1ncsc1C[N@H+](Cc1cccc(C(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC000420314237 1094877150 /nfs/dbraw/zinc/87/71/50/1094877150.db2.gz QJZYINQIEIIUPD-OAHLLOKOSA-N 2 2 351.466 4.001 20 0 FIADLP CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000443849779 1095104567 /nfs/dbraw/zinc/10/45/67/1095104567.db2.gz DQWMZMYQOVGISA-UHFFFAOYSA-N 2 2 368.550 4.413 20 0 FIADLP CC[N@H+](Cc1c[nH]c2ccccc12)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000443849779 1095104577 /nfs/dbraw/zinc/10/45/77/1095104577.db2.gz DQWMZMYQOVGISA-UHFFFAOYSA-N 2 2 368.550 4.413 20 0 FIADLP CC[NH+](Cc1c[nH]c2ccccc12)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000443849779 1095104587 /nfs/dbraw/zinc/10/45/87/1095104587.db2.gz DQWMZMYQOVGISA-UHFFFAOYSA-N 2 2 368.550 4.413 20 0 FIADLP CC[NH+](Cc1c[nH]c2ccccc12)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000443849779 1095104596 /nfs/dbraw/zinc/10/45/96/1095104596.db2.gz DQWMZMYQOVGISA-UHFFFAOYSA-N 2 2 368.550 4.413 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@@H]2C(C)=CCC[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000443855048 1095110967 /nfs/dbraw/zinc/11/09/67/1095110967.db2.gz PEBUTDWSJCTVJG-NPDDRXJXSA-N 2 2 358.574 4.117 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@@H]2C(C)=CCC[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000443855048 1095110977 /nfs/dbraw/zinc/11/09/77/1095110977.db2.gz PEBUTDWSJCTVJG-NPDDRXJXSA-N 2 2 358.574 4.117 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@@H]2C(C)=CCC[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000443855048 1095110980 /nfs/dbraw/zinc/11/09/80/1095110980.db2.gz PEBUTDWSJCTVJG-NPDDRXJXSA-N 2 2 358.574 4.117 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@@H]2C(C)=CCC[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000443855048 1095110982 /nfs/dbraw/zinc/11/09/82/1095110982.db2.gz PEBUTDWSJCTVJG-NPDDRXJXSA-N 2 2 358.574 4.117 20 0 FIADLP CC(C)[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1F ZINC000420948977 1095190219 /nfs/dbraw/zinc/19/02/19/1095190219.db2.gz QBZQUHZWDJLLQM-QFIPXVFZSA-N 2 2 374.475 4.284 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C2CC2)cc1 ZINC000420973485 1095218448 /nfs/dbraw/zinc/21/84/48/1095218448.db2.gz NHVXMUAUJBPROL-SFHVURJKSA-N 2 2 350.506 4.247 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc(OCC4CC4)cc3)C2)n2c1CCCC2 ZINC000502324080 1095349921 /nfs/dbraw/zinc/34/99/21/1095349921.db2.gz AGGMBEROILZSFM-HXUWFJFHSA-N 2 2 365.521 4.388 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3ccc(OCC4CC4)cc3)C2)n2c1CCCC2 ZINC000502324080 1095349948 /nfs/dbraw/zinc/34/99/48/1095349948.db2.gz AGGMBEROILZSFM-HXUWFJFHSA-N 2 2 365.521 4.388 20 0 FIADLP Fc1cccc2[nH]c(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc21 ZINC000502326737 1095363327 /nfs/dbraw/zinc/36/33/27/1095363327.db2.gz ORSOHVROHRSPIV-HNNXBMFYSA-N 2 2 352.457 4.219 20 0 FIADLP Fc1cccc2[nH]c(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc21 ZINC000502326737 1095363340 /nfs/dbraw/zinc/36/33/40/1095363340.db2.gz ORSOHVROHRSPIV-HNNXBMFYSA-N 2 2 352.457 4.219 20 0 FIADLP c1nc(C2CCC2)sc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502330803 1095368388 /nfs/dbraw/zinc/36/83/88/1095368388.db2.gz HBMCAOSXZQIQHU-MRXNPFEDSA-N 2 2 356.539 4.323 20 0 FIADLP c1nc(C2CCC2)sc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502330803 1095368403 /nfs/dbraw/zinc/36/84/03/1095368403.db2.gz HBMCAOSXZQIQHU-MRXNPFEDSA-N 2 2 356.539 4.323 20 0 FIADLP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000502345115 1095383252 /nfs/dbraw/zinc/38/32/52/1095383252.db2.gz KKBQRSCHYAWRBQ-HNNXBMFYSA-N 2 2 358.555 4.353 20 0 FIADLP CC(C)(C)c1ncc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000502345115 1095383264 /nfs/dbraw/zinc/38/32/64/1095383264.db2.gz KKBQRSCHYAWRBQ-HNNXBMFYSA-N 2 2 358.555 4.353 20 0 FIADLP Fc1ccc2cc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)[nH]c2c1 ZINC000502346651 1095385351 /nfs/dbraw/zinc/38/53/51/1095385351.db2.gz QHKKUGSHLPDGIU-INIZCTEOSA-N 2 2 352.457 4.219 20 0 FIADLP Fc1ccc2cc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)[nH]c2c1 ZINC000502346651 1095385363 /nfs/dbraw/zinc/38/53/63/1095385363.db2.gz QHKKUGSHLPDGIU-INIZCTEOSA-N 2 2 352.457 4.219 20 0 FIADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000237235927 1095720703 /nfs/dbraw/zinc/72/07/03/1095720703.db2.gz NHDKWFPHZQSOPK-UHFFFAOYSA-N 2 2 364.320 4.035 20 0 FIADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)nn1C ZINC000502707061 1095732883 /nfs/dbraw/zinc/73/28/83/1095732883.db2.gz JXZYBOSBXHGATB-LMMKCTJWSA-N 2 2 354.542 4.057 20 0 FIADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444211330 1095856858 /nfs/dbraw/zinc/85/68/58/1095856858.db2.gz JTGIMTIXVOMFME-CVEARBPZSA-N 2 2 351.332 4.318 20 0 FIADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444211330 1095856873 /nfs/dbraw/zinc/85/68/73/1095856873.db2.gz JTGIMTIXVOMFME-CVEARBPZSA-N 2 2 351.332 4.318 20 0 FIADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)c1ccccc1-n1ccnn1)c1ccccc1 ZINC000513761436 1095957454 /nfs/dbraw/zinc/95/74/54/1095957454.db2.gz NBHZVVHLUVECJV-GCJKJVERSA-N 2 2 363.509 4.001 20 0 FIADLP Fc1ccc(OCCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503380190 1096380526 /nfs/dbraw/zinc/38/05/26/1096380526.db2.gz YOJFCUZRDIKETQ-KRWDZBQOSA-N 2 2 357.473 4.007 20 0 FIADLP Fc1ccc(OCCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503380190 1096380533 /nfs/dbraw/zinc/38/05/33/1096380533.db2.gz YOJFCUZRDIKETQ-KRWDZBQOSA-N 2 2 357.473 4.007 20 0 FIADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503381723 1096381206 /nfs/dbraw/zinc/38/12/06/1096381206.db2.gz FGAOIAVSDQUHBX-MRXNPFEDSA-N 2 2 359.901 4.261 20 0 FIADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503381723 1096381215 /nfs/dbraw/zinc/38/12/15/1096381215.db2.gz FGAOIAVSDQUHBX-MRXNPFEDSA-N 2 2 359.901 4.261 20 0 FIADLP c1cc(-c2nc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cs2)co1 ZINC000503414606 1096391902 /nfs/dbraw/zinc/39/19/02/1096391902.db2.gz FWRQSFOPULPSSQ-OAHLLOKOSA-N 2 2 368.506 4.316 20 0 FIADLP c1cc(-c2nc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cs2)co1 ZINC000503414606 1096391906 /nfs/dbraw/zinc/39/19/06/1096391906.db2.gz FWRQSFOPULPSSQ-OAHLLOKOSA-N 2 2 368.506 4.316 20 0 FIADLP COc1ccccc1CCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503416541 1096392417 /nfs/dbraw/zinc/39/24/17/1096392417.db2.gz RASCROLILNEZOD-LJQANCHMSA-N 2 2 353.510 4.040 20 0 FIADLP COc1ccccc1CCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503416541 1096392426 /nfs/dbraw/zinc/39/24/26/1096392426.db2.gz RASCROLILNEZOD-LJQANCHMSA-N 2 2 353.510 4.040 20 0 FIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422747206 1096480364 /nfs/dbraw/zinc/48/03/64/1096480364.db2.gz PMCLBCJLKAMUGC-YJSIEXFISA-N 3 2 355.570 4.112 20 0 FIADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000422804676 1096495087 /nfs/dbraw/zinc/49/50/87/1096495087.db2.gz IDIHNZJSXUGMIP-MLGOLLRUSA-N 2 2 369.456 4.307 20 0 FIADLP Cc1nc(-c2ccc(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)o2)cs1 ZINC000422948910 1096537156 /nfs/dbraw/zinc/53/71/56/1096537156.db2.gz SEIDWAUPPFTVPF-SJLPKXTDSA-N 2 2 353.491 4.294 20 0 FIADLP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)s1 ZINC000423574767 1096724350 /nfs/dbraw/zinc/72/43/50/1096724350.db2.gz PPHNTDWOTFGVTK-OAHLLOKOSA-N 2 2 363.958 4.046 20 0 FIADLP CN1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000514694954 1098560319 /nfs/dbraw/zinc/56/03/19/1098560319.db2.gz UEMSTECGPXJRKX-NHCUHLMSSA-N 2 2 366.896 4.061 20 0 FIADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000533025542 1098678346 /nfs/dbraw/zinc/67/83/46/1098678346.db2.gz MLSQFAPWYVRILN-QAPCUYQASA-N 2 2 361.942 4.380 20 0 FIADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000533025542 1098678352 /nfs/dbraw/zinc/67/83/52/1098678352.db2.gz MLSQFAPWYVRILN-QAPCUYQASA-N 2 2 361.942 4.380 20 0 FIADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000533025542 1098678357 /nfs/dbraw/zinc/67/83/57/1098678357.db2.gz MLSQFAPWYVRILN-QAPCUYQASA-N 2 2 361.942 4.380 20 0 FIADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000533025542 1098678364 /nfs/dbraw/zinc/67/83/64/1098678364.db2.gz MLSQFAPWYVRILN-QAPCUYQASA-N 2 2 361.942 4.380 20 0 FIADLP C[C@]1(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CCC[N@@H+]1Cc1ccccc1 ZINC000436404000 1098992898 /nfs/dbraw/zinc/99/28/98/1098992898.db2.gz AZBFNQBWVJFICW-OAQYLSRUSA-N 2 2 366.534 4.283 20 0 FIADLP C[C@]1(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CCC[N@H+]1Cc1ccccc1 ZINC000436404000 1098992904 /nfs/dbraw/zinc/99/29/04/1098992904.db2.gz AZBFNQBWVJFICW-OAQYLSRUSA-N 2 2 366.534 4.283 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c(C)[nH+]1 ZINC000455474758 1099245159 /nfs/dbraw/zinc/24/51/59/1099245159.db2.gz DAPCNDTZGMRRBS-GOSISDBHSA-N 2 2 366.509 4.135 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c(C)[nH+]1 ZINC000455474758 1099245165 /nfs/dbraw/zinc/24/51/65/1099245165.db2.gz DAPCNDTZGMRRBS-GOSISDBHSA-N 2 2 366.509 4.135 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c(C)[nH+]1 ZINC000455524489 1099301069 /nfs/dbraw/zinc/30/10/69/1099301069.db2.gz OLGAGWKKDQQMAO-PXNSSMCTSA-N 2 2 354.498 4.128 20 0 FIADLP CC(C)CCn1cccc1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000161612541 1099509318 /nfs/dbraw/zinc/50/93/18/1099509318.db2.gz DUIJDNJQYBWKOV-UHFFFAOYSA-N 2 2 350.510 4.111 20 0 FIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000437132515 1099628902 /nfs/dbraw/zinc/62/89/02/1099628902.db2.gz IPZHHBXXAVOBGE-HXUWFJFHSA-N 2 2 352.526 4.013 20 0 FIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000437132515 1099628912 /nfs/dbraw/zinc/62/89/12/1099628912.db2.gz IPZHHBXXAVOBGE-HXUWFJFHSA-N 2 2 352.526 4.013 20 0 FIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000437132515 1099628917 /nfs/dbraw/zinc/62/89/17/1099628917.db2.gz IPZHHBXXAVOBGE-HXUWFJFHSA-N 2 2 352.526 4.013 20 0 FIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000437132515 1099628927 /nfs/dbraw/zinc/62/89/27/1099628927.db2.gz IPZHHBXXAVOBGE-HXUWFJFHSA-N 2 2 352.526 4.013 20 0 FIADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000437137963 1099636408 /nfs/dbraw/zinc/63/64/08/1099636408.db2.gz VHSHGQKJDGYGBY-OAQYLSRUSA-N 2 2 364.537 4.013 20 0 FIADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000437137963 1099636417 /nfs/dbraw/zinc/63/64/17/1099636417.db2.gz VHSHGQKJDGYGBY-OAQYLSRUSA-N 2 2 364.537 4.013 20 0 FIADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000437137963 1099636433 /nfs/dbraw/zinc/63/64/33/1099636433.db2.gz VHSHGQKJDGYGBY-OAQYLSRUSA-N 2 2 364.537 4.013 20 0 FIADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000437137963 1099636437 /nfs/dbraw/zinc/63/64/37/1099636437.db2.gz VHSHGQKJDGYGBY-OAQYLSRUSA-N 2 2 364.537 4.013 20 0 FIADLP Cc1ccc(-n2cc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000536660720 1100132261 /nfs/dbraw/zinc/13/22/61/1100132261.db2.gz ONEODQFOXJICCA-WIYYLYMNSA-N 2 2 368.569 4.393 20 0 FIADLP Cc1ccc(-n2cc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000536660720 1100132278 /nfs/dbraw/zinc/13/22/78/1100132278.db2.gz ONEODQFOXJICCA-WIYYLYMNSA-N 2 2 368.569 4.393 20 0 FIADLP Cc1ccc(-n2cc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000536660720 1100132288 /nfs/dbraw/zinc/13/22/88/1100132288.db2.gz ONEODQFOXJICCA-WIYYLYMNSA-N 2 2 368.569 4.393 20 0 FIADLP Cc1ccc(-n2cc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000536660720 1100132297 /nfs/dbraw/zinc/13/22/97/1100132297.db2.gz ONEODQFOXJICCA-WIYYLYMNSA-N 2 2 368.569 4.393 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)CC2=Cc3ccccc3OC2)CC[N@@H+]1Cc1ccccc1 ZINC000536675521 1100163164 /nfs/dbraw/zinc/16/31/64/1100163164.db2.gz TWHPZIBNAHMIRK-WMZHIEFXSA-N 2 2 362.517 4.447 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)CC2=Cc3ccccc3OC2)CC[N@H+]1Cc1ccccc1 ZINC000536675521 1100163167 /nfs/dbraw/zinc/16/31/67/1100163167.db2.gz TWHPZIBNAHMIRK-WMZHIEFXSA-N 2 2 362.517 4.447 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)CC2=Cc3ccccc3OC2)CC[NH+]1Cc1ccccc1 ZINC000536675521 1100163173 /nfs/dbraw/zinc/16/31/73/1100163173.db2.gz TWHPZIBNAHMIRK-WMZHIEFXSA-N 2 2 362.517 4.447 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)CC2=Cc3ccccc3OC2)CC[NH+]1Cc1ccccc1 ZINC000536675521 1100163177 /nfs/dbraw/zinc/16/31/77/1100163177.db2.gz TWHPZIBNAHMIRK-WMZHIEFXSA-N 2 2 362.517 4.447 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]CCc3cccc(Cl)c3)C2)CC1 ZINC000459536494 1100267587 /nfs/dbraw/zinc/26/75/87/1100267587.db2.gz XECNSEOVZJCISV-UHFFFAOYSA-N 2 2 360.851 4.277 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000536860851 1100378522 /nfs/dbraw/zinc/37/85/22/1100378522.db2.gz AMANJCXCVQNZAW-WIYYLYMNSA-N 2 2 355.551 4.064 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000536860851 1100378531 /nfs/dbraw/zinc/37/85/31/1100378531.db2.gz AMANJCXCVQNZAW-WIYYLYMNSA-N 2 2 355.551 4.064 20 0 FIADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](C)c2nc3c(s2)CCC3)CC1 ZINC000459643476 1100383680 /nfs/dbraw/zinc/38/36/80/1100383680.db2.gz CRWODCNDUVXGDR-IAGOWNOFSA-N 2 2 369.578 4.378 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425948371 1100422452 /nfs/dbraw/zinc/42/24/52/1100422452.db2.gz AKOPPFISJPODNK-OPAMFIHVSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425948371 1100422455 /nfs/dbraw/zinc/42/24/55/1100422455.db2.gz AKOPPFISJPODNK-OPAMFIHVSA-N 2 2 353.485 4.098 20 0 FIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+]CC[C@@H]3CCOC3)cc2)c[nH+]1 ZINC000438207510 1100510544 /nfs/dbraw/zinc/51/05/44/1100510544.db2.gz ACGFUAJAGRKOCN-HXUWFJFHSA-N 2 2 361.489 4.115 20 0 FIADLP Clc1cccc([C@H](Cc2cccnc2)[NH2+]C[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000426027725 1100688711 /nfs/dbraw/zinc/68/87/11/1100688711.db2.gz CBWJHQXUBLOZMN-ICSRJNTNSA-N 2 2 366.896 4.383 20 0 FIADLP c1nc2ccccc2n1-c1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000506324764 1100867050 /nfs/dbraw/zinc/86/70/50/1100867050.db2.gz GARUOAHJIBCMTH-UHFFFAOYSA-N 2 2 374.532 4.476 20 0 FIADLP Cc1noc(C2CCC([NH2+]C[C@@]3(C)CCC[N@@H+]3Cc3ccccc3)CC2)n1 ZINC000518045342 1100885454 /nfs/dbraw/zinc/88/54/54/1100885454.db2.gz ADQPMUPEZSPBEX-QETWGEEDSA-N 2 2 368.525 4.049 20 0 FIADLP Cc1noc(C2CCC([NH2+]C[C@@]3(C)CCC[N@H+]3Cc3ccccc3)CC2)n1 ZINC000518045342 1100885461 /nfs/dbraw/zinc/88/54/61/1100885461.db2.gz ADQPMUPEZSPBEX-QETWGEEDSA-N 2 2 368.525 4.049 20 0 FIADLP CC1([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC[NH2+]CC1 ZINC000414948105 1100900145 /nfs/dbraw/zinc/90/01/45/1100900145.db2.gz XOOWAORGSRKAGM-UHFFFAOYSA-N 2 2 355.429 4.061 20 0 FIADLP c1cncc(COc2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc2)c1 ZINC000506352258 1100908977 /nfs/dbraw/zinc/90/89/77/1100908977.db2.gz FWMSXDUFSAXLNY-UHFFFAOYSA-N 2 2 365.521 4.111 20 0 FIADLP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000439002932 1101072681 /nfs/dbraw/zinc/07/26/81/1101072681.db2.gz ONIUKUXLBZHRME-GFRNBQLOSA-N 2 2 353.510 4.024 20 0 FIADLP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000439002932 1101072689 /nfs/dbraw/zinc/07/26/89/1101072689.db2.gz ONIUKUXLBZHRME-GFRNBQLOSA-N 2 2 353.510 4.024 20 0 FIADLP Fc1ccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CCOCC2)cc1 ZINC000426377583 1101401638 /nfs/dbraw/zinc/40/16/38/1101401638.db2.gz IZMSZTLYMWCPNW-UHFFFAOYSA-N 2 2 365.452 4.193 20 0 FIADLP Fc1ccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CCOCC2)cc1 ZINC000426377583 1101401647 /nfs/dbraw/zinc/40/16/47/1101401647.db2.gz IZMSZTLYMWCPNW-UHFFFAOYSA-N 2 2 365.452 4.193 20 0 FIADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCSc2ccc(Br)cc21 ZINC000537249736 1101587029 /nfs/dbraw/zinc/58/70/29/1101587029.db2.gz RPPSMXVTLUAXBN-HNNXBMFYSA-N 2 2 366.328 4.205 20 0 FIADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCSc2ccc(Br)cc21 ZINC000537249736 1101587039 /nfs/dbraw/zinc/58/70/39/1101587039.db2.gz RPPSMXVTLUAXBN-HNNXBMFYSA-N 2 2 366.328 4.205 20 0 FIADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000439683217 1101674265 /nfs/dbraw/zinc/67/42/65/1101674265.db2.gz HMPOOHURJWLELA-IBGZPJMESA-N 2 2 350.510 4.011 20 0 FIADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000439683217 1101674272 /nfs/dbraw/zinc/67/42/72/1101674272.db2.gz HMPOOHURJWLELA-IBGZPJMESA-N 2 2 350.510 4.011 20 0 FIADLP Cc1cccn2c(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cnc12 ZINC000537630378 1102227789 /nfs/dbraw/zinc/22/77/89/1102227789.db2.gz RBLSZJJJMXWPEC-TZIWHRDSSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccn2c(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cnc12 ZINC000537630378 1102227800 /nfs/dbraw/zinc/22/78/00/1102227800.db2.gz RBLSZJJJMXWPEC-TZIWHRDSSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccn2c(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cnc12 ZINC000537630378 1102227810 /nfs/dbraw/zinc/22/78/10/1102227810.db2.gz RBLSZJJJMXWPEC-TZIWHRDSSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccn2c(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cnc12 ZINC000537630378 1102227824 /nfs/dbraw/zinc/22/78/24/1102227824.db2.gz RBLSZJJJMXWPEC-TZIWHRDSSA-N 2 2 362.521 4.128 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccco2)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000532441724 1102329577 /nfs/dbraw/zinc/32/95/77/1102329577.db2.gz FHAKPWRZKLRPMI-CEMLEFRQSA-N 2 2 367.537 4.059 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccco2)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000532441724 1102329591 /nfs/dbraw/zinc/32/95/91/1102329591.db2.gz FHAKPWRZKLRPMI-CEMLEFRQSA-N 2 2 367.537 4.059 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2nc3ccccc3n2C)cc1F ZINC000091307390 1102381299 /nfs/dbraw/zinc/38/12/99/1102381299.db2.gz IXLNJADHXLIVGE-AWEZNQCLSA-N 2 2 363.440 4.057 20 0 FIADLP c1ccc(COc2ccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cc2)cc1 ZINC000121351341 1102388154 /nfs/dbraw/zinc/38/81/54/1102388154.db2.gz JUDMQDRBFGZYRI-UHFFFAOYSA-N 2 2 373.500 4.419 20 0 FIADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3sccc3NC(=O)OC(C)(C)C)C2)C1 ZINC000894621722 1102648089 /nfs/dbraw/zinc/64/80/89/1102648089.db2.gz COMJHOVTXKQFGP-LJQANCHMSA-N 2 2 365.543 4.013 20 0 FIADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3sccc3NC(=O)OC(C)(C)C)C2)C1 ZINC000894621722 1102648099 /nfs/dbraw/zinc/64/80/99/1102648099.db2.gz COMJHOVTXKQFGP-LJQANCHMSA-N 2 2 365.543 4.013 20 0 FIADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3sccc3NC(=O)OC(C)(C)C)C2)C1 ZINC000894621722 1102648106 /nfs/dbraw/zinc/64/81/06/1102648106.db2.gz COMJHOVTXKQFGP-LJQANCHMSA-N 2 2 365.543 4.013 20 0 FIADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3sccc3NC(=O)OC(C)(C)C)C2)C1 ZINC000894621722 1102648111 /nfs/dbraw/zinc/64/81/11/1102648111.db2.gz COMJHOVTXKQFGP-LJQANCHMSA-N 2 2 365.543 4.013 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)cn1 ZINC000126437350 1102706640 /nfs/dbraw/zinc/70/66/40/1102706640.db2.gz GCXBLYRHJOEIPI-INIZCTEOSA-N 2 2 350.466 4.214 20 0 FIADLP CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001167979255 1102739388 /nfs/dbraw/zinc/73/93/88/1102739388.db2.gz YLZHTRZWOBTTML-NOTZXAQLSA-N 3 2 367.581 4.036 20 0 FIADLP CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001167979255 1102739402 /nfs/dbraw/zinc/73/94/02/1102739402.db2.gz YLZHTRZWOBTTML-NOTZXAQLSA-N 3 2 367.581 4.036 20 0 FIADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000459363043 1102924821 /nfs/dbraw/zinc/92/48/21/1102924821.db2.gz RFQGOVSWWDFGOC-FQEVSTJZSA-N 2 2 357.860 4.477 20 0 FIADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000459363043 1102924822 /nfs/dbraw/zinc/92/48/22/1102924822.db2.gz RFQGOVSWWDFGOC-FQEVSTJZSA-N 2 2 357.860 4.477 20 0 FIADLP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1cn2ccccc2n1 ZINC000551301503 1103058639 /nfs/dbraw/zinc/05/86/39/1103058639.db2.gz KMCHBWYKLKRZDE-QRVBRYPASA-N 2 2 362.521 4.142 20 0 FIADLP CC1=C(c2ccco2)C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000551447511 1103229984 /nfs/dbraw/zinc/22/99/84/1103229984.db2.gz MZQPKRSTDHBKAA-NRFANRHFSA-N 2 2 366.505 4.050 20 0 FIADLP CC1=C(c2ccco2)C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000551447511 1103229999 /nfs/dbraw/zinc/22/99/99/1103229999.db2.gz MZQPKRSTDHBKAA-NRFANRHFSA-N 2 2 366.505 4.050 20 0 FIADLP CC1=C(c2ccco2)C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551447511 1103230015 /nfs/dbraw/zinc/23/00/15/1103230015.db2.gz MZQPKRSTDHBKAA-NRFANRHFSA-N 2 2 366.505 4.050 20 0 FIADLP CC1=C(c2ccco2)C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551447511 1103230025 /nfs/dbraw/zinc/23/00/25/1103230025.db2.gz MZQPKRSTDHBKAA-NRFANRHFSA-N 2 2 366.505 4.050 20 0 FIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000532828642 1103244703 /nfs/dbraw/zinc/24/47/03/1103244703.db2.gz MVTKQCVMGBPBDD-NSHDSACASA-N 2 2 367.305 4.492 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2(c3ccccc3Cl)CC2)CC1 ZINC000507494929 1103427427 /nfs/dbraw/zinc/42/74/27/1103427427.db2.gz LDLJSVUQXKKOLR-UHFFFAOYSA-N 2 2 360.851 4.378 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000537763517 1103921250 /nfs/dbraw/zinc/92/12/50/1103921250.db2.gz KMWNGHONKAJAPZ-AVRDEDQJSA-N 2 2 367.512 4.044 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000537763517 1103921254 /nfs/dbraw/zinc/92/12/54/1103921254.db2.gz KMWNGHONKAJAPZ-AVRDEDQJSA-N 2 2 367.512 4.044 20 0 FIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)sc2Cl)[C@@H](C)C1 ZINC000537766425 1103924321 /nfs/dbraw/zinc/92/43/21/1103924321.db2.gz CBNAEQQIFHKUHR-GXTWGEPZSA-N 2 2 365.370 4.282 20 0 FIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)sc2Cl)[C@@H](C)C1 ZINC000537766425 1103924324 /nfs/dbraw/zinc/92/43/24/1103924324.db2.gz CBNAEQQIFHKUHR-GXTWGEPZSA-N 2 2 365.370 4.282 20 0 FIADLP Cc1[nH+]cn(-c2ccc(NC(=O)Nc3cccc(C[NH+](C)C)c3)cc2)c1C ZINC000461114594 1104111839 /nfs/dbraw/zinc/11/18/39/1104111839.db2.gz SSADKQUUMFAVDR-UHFFFAOYSA-N 2 2 363.465 4.195 20 0 FIADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000441404460 1104344801 /nfs/dbraw/zinc/34/48/01/1104344801.db2.gz NRVOTVCSZARRPC-DENIHFKCSA-N 2 2 354.538 4.263 20 0 FIADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000441404460 1104344812 /nfs/dbraw/zinc/34/48/12/1104344812.db2.gz NRVOTVCSZARRPC-DENIHFKCSA-N 2 2 354.538 4.263 20 0 FIADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000441404460 1104344822 /nfs/dbraw/zinc/34/48/22/1104344822.db2.gz NRVOTVCSZARRPC-DENIHFKCSA-N 2 2 354.538 4.263 20 0 FIADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000441404460 1104344832 /nfs/dbraw/zinc/34/48/32/1104344832.db2.gz NRVOTVCSZARRPC-DENIHFKCSA-N 2 2 354.538 4.263 20 0 FIADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000441404467 1104345193 /nfs/dbraw/zinc/34/51/93/1104345193.db2.gz NRVOTVCSZARRPC-UGKGYDQZSA-N 2 2 354.538 4.263 20 0 FIADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000441404467 1104345205 /nfs/dbraw/zinc/34/52/05/1104345205.db2.gz NRVOTVCSZARRPC-UGKGYDQZSA-N 2 2 354.538 4.263 20 0 FIADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000441404467 1104345217 /nfs/dbraw/zinc/34/52/17/1104345217.db2.gz NRVOTVCSZARRPC-UGKGYDQZSA-N 2 2 354.538 4.263 20 0 FIADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000441404467 1104345228 /nfs/dbraw/zinc/34/52/28/1104345228.db2.gz NRVOTVCSZARRPC-UGKGYDQZSA-N 2 2 354.538 4.263 20 0 FIADLP Fc1ccc([C@H]2CSCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167994689 1104483941 /nfs/dbraw/zinc/48/39/41/1104483941.db2.gz KORJIJKILXDHIX-JGUMPVPUSA-N 2 2 360.542 4.321 20 0 FIADLP Fc1ccc([C@H]2CSCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167994689 1104483945 /nfs/dbraw/zinc/48/39/45/1104483945.db2.gz KORJIJKILXDHIX-JGUMPVPUSA-N 2 2 360.542 4.321 20 0 FIADLP Fc1ccc([C@H]2CSCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167994689 1104483949 /nfs/dbraw/zinc/48/39/49/1104483949.db2.gz KORJIJKILXDHIX-JGUMPVPUSA-N 2 2 360.542 4.321 20 0 FIADLP Fc1ccc([C@H]2CSCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167994689 1104483953 /nfs/dbraw/zinc/48/39/53/1104483953.db2.gz KORJIJKILXDHIX-JGUMPVPUSA-N 2 2 360.542 4.321 20 0 FIADLP Clc1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000441459534 1104767357 /nfs/dbraw/zinc/76/73/57/1104767357.db2.gz BNOZNYNCDSPKBH-OAHLLOKOSA-N 2 2 357.325 4.180 20 0 FIADLP Clc1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000441459534 1104767362 /nfs/dbraw/zinc/76/73/62/1104767362.db2.gz BNOZNYNCDSPKBH-OAHLLOKOSA-N 2 2 357.325 4.180 20 0 FIADLP C[C@H]1CC([N@H+](CCC[NH3+])C2CCCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168008001 1105151566 /nfs/dbraw/zinc/15/15/66/1105151566.db2.gz CBOQXHDJVIYEQE-PMACEKPBSA-N 3 2 357.586 4.412 20 0 FIADLP C[C@H]1CC([N@@H+](CCC[NH3+])C2CCCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168008001 1105151568 /nfs/dbraw/zinc/15/15/68/1105151568.db2.gz CBOQXHDJVIYEQE-PMACEKPBSA-N 3 2 357.586 4.412 20 0 FIADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(SCC(F)(F)F)cc1 ZINC000427879814 1105300170 /nfs/dbraw/zinc/30/01/70/1105300170.db2.gz YPXNDEAVYVNCDS-GXTWGEPZSA-N 2 2 355.429 4.203 20 0 FIADLP Cc1ccccc1COc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427868317 1105303931 /nfs/dbraw/zinc/30/39/31/1105303931.db2.gz DIAFPLMZBZZBFC-RXVVDRJESA-N 2 2 361.489 4.436 20 0 FIADLP Fc1cccc(C[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccc(F)c2)c1 ZINC000427870485 1105305893 /nfs/dbraw/zinc/30/58/93/1105305893.db2.gz VCORVAZFWUBJQF-WOJBJXKFSA-N 2 2 353.416 4.050 20 0 FIADLP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000427883870 1105309998 /nfs/dbraw/zinc/30/99/98/1105309998.db2.gz DSCRGTHYAQVZBA-KNQAVFIVSA-N 2 2 354.542 4.039 20 0 FIADLP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)n1 ZINC000427883870 1105310004 /nfs/dbraw/zinc/31/00/04/1105310004.db2.gz DSCRGTHYAQVZBA-KNQAVFIVSA-N 2 2 354.542 4.039 20 0 FIADLP CC(C)(C)c1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000390665788 1106739046 /nfs/dbraw/zinc/73/90/46/1106739046.db2.gz QXAXOSMWMBDAFT-FQEVSTJZSA-N 2 2 366.553 4.164 20 0 FIADLP CC(C)(C)c1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000390665788 1106739057 /nfs/dbraw/zinc/73/90/57/1106739057.db2.gz QXAXOSMWMBDAFT-FQEVSTJZSA-N 2 2 366.553 4.164 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccc4ncccc4c3)C2)CC1 ZINC000475349270 1106740558 /nfs/dbraw/zinc/74/05/58/1106740558.db2.gz OUGXPGVEPDKPEK-UHFFFAOYSA-N 2 2 363.427 4.130 20 0 FIADLP Fc1ccc(/C=C\C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(F)c1 ZINC000475352269 1106743762 /nfs/dbraw/zinc/74/37/62/1106743762.db2.gz UEUVKMBRQFWJDV-UPHRSURJSA-N 2 2 374.397 4.373 20 0 FIADLP COc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1Cl ZINC000450872964 1106772040 /nfs/dbraw/zinc/77/20/40/1106772040.db2.gz DFEPGXPOOGHENN-UHFFFAOYSA-N 2 2 359.901 4.261 20 0 FIADLP C[C@@H](c1cccnc1)[NH+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000301308332 1106986805 /nfs/dbraw/zinc/98/68/05/1106986805.db2.gz WOIWTABWUFZKHV-HNNXBMFYSA-N 2 2 352.869 4.166 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCCNc4ccccc43)C2)CC1 ZINC000530470958 1107057054 /nfs/dbraw/zinc/05/70/54/1107057054.db2.gz PGPGAAOPDGWYTE-LADRWXRNSA-N 2 2 367.459 4.328 20 0 FIADLP Cc1nc(NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c(C)[nH+]1 ZINC000301876456 1107195157 /nfs/dbraw/zinc/19/51/57/1107195157.db2.gz KKTWXAZWZVDRRX-MAUKXSAKSA-N 2 2 362.880 4.299 20 0 FIADLP Cc1nc(NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c(C)[nH+]1 ZINC000301876456 1107195163 /nfs/dbraw/zinc/19/51/63/1107195163.db2.gz KKTWXAZWZVDRRX-MAUKXSAKSA-N 2 2 362.880 4.299 20 0 FIADLP Cc1nc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c2c([nH+]1)CCCC2 ZINC000302081138 1107294507 /nfs/dbraw/zinc/29/45/07/1107294507.db2.gz JCAPPRCTBZAZOR-KXBFYZLASA-N 2 2 356.539 4.220 20 0 FIADLP Cc1nc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c2c([nH+]1)CCCC2 ZINC000302081138 1107294530 /nfs/dbraw/zinc/29/45/30/1107294530.db2.gz JCAPPRCTBZAZOR-KXBFYZLASA-N 2 2 356.539 4.220 20 0 FIADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000530949918 1107429128 /nfs/dbraw/zinc/42/91/28/1107429128.db2.gz ZSOXDVJAIPXBLH-OAQYLSRUSA-N 2 2 374.488 4.278 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[N@@H+]1C ZINC000531378939 1107799091 /nfs/dbraw/zinc/79/90/91/1107799091.db2.gz WBAUKFNXRJZZPK-WMZHIEFXSA-N 2 2 374.532 4.454 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[N@H+]1C ZINC000531378939 1107799107 /nfs/dbraw/zinc/79/91/07/1107799107.db2.gz WBAUKFNXRJZZPK-WMZHIEFXSA-N 2 2 374.532 4.454 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[NH+]1C ZINC000531378939 1107799123 /nfs/dbraw/zinc/79/91/23/1107799123.db2.gz WBAUKFNXRJZZPK-WMZHIEFXSA-N 2 2 374.532 4.454 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[NH+]1C ZINC000531378939 1107799139 /nfs/dbraw/zinc/79/91/39/1107799139.db2.gz WBAUKFNXRJZZPK-WMZHIEFXSA-N 2 2 374.532 4.454 20 0 FIADLP CCc1nc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000428366703 1107899446 /nfs/dbraw/zinc/89/94/46/1107899446.db2.gz YWLBLOUMVNMRIY-UXHICEINSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1nc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000428366703 1107899460 /nfs/dbraw/zinc/89/94/60/1107899460.db2.gz YWLBLOUMVNMRIY-UXHICEINSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1nc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000428366703 1107899473 /nfs/dbraw/zinc/89/94/73/1107899473.db2.gz YWLBLOUMVNMRIY-UXHICEINSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1nc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000428366703 1107899491 /nfs/dbraw/zinc/89/94/91/1107899491.db2.gz YWLBLOUMVNMRIY-UXHICEINSA-N 2 2 353.510 4.032 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(Br)cc1 ZINC000531712230 1108091310 /nfs/dbraw/zinc/09/13/10/1108091310.db2.gz WIHPYDKXDUUBEX-AWEZNQCLSA-N 2 2 356.267 4.486 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OC(F)F)CC[N@@H+]1C ZINC000531735419 1108105753 /nfs/dbraw/zinc/10/57/53/1108105753.db2.gz BXWZAHFYANIXKP-SKDRFNHKSA-N 2 2 353.240 4.167 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OC(F)F)CC[N@H+]1C ZINC000531735419 1108105762 /nfs/dbraw/zinc/10/57/62/1108105762.db2.gz BXWZAHFYANIXKP-SKDRFNHKSA-N 2 2 353.240 4.167 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000453065185 1108142709 /nfs/dbraw/zinc/14/27/09/1108142709.db2.gz SSZYWPDHFTUTAN-QGZVFWFLSA-N 2 2 351.494 4.399 20 0 FIADLP FC(F)(F)C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000444743323 1108145273 /nfs/dbraw/zinc/14/52/73/1108145273.db2.gz LBZLWDXZORMODV-ZDUSSCGKSA-N 2 2 351.294 4.185 20 0 FIADLP FC(F)(F)C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000444743321 1108146465 /nfs/dbraw/zinc/14/64/65/1108146465.db2.gz LBZLWDXZORMODV-CYBMUJFWSA-N 2 2 351.294 4.185 20 0 FIADLP CC(C)CCn1cccc1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000523390890 1108174687 /nfs/dbraw/zinc/17/46/87/1108174687.db2.gz HLMWRHMVHGCFRA-UHFFFAOYSA-N 2 2 357.517 4.428 20 0 FIADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000453224984 1108297099 /nfs/dbraw/zinc/29/70/99/1108297099.db2.gz CNQWBXUDWUCPAL-KRWDZBQOSA-N 2 2 371.843 4.451 20 0 FIADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)c1ccccc1N(C)C ZINC000453233152 1108308245 /nfs/dbraw/zinc/30/82/45/1108308245.db2.gz JPGJRIMFZZWFQL-OAHLLOKOSA-N 2 2 354.885 4.443 20 0 FIADLP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000531932863 1108402207 /nfs/dbraw/zinc/40/22/07/1108402207.db2.gz MSEUYPSOUGGJJK-WMZHIEFXSA-N 2 2 351.538 4.248 20 0 FIADLP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000531932863 1108402217 /nfs/dbraw/zinc/40/22/17/1108402217.db2.gz MSEUYPSOUGGJJK-WMZHIEFXSA-N 2 2 351.538 4.248 20 0 FIADLP Cc1ccc([C@H](CN[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000531962054 1108457638 /nfs/dbraw/zinc/45/76/38/1108457638.db2.gz QCQHHEJVPZZQHA-HJNYFJLDSA-N 2 2 367.537 4.150 20 0 FIADLP Cc1ccc([C@H](CN[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000531962054 1108457646 /nfs/dbraw/zinc/45/76/46/1108457646.db2.gz QCQHHEJVPZZQHA-HJNYFJLDSA-N 2 2 367.537 4.150 20 0 FIADLP CCCc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)o1 ZINC000453384785 1108469278 /nfs/dbraw/zinc/46/92/78/1108469278.db2.gz NBHZFUROZVOLDR-NJDAHSKKSA-N 2 2 353.510 4.160 20 0 FIADLP CCCc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)o1 ZINC000453384785 1108469284 /nfs/dbraw/zinc/46/92/84/1108469284.db2.gz NBHZFUROZVOLDR-NJDAHSKKSA-N 2 2 353.510 4.160 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)[C@H](C)C1 ZINC000532195173 1108703853 /nfs/dbraw/zinc/70/38/53/1108703853.db2.gz GMFAOILGXVUSAP-GDBMZVCRSA-N 2 2 355.507 4.376 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)[C@H](C)C1 ZINC000532195173 1108703858 /nfs/dbraw/zinc/70/38/58/1108703858.db2.gz GMFAOILGXVUSAP-GDBMZVCRSA-N 2 2 355.507 4.376 20 0 FIADLP CCCOc1ccc(Br)cc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000508562251 1109182956 /nfs/dbraw/zinc/18/29/56/1109182956.db2.gz DSZGFZQPTAFFQV-HNNXBMFYSA-N 2 2 369.347 4.012 20 0 FIADLP CCCOc1ccc(Br)cc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000508562251 1109182959 /nfs/dbraw/zinc/18/29/59/1109182959.db2.gz DSZGFZQPTAFFQV-HNNXBMFYSA-N 2 2 369.347 4.012 20 0 FIADLP CCCOc1ccc(Br)cc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000508562251 1109182963 /nfs/dbraw/zinc/18/29/63/1109182963.db2.gz DSZGFZQPTAFFQV-HNNXBMFYSA-N 2 2 369.347 4.012 20 0 FIADLP CCCOc1ccc(Br)cc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000508562251 1109182970 /nfs/dbraw/zinc/18/29/70/1109182970.db2.gz DSZGFZQPTAFFQV-HNNXBMFYSA-N 2 2 369.347 4.012 20 0 FIADLP COc1cc2c(cc1C[NH2+][C@@H](C)c1cccc(-n3cc[nH+]c3)c1)O[C@@H](C)C2 ZINC000525194831 1109303999 /nfs/dbraw/zinc/30/39/99/1109303999.db2.gz CJQPXYBYLFCEQK-HOTGVXAUSA-N 2 2 363.461 4.055 20 0 FIADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000525267149 1109325009 /nfs/dbraw/zinc/32/50/09/1109325009.db2.gz IITBRVSEIXULCI-RDJZCZTQSA-N 2 2 370.368 4.155 20 0 FIADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000525267149 1109325014 /nfs/dbraw/zinc/32/50/14/1109325014.db2.gz IITBRVSEIXULCI-RDJZCZTQSA-N 2 2 370.368 4.155 20 0 FIADLP C[NH+](C)[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccsc1 ZINC000447546303 1109574939 /nfs/dbraw/zinc/57/49/39/1109574939.db2.gz USWDOJDHIOLLCA-LRSLUSHPSA-N 2 2 369.578 4.136 20 0 FIADLP C[NH+](C)[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccsc1 ZINC000447546303 1109574942 /nfs/dbraw/zinc/57/49/42/1109574942.db2.gz USWDOJDHIOLLCA-LRSLUSHPSA-N 2 2 369.578 4.136 20 0 FIADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1csc(Cl)c1 ZINC000526049267 1109604037 /nfs/dbraw/zinc/60/40/37/1109604037.db2.gz XHHGMUVENXZKLF-QAPCUYQASA-N 2 2 363.958 4.041 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000447941967 1109677113 /nfs/dbraw/zinc/67/71/13/1109677113.db2.gz LUVQMLWDLAJFAB-CTNGQTDRSA-N 2 2 360.505 4.015 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000447941967 1109677114 /nfs/dbraw/zinc/67/71/14/1109677114.db2.gz LUVQMLWDLAJFAB-CTNGQTDRSA-N 2 2 360.505 4.015 20 0 FIADLP C[C@@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1cc(F)cc(F)c1 ZINC000449014884 1109954210 /nfs/dbraw/zinc/95/42/10/1109954210.db2.gz AKAFNUQDDBNVHX-KRWDZBQOSA-N 2 2 373.491 4.102 20 0 FIADLP C[C@@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1cc(F)cc(F)c1 ZINC000449014884 1109954212 /nfs/dbraw/zinc/95/42/12/1109954212.db2.gz AKAFNUQDDBNVHX-KRWDZBQOSA-N 2 2 373.491 4.102 20 0 FIADLP Fc1cccc(F)c1-c1ncc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000449018012 1109955005 /nfs/dbraw/zinc/95/50/05/1109955005.db2.gz IRGKDJDZQFJJAX-UHFFFAOYSA-N 2 2 360.433 4.191 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(CCc3ccccc3)s2)[C@H](C)C1 ZINC000449028947 1109959660 /nfs/dbraw/zinc/95/96/60/1109959660.db2.gz NHULIUGHTDNGAC-YLJYHZDGSA-N 2 2 357.567 4.090 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(CCc3ccccc3)s2)[C@H](C)C1 ZINC000449028947 1109959661 /nfs/dbraw/zinc/95/96/61/1109959661.db2.gz NHULIUGHTDNGAC-YLJYHZDGSA-N 2 2 357.567 4.090 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(CCc3ccccc3)s2)[C@H](C)C1 ZINC000449028947 1109959662 /nfs/dbraw/zinc/95/96/62/1109959662.db2.gz NHULIUGHTDNGAC-YLJYHZDGSA-N 2 2 357.567 4.090 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(CCc3ccccc3)s2)[C@H](C)C1 ZINC000449028947 1109959666 /nfs/dbraw/zinc/95/96/66/1109959666.db2.gz NHULIUGHTDNGAC-YLJYHZDGSA-N 2 2 357.567 4.090 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC[N@@H+]1C ZINC000449025238 1109964353 /nfs/dbraw/zinc/96/43/53/1109964353.db2.gz AWRKGINOTAPCKW-CHWSQXEVSA-N 2 2 351.466 4.003 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC[N@H+]1C ZINC000449025238 1109964355 /nfs/dbraw/zinc/96/43/55/1109964355.db2.gz AWRKGINOTAPCKW-CHWSQXEVSA-N 2 2 351.466 4.003 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC[NH+]1C ZINC000449025238 1109964356 /nfs/dbraw/zinc/96/43/56/1109964356.db2.gz AWRKGINOTAPCKW-CHWSQXEVSA-N 2 2 351.466 4.003 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC[NH+]1C ZINC000449025238 1109964360 /nfs/dbraw/zinc/96/43/60/1109964360.db2.gz AWRKGINOTAPCKW-CHWSQXEVSA-N 2 2 351.466 4.003 20 0 FIADLP Clc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(Cl)s1 ZINC000449091761 1109978795 /nfs/dbraw/zinc/97/87/95/1109978795.db2.gz RRBJWGLJYGAQAM-UHFFFAOYSA-N 2 2 371.333 4.177 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(-c3ccccc3F)s1)CCC2 ZINC000449171068 1109988235 /nfs/dbraw/zinc/98/82/35/1109988235.db2.gz SMSHBWCUXOAMFI-CQSZACIVSA-N 2 2 356.470 4.121 20 0 FIADLP COC[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000449180140 1109993004 /nfs/dbraw/zinc/99/30/04/1109993004.db2.gz YLWITNBPFNHHNX-JPYJTQIMSA-N 2 2 370.512 4.198 20 0 FIADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2cccc(F)c2Br)cc1F ZINC000449211979 1109997035 /nfs/dbraw/zinc/99/70/35/1109997035.db2.gz YTDVWQQNZNYSPD-UHFFFAOYSA-N 2 2 369.253 4.079 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)s1 ZINC000449449227 1110073469 /nfs/dbraw/zinc/07/34/69/1110073469.db2.gz KWZLIQUWVGDQRZ-KRWDZBQOSA-N 2 2 353.894 4.238 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC(C)=C[C@H](C)C3)CC2)cc1 ZINC000449523124 1110098913 /nfs/dbraw/zinc/09/89/13/1110098913.db2.gz KXDARGRWMVGUPT-LAUBAEHRSA-N 2 2 369.553 4.191 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H](C)C[C@H]3C)CC2)cc1 ZINC000449523886 1110098929 /nfs/dbraw/zinc/09/89/29/1110098929.db2.gz MKFXTPAAJIPVQA-GSHUGGBRSA-N 2 2 357.542 4.024 20 0 FIADLP CC[C@@H](C)C[C@H](CC)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449524483 1110098951 /nfs/dbraw/zinc/09/89/51/1110098951.db2.gz OEHVEFRCKVCYCC-XLIONFOSSA-N 2 2 359.558 4.414 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(Cl)c3)CC2)cc1 ZINC000449524891 1110098966 /nfs/dbraw/zinc/09/89/66/1110098966.db2.gz SRVDUCRYHYBTKV-UHFFFAOYSA-N 2 2 371.912 4.053 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000449525738 1110099409 /nfs/dbraw/zinc/09/94/09/1110099409.db2.gz UHQVYQNIMIYYCE-YZZKKUAISA-N 2 2 371.569 4.414 20 0 FIADLP Fc1cc2[nH+]ccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2cc1Br ZINC000450254792 1110269632 /nfs/dbraw/zinc/26/96/32/1110269632.db2.gz WEYNSSGAHRCRTP-NWDGAFQWSA-N 2 2 364.262 4.175 20 0 FIADLP Fc1cc2[nH+]ccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2cc1Br ZINC000450254792 1110269633 /nfs/dbraw/zinc/26/96/33/1110269633.db2.gz WEYNSSGAHRCRTP-NWDGAFQWSA-N 2 2 364.262 4.175 20 0 FIADLP CC(C)[NH2+]C1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450301359 1110276991 /nfs/dbraw/zinc/27/69/91/1110276991.db2.gz FICZBAZCHSZLEV-UHFFFAOYSA-N 2 2 366.278 4.103 20 0 FIADLP C[NH+](C)CCCC1CC[NH+](Cc2ncc(Cl)cc2Br)CC1 ZINC000529528608 1110281823 /nfs/dbraw/zinc/28/18/23/1110281823.db2.gz KSJLIABIGQMENN-UHFFFAOYSA-N 2 2 374.754 4.051 20 0 FIADLP CSC1(CNc2cc[nH+]c3cc(F)c(Cl)cc23)CC[NH+](C)CC1 ZINC000450532080 1110309960 /nfs/dbraw/zinc/30/99/60/1110309960.db2.gz MRQCOOSBDUHWFG-UHFFFAOYSA-N 2 2 353.894 4.267 20 0 FIADLP CC[N@H+](CC1CC(F)(F)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000450569050 1110315604 /nfs/dbraw/zinc/31/56/04/1110315604.db2.gz PCTRMXFKLYRSKA-UHFFFAOYSA-N 2 2 366.500 4.244 20 0 FIADLP CC[N@@H+](CC1CC(F)(F)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000450569050 1110315606 /nfs/dbraw/zinc/31/56/06/1110315606.db2.gz PCTRMXFKLYRSKA-UHFFFAOYSA-N 2 2 366.500 4.244 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1C[C@@H](OCc3ccccc3)C1(C)C)CCC2 ZINC000538510107 1111174324 /nfs/dbraw/zinc/17/43/24/1111174324.db2.gz MMZXZLLQBKFSQX-SLFFLAALSA-N 2 2 353.510 4.042 20 0 FIADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)c(F)c1 ZINC000538556632 1111192750 /nfs/dbraw/zinc/19/27/50/1111192750.db2.gz DWVWWRVQRKDFLI-CZUORRHYSA-N 2 2 362.880 4.188 20 0 FIADLP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000538797864 1111295439 /nfs/dbraw/zinc/29/54/39/1111295439.db2.gz BWHXQIQPBFVCOY-OXQOHEQNSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000538797864 1111295441 /nfs/dbraw/zinc/29/54/41/1111295441.db2.gz BWHXQIQPBFVCOY-OXQOHEQNSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000538797864 1111295444 /nfs/dbraw/zinc/29/54/44/1111295444.db2.gz BWHXQIQPBFVCOY-OXQOHEQNSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000538797864 1111295446 /nfs/dbraw/zinc/29/54/46/1111295446.db2.gz BWHXQIQPBFVCOY-OXQOHEQNSA-N 2 2 370.928 4.179 20 0 FIADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000461800179 1111360731 /nfs/dbraw/zinc/36/07/31/1111360731.db2.gz AANVXAKFEZXEHF-LJQANCHMSA-N 2 2 352.522 4.361 20 0 FIADLP c1c[nH]c([C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C2CCCCC2)n1 ZINC000552055238 1111559253 /nfs/dbraw/zinc/55/92/53/1111559253.db2.gz FQFNNOILXOBMCX-CTNGQTDRSA-N 2 2 352.526 4.143 20 0 FIADLP c1c[nH]c([C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CCCCC2)n1 ZINC000552055238 1111559255 /nfs/dbraw/zinc/55/92/55/1111559255.db2.gz FQFNNOILXOBMCX-CTNGQTDRSA-N 2 2 352.526 4.143 20 0 FIADLP CSc1cccc(F)c1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000552088853 1111570218 /nfs/dbraw/zinc/57/02/18/1111570218.db2.gz UGYRBSWYDDVGTO-UHFFFAOYSA-N 2 2 358.526 4.344 20 0 FIADLP Oc1ccc(F)c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1F ZINC000552273594 1111654893 /nfs/dbraw/zinc/65/48/93/1111654893.db2.gz NKFKLMTZYICPCG-UHFFFAOYSA-N 2 2 372.459 4.159 20 0 FIADLP Oc1ccc(F)c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1F ZINC000552273594 1111654896 /nfs/dbraw/zinc/65/48/96/1111654896.db2.gz NKFKLMTZYICPCG-UHFFFAOYSA-N 2 2 372.459 4.159 20 0 FIADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCCc3nn(C)cc32)CCCC1)c1ccccc1 ZINC000479052372 1111941303 /nfs/dbraw/zinc/94/13/03/1111941303.db2.gz BBCYZTFSJKJUPB-PXNSSMCTSA-N 2 2 352.526 4.051 20 0 FIADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000479263972 1111978822 /nfs/dbraw/zinc/97/88/22/1111978822.db2.gz ARGYMHZIXIXWPF-HNNXBMFYSA-N 2 2 362.315 4.257 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1csc(-c3ccc(F)cc3)n1)CCC2 ZINC000553508138 1111991248 /nfs/dbraw/zinc/99/12/48/1111991248.db2.gz SISULLVQEHMVCK-HNNXBMFYSA-N 2 2 356.470 4.121 20 0 FIADLP CC(C)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(F)ccc1F ZINC000479344570 1111995354 /nfs/dbraw/zinc/99/53/54/1111995354.db2.gz LHHKOVXPKSZEAZ-JOCHJYFZSA-N 2 2 374.475 4.284 20 0 FIADLP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000553548551 1112001845 /nfs/dbraw/zinc/00/18/45/1112001845.db2.gz ROJOXUWQTNZAOE-UHFFFAOYSA-N 2 2 365.251 4.311 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000479473510 1112036763 /nfs/dbraw/zinc/03/67/63/1112036763.db2.gz AWSHRXAYJDITPN-XGRCMKMKSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000479473510 1112036768 /nfs/dbraw/zinc/03/67/68/1112036768.db2.gz AWSHRXAYJDITPN-XGRCMKMKSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc2c(c1)COC2 ZINC000479480898 1112038581 /nfs/dbraw/zinc/03/85/81/1112038581.db2.gz ULLIEYQLUAGOBT-XYJCDUHRSA-N 2 2 368.443 4.173 20 0 FIADLP C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000479464906 1112041910 /nfs/dbraw/zinc/04/19/10/1112041910.db2.gz PWFIMGCDYYDZCA-LJQANCHMSA-N 2 2 360.505 4.440 20 0 FIADLP Brc1ccc2oc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000667533521 1112102167 /nfs/dbraw/zinc/10/21/67/1112102167.db2.gz VHDRYEPIEYUKSM-LBPRGKRZSA-N 2 2 360.255 4.298 20 0 FIADLP Brc1ccc2oc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000667533521 1112102169 /nfs/dbraw/zinc/10/21/69/1112102169.db2.gz VHDRYEPIEYUKSM-LBPRGKRZSA-N 2 2 360.255 4.298 20 0 FIADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(OCc2ccccc2)n1 ZINC000554266533 1112274411 /nfs/dbraw/zinc/27/44/11/1112274411.db2.gz ZZILCIYHCLVABI-OAQYLSRUSA-N 2 2 367.537 4.194 20 0 FIADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(OCc2ccccc2)n1 ZINC000554266533 1112274413 /nfs/dbraw/zinc/27/44/13/1112274413.db2.gz ZZILCIYHCLVABI-OAQYLSRUSA-N 2 2 367.537 4.194 20 0 FIADLP COc1cc([C@@H](C)[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(F)cn1 ZINC000554345270 1112308121 /nfs/dbraw/zinc/30/81/21/1112308121.db2.gz JKQZRUWZEDMHTC-SVQXRNPESA-N 2 2 371.500 4.037 20 0 FIADLP COc1cc([C@@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(F)cn1 ZINC000554345270 1112308126 /nfs/dbraw/zinc/30/81/26/1112308126.db2.gz JKQZRUWZEDMHTC-SVQXRNPESA-N 2 2 371.500 4.037 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@@H]1C ZINC000667664287 1112395516 /nfs/dbraw/zinc/39/55/16/1112395516.db2.gz HPQJNSKXAXOQOY-LPHOPBHVSA-N 2 2 357.473 4.318 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@@H]1C ZINC000667664287 1112395522 /nfs/dbraw/zinc/39/55/22/1112395522.db2.gz HPQJNSKXAXOQOY-LPHOPBHVSA-N 2 2 357.473 4.318 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@@H]1C ZINC000667664287 1112395528 /nfs/dbraw/zinc/39/55/28/1112395528.db2.gz HPQJNSKXAXOQOY-LPHOPBHVSA-N 2 2 357.473 4.318 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@@H]1C ZINC000667664287 1112395533 /nfs/dbraw/zinc/39/55/33/1112395533.db2.gz HPQJNSKXAXOQOY-LPHOPBHVSA-N 2 2 357.473 4.318 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(-c3cccc(F)c3F)o1)CCC2 ZINC000480380010 1112405642 /nfs/dbraw/zinc/40/56/42/1112405642.db2.gz DDVPPWJLJNYYLM-AWEZNQCLSA-N 2 2 357.404 4.397 20 0 FIADLP CC1CC[NH+]([C@H](C[NH2+]CCC(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000554603807 1112415395 /nfs/dbraw/zinc/41/53/95/1112415395.db2.gz GVMBDOMGLGNHJQ-JOCHJYFZSA-N 2 2 365.521 4.078 20 0 FIADLP CC[N@H+](CCC(=O)c1ccc(C)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000480528005 1112469749 /nfs/dbraw/zinc/46/97/49/1112469749.db2.gz PSOFKGUQDXIAGI-UHFFFAOYSA-N 2 2 365.521 4.201 20 0 FIADLP CC[N@@H+](CCC(=O)c1ccc(C)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000480528005 1112469752 /nfs/dbraw/zinc/46/97/52/1112469752.db2.gz PSOFKGUQDXIAGI-UHFFFAOYSA-N 2 2 365.521 4.201 20 0 FIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCC2(CCOCC2)CC1)C1CC1 ZINC000480762089 1112591071 /nfs/dbraw/zinc/59/10/71/1112591071.db2.gz UIPDAJCQZCCYDN-JOCHJYFZSA-N 2 2 356.554 4.226 20 0 FIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCC2(CCOCC2)CC1)C1CC1 ZINC000480762089 1112591073 /nfs/dbraw/zinc/59/10/73/1112591073.db2.gz UIPDAJCQZCCYDN-JOCHJYFZSA-N 2 2 356.554 4.226 20 0 FIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000480761519 1112592045 /nfs/dbraw/zinc/59/20/45/1112592045.db2.gz SNGSFZZCMKYHKL-CZUORRHYSA-N 2 2 356.470 4.201 20 0 FIADLP CCCc1csc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000554980406 1112597043 /nfs/dbraw/zinc/59/70/43/1112597043.db2.gz AIXXKMJHHOHMTL-IBGZPJMESA-N 2 2 357.567 4.488 20 0 FIADLP CCCc1csc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000554980406 1112597047 /nfs/dbraw/zinc/59/70/47/1112597047.db2.gz AIXXKMJHHOHMTL-IBGZPJMESA-N 2 2 357.567 4.488 20 0 FIADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1nccc2ccccc21 ZINC000554996963 1112610367 /nfs/dbraw/zinc/61/03/67/1112610367.db2.gz FBIACCPOHDXYCM-FQEVSTJZSA-N 2 2 374.532 4.098 20 0 FIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2)c[nH+]1 ZINC000667843545 1112812816 /nfs/dbraw/zinc/81/28/16/1112812816.db2.gz GZCDZVPJASTFJX-LADGPHEKSA-N 2 2 373.500 4.256 20 0 FIADLP CCCOc1ccc(Oc2ncccc2C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000481325625 1112900942 /nfs/dbraw/zinc/90/09/42/1112900942.db2.gz VSHHBXLZRORYOK-UTKZUKDTSA-N 2 2 369.509 4.093 20 0 FIADLP CCCOc1ccc(Oc2ncccc2C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000481325625 1112900943 /nfs/dbraw/zinc/90/09/43/1112900943.db2.gz VSHHBXLZRORYOK-UTKZUKDTSA-N 2 2 369.509 4.093 20 0 FIADLP FC1(c2cccc(Cl)c2)CC([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000482066745 1113165753 /nfs/dbraw/zinc/16/57/53/1113165753.db2.gz NMFNDBJNXORPEF-UHFFFAOYSA-N 2 2 359.876 4.321 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000482643952 1113318106 /nfs/dbraw/zinc/31/81/06/1113318106.db2.gz SXJZXLPYVGDAPG-QHCPKHFHSA-N 2 2 366.549 4.449 20 0 FIADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000482692787 1113332535 /nfs/dbraw/zinc/33/25/35/1113332535.db2.gz AIYPKWRMVWYNGI-UHFFFAOYSA-N 2 2 373.928 4.317 20 0 FIADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000483113790 1113445666 /nfs/dbraw/zinc/44/56/66/1113445666.db2.gz CFKFWSCKUGWBIU-DENIHFKCSA-N 2 2 368.521 4.027 20 0 FIADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000483113790 1113445668 /nfs/dbraw/zinc/44/56/68/1113445668.db2.gz CFKFWSCKUGWBIU-DENIHFKCSA-N 2 2 368.521 4.027 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1Br ZINC000483144410 1113452932 /nfs/dbraw/zinc/45/29/32/1113452932.db2.gz ZDJRSLSCZBQSOI-CQSZACIVSA-N 2 2 356.267 4.486 20 0 FIADLP CC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(OC)c(OC)c1 ZINC000483145236 1113453837 /nfs/dbraw/zinc/45/38/37/1113453837.db2.gz OOLCXBLPXCATTE-LJQANCHMSA-N 2 2 351.450 4.130 20 0 FIADLP CC[N@H+](CC1(OC)CCCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000483259723 1113475849 /nfs/dbraw/zinc/47/58/49/1113475849.db2.gz NGZUEXHCSNBJPR-UHFFFAOYSA-N 2 2 374.573 4.158 20 0 FIADLP CC[N@@H+](CC1(OC)CCCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000483259723 1113475851 /nfs/dbraw/zinc/47/58/51/1113475851.db2.gz NGZUEXHCSNBJPR-UHFFFAOYSA-N 2 2 374.573 4.158 20 0 FIADLP CCN(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000483266521 1113476421 /nfs/dbraw/zinc/47/64/21/1113476421.db2.gz ASBNESYZLLLVKZ-UGKGYDQZSA-N 2 2 366.553 4.023 20 0 FIADLP CCN(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000483266521 1113476424 /nfs/dbraw/zinc/47/64/24/1113476424.db2.gz ASBNESYZLLLVKZ-UGKGYDQZSA-N 2 2 366.553 4.023 20 0 FIADLP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000483266521 1113476425 /nfs/dbraw/zinc/47/64/25/1113476425.db2.gz ASBNESYZLLLVKZ-UGKGYDQZSA-N 2 2 366.553 4.023 20 0 FIADLP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000483266521 1113476428 /nfs/dbraw/zinc/47/64/28/1113476428.db2.gz ASBNESYZLLLVKZ-UGKGYDQZSA-N 2 2 366.553 4.023 20 0 FIADLP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000483289765 1113481018 /nfs/dbraw/zinc/48/10/18/1113481018.db2.gz AKEFBBSZBQAAJS-NRFANRHFSA-N 2 2 358.574 4.014 20 0 FIADLP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000483289765 1113481020 /nfs/dbraw/zinc/48/10/20/1113481020.db2.gz AKEFBBSZBQAAJS-NRFANRHFSA-N 2 2 358.574 4.014 20 0 FIADLP C[C@@H]([NH2+]Cc1nc2c(s1)C[C@H](C)CC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486561858 1113594900 /nfs/dbraw/zinc/59/49/00/1113594900.db2.gz GUKYESCTHJTKTD-LMMKCTJWSA-N 2 2 369.578 4.268 20 0 FIADLP C[C@@H]([NH2+]Cc1nc2c(s1)C[C@H](C)CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486561858 1113594903 /nfs/dbraw/zinc/59/49/03/1113594903.db2.gz GUKYESCTHJTKTD-LMMKCTJWSA-N 2 2 369.578 4.268 20 0 FIADLP Fc1ccccc1Oc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC000486796884 1113647999 /nfs/dbraw/zinc/64/79/99/1113647999.db2.gz CDFHVNWXOHIFIE-UHFFFAOYSA-N 2 2 374.419 4.489 20 0 FIADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3cc4ccc(F)cc4[nH]3)C1)CCCC2 ZINC000488519451 1113948738 /nfs/dbraw/zinc/94/87/38/1113948738.db2.gz RLKOYGVJLMBLFP-SFHVURJKSA-N 2 2 352.457 4.138 20 0 FIADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3cc4ccc(F)cc4[nH]3)C1)CCCC2 ZINC000488519451 1113948743 /nfs/dbraw/zinc/94/87/43/1113948743.db2.gz RLKOYGVJLMBLFP-SFHVURJKSA-N 2 2 352.457 4.138 20 0 FIADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCCO2 ZINC000489533287 1114128645 /nfs/dbraw/zinc/12/86/45/1114128645.db2.gz LTKHCDBAKMBFNU-OAQYLSRUSA-N 2 2 372.553 4.258 20 0 FIADLP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccccc1F ZINC000490124035 1114220798 /nfs/dbraw/zinc/22/07/98/1114220798.db2.gz IBXYDEBPPYGBJI-HSZRJFAPSA-N 2 2 369.528 4.204 20 0 FIADLP CC[N@H+](Cc1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1)C(C)C ZINC000588858027 1114660442 /nfs/dbraw/zinc/66/04/42/1114660442.db2.gz MJSGHBOTZXHWQE-UHFFFAOYSA-N 2 2 350.466 4.125 20 0 FIADLP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1)C(C)C ZINC000588858027 1114660445 /nfs/dbraw/zinc/66/04/45/1114660445.db2.gz MJSGHBOTZXHWQE-UHFFFAOYSA-N 2 2 350.466 4.125 20 0 FIADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000573018426 1115000694 /nfs/dbraw/zinc/00/06/94/1115000694.db2.gz NUSKWUXVEQLUNS-IVZVJUQRSA-N 2 2 357.448 4.390 20 0 FIADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000573018426 1115000696 /nfs/dbraw/zinc/00/06/96/1115000696.db2.gz NUSKWUXVEQLUNS-IVZVJUQRSA-N 2 2 357.448 4.390 20 0 FIADLP C[NH+](C)CCC[N@H+](C)Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000574082215 1115285166 /nfs/dbraw/zinc/28/51/66/1115285166.db2.gz RGLWELWDQPANNQ-UHFFFAOYSA-N 2 2 362.949 4.342 20 0 FIADLP C[NH+](C)CCC[N@@H+](C)Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000574082215 1115285172 /nfs/dbraw/zinc/28/51/72/1115285172.db2.gz RGLWELWDQPANNQ-UHFFFAOYSA-N 2 2 362.949 4.342 20 0 FIADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccccc21 ZINC000593691163 1115342369 /nfs/dbraw/zinc/34/23/69/1115342369.db2.gz ORMWKFRAPRRQOF-WOJBJXKFSA-N 2 2 372.553 4.409 20 0 FIADLP Brc1cccc2c(N3CC[C@H]([NH+]4CCCCC4)C3)cc[nH+]c12 ZINC000594006133 1115372006 /nfs/dbraw/zinc/37/20/06/1115372006.db2.gz NQLBFEKLPFILKO-AWEZNQCLSA-N 2 2 360.299 4.062 20 0 FIADLP CCOc1ccc(O)c(/C=[NH+]/CC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000060789479 1115707049 /nfs/dbraw/zinc/70/70/49/1115707049.db2.gz OXTWFNSPUMNHHS-KGENOOAVSA-N 2 2 358.507 4.184 20 0 FIADLP CCCCOc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000608067824 1116080718 /nfs/dbraw/zinc/08/07/18/1116080718.db2.gz USMLKSCCEVFQAG-SFHVURJKSA-N 2 2 357.498 4.046 20 0 FIADLP CCOc1cc2[nH+]ccc(N3CCC[C@H](n4cc[nH+]c4)C3)c2cc1OCC ZINC000608083108 1116081201 /nfs/dbraw/zinc/08/12/01/1116081201.db2.gz QDTZHQRZDMYKGS-INIZCTEOSA-N 2 2 366.465 4.070 20 0 FIADLP Brc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000608083241 1116081498 /nfs/dbraw/zinc/08/14/98/1116081498.db2.gz ZPGMWVPPNDIRST-CQSZACIVSA-N 2 2 357.255 4.035 20 0 FIADLP Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000608083180 1116081522 /nfs/dbraw/zinc/08/15/22/1116081522.db2.gz XURAUROPCMJQAY-CQSZACIVSA-N 2 2 358.392 4.183 20 0 FIADLP Cc1ccc2ncc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)n2c1 ZINC000509452861 1116198847 /nfs/dbraw/zinc/19/88/47/1116198847.db2.gz XUEBMIHRVLBQHF-OAQYLSRUSA-N 2 2 362.521 4.033 20 0 FIADLP Cc1ccc2ncc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)n2c1 ZINC000509452861 1116198849 /nfs/dbraw/zinc/19/88/49/1116198849.db2.gz XUEBMIHRVLBQHF-OAQYLSRUSA-N 2 2 362.521 4.033 20 0 FIADLP Cc1ccc2ncc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)n2c1 ZINC000509452860 1116198966 /nfs/dbraw/zinc/19/89/66/1116198966.db2.gz XUEBMIHRVLBQHF-NRFANRHFSA-N 2 2 362.521 4.033 20 0 FIADLP Cc1ccc2ncc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)n2c1 ZINC000509452860 1116198967 /nfs/dbraw/zinc/19/89/67/1116198967.db2.gz XUEBMIHRVLBQHF-NRFANRHFSA-N 2 2 362.521 4.033 20 0 FIADLP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000509451459 1116198974 /nfs/dbraw/zinc/19/89/74/1116198974.db2.gz UPPWRBZBSTUSHL-OAQYLSRUSA-N 2 2 354.542 4.163 20 0 FIADLP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000509451459 1116198975 /nfs/dbraw/zinc/19/89/75/1116198975.db2.gz UPPWRBZBSTUSHL-OAQYLSRUSA-N 2 2 354.542 4.163 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@@H]3c3ccccc3)[nH+]c2)CC1 ZINC000539691273 1116366232 /nfs/dbraw/zinc/36/62/32/1116366232.db2.gz XWJDDSPNWBYQBT-FGZHOGPDSA-N 2 2 364.537 4.360 20 0 FIADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OCCC(C)C ZINC000539817677 1116384536 /nfs/dbraw/zinc/38/45/36/1116384536.db2.gz UAQFCQJUPWVPQQ-FQEVSTJZSA-N 2 2 360.542 4.038 20 0 FIADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OCCC(C)C ZINC000539817677 1116384538 /nfs/dbraw/zinc/38/45/38/1116384538.db2.gz UAQFCQJUPWVPQQ-FQEVSTJZSA-N 2 2 360.542 4.038 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C[C@@H]1C ZINC000539820939 1116385837 /nfs/dbraw/zinc/38/58/37/1116385837.db2.gz MBZCJXIDVLMIAI-GHTZIAJQSA-N 2 2 354.542 4.300 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C[C@@H]1C ZINC000539820939 1116385839 /nfs/dbraw/zinc/38/58/39/1116385839.db2.gz MBZCJXIDVLMIAI-GHTZIAJQSA-N 2 2 354.542 4.300 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C[C@@H]1C ZINC000539820939 1116385841 /nfs/dbraw/zinc/38/58/41/1116385841.db2.gz MBZCJXIDVLMIAI-GHTZIAJQSA-N 2 2 354.542 4.300 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C[C@@H]1C ZINC000539820939 1116385843 /nfs/dbraw/zinc/38/58/43/1116385843.db2.gz MBZCJXIDVLMIAI-GHTZIAJQSA-N 2 2 354.542 4.300 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc(Cl)c1Cl ZINC000540157853 1117902205 /nfs/dbraw/zinc/90/22/05/1117902205.db2.gz QLEDUKVHCHDUJO-AFAVFJNCSA-N 2 2 357.325 4.022 20 0 FIADLP C[NH+](C)CC1CC[NH+](Cc2cc(Br)c(Cl)cc2F)CC1 ZINC001233441147 1117905571 /nfs/dbraw/zinc/90/55/71/1117905571.db2.gz RXJLCBPHUMRTCY-UHFFFAOYSA-N 2 2 363.702 4.015 20 0 FIADLP CCCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463071262 1117955869 /nfs/dbraw/zinc/95/58/69/1117955869.db2.gz JUVVPIXESVXVME-GHTZIAJQSA-N 2 2 353.510 4.013 20 0 FIADLP CCCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463071262 1117955871 /nfs/dbraw/zinc/95/58/71/1117955871.db2.gz JUVVPIXESVXVME-GHTZIAJQSA-N 2 2 353.510 4.013 20 0 FIADLP CCCCOc1ncccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463075688 1117959322 /nfs/dbraw/zinc/95/93/22/1117959322.db2.gz CBNWMLPVCLNZIZ-UHFFFAOYSA-N 2 2 367.537 4.057 20 0 FIADLP C[C@@H]1C[C@@H](NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463083733 1117965595 /nfs/dbraw/zinc/96/55/95/1117965595.db2.gz LTTKEFGNQBZSRI-YFXJRYMSSA-N 2 2 369.528 4.071 20 0 FIADLP C[C@@H]1C[C@@H](NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463083733 1117965598 /nfs/dbraw/zinc/96/55/98/1117965598.db2.gz LTTKEFGNQBZSRI-YFXJRYMSSA-N 2 2 369.528 4.071 20 0 FIADLP C[N@H+](Cc1cncc(C(F)(F)F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000463098533 1117971265 /nfs/dbraw/zinc/97/12/65/1117971265.db2.gz ZSWNJOQTDGFLCH-UHFFFAOYSA-N 2 2 363.427 4.197 20 0 FIADLP C[N@@H+](Cc1cncc(C(F)(F)F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000463098533 1117971268 /nfs/dbraw/zinc/97/12/68/1117971268.db2.gz ZSWNJOQTDGFLCH-UHFFFAOYSA-N 2 2 363.427 4.197 20 0 FIADLP Fc1ccc(SCCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000463135569 1117984565 /nfs/dbraw/zinc/98/45/65/1117984565.db2.gz CVSFCZQPZDEKGG-UHFFFAOYSA-N 2 2 364.452 4.314 20 0 FIADLP CC(C)COc1ccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000463156675 1117995570 /nfs/dbraw/zinc/99/55/70/1117995570.db2.gz ONTYWJBOKLSCPK-UHFFFAOYSA-N 2 2 372.475 4.270 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000463156822 1117995680 /nfs/dbraw/zinc/99/56/80/1117995680.db2.gz VTZOCQQZFPHBTP-LKUPVBHCSA-N 2 2 354.469 4.292 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)CC[N@H+]1Cc1ccccc1 ZINC000463156822 1117995681 /nfs/dbraw/zinc/99/56/81/1117995681.db2.gz VTZOCQQZFPHBTP-LKUPVBHCSA-N 2 2 354.469 4.292 20 0 FIADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCOc4ccc(F)cc43)CC2)cc1 ZINC000463157129 1117995709 /nfs/dbraw/zinc/99/57/09/1117995709.db2.gz WUCFSGQANBVLBZ-OAQYLSRUSA-N 2 2 372.459 4.085 20 0 FIADLP CSCc1cc(F)ccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463191731 1118009066 /nfs/dbraw/zinc/00/90/66/1118009066.db2.gz PPXKREHZEFFWSN-UHFFFAOYSA-N 2 2 372.553 4.485 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000463287541 1118083801 /nfs/dbraw/zinc/08/38/01/1118083801.db2.gz MUKUOTKJIMKEMU-BPXKWBHBSA-N 2 2 374.475 4.295 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000463287541 1118083807 /nfs/dbraw/zinc/08/38/07/1118083807.db2.gz MUKUOTKJIMKEMU-BPXKWBHBSA-N 2 2 374.475 4.295 20 0 FIADLP CCC1(CC)[C@H]([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)C[C@H]1OC ZINC000540594140 1118138492 /nfs/dbraw/zinc/13/84/92/1118138492.db2.gz YLFVMEWVDXSNQU-CEWLAPEOSA-N 2 2 374.569 4.070 20 0 FIADLP CC[NH+]1CCC([NH2+]Cc2cc(-c3c(OC)ccc4ccccc43)no2)CC1 ZINC000540918222 1118315663 /nfs/dbraw/zinc/31/56/63/1118315663.db2.gz SWKZUAXNFRLDHQ-UHFFFAOYSA-N 2 2 365.477 4.077 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(NC3CCC(C(F)(F)F)CC3)[nH+]c2)CC1 ZINC000464055856 1118427273 /nfs/dbraw/zinc/42/72/73/1118427273.db2.gz BDOQPLSQBDNKTA-UHFFFAOYSA-N 2 2 370.463 4.145 20 0 FIADLP Brc1cccc2c1CC[C@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541390365 1118491767 /nfs/dbraw/zinc/49/17/67/1118491767.db2.gz QEJANPHHRVGFCH-QGZVFWFLSA-N 2 2 374.307 4.473 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1)CCC2 ZINC000541543895 1118549399 /nfs/dbraw/zinc/54/93/99/1118549399.db2.gz UPYUSJBTYXEJEI-CTNGQTDRSA-N 2 2 364.468 4.291 20 0 FIADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542133584 1118810472 /nfs/dbraw/zinc/81/04/72/1118810472.db2.gz WXWFBKQBMNBYOH-QGZVFWFLSA-N 2 2 365.481 4.187 20 0 FIADLP Brc1ccc(C2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CC2)cc1 ZINC000542304030 1118901724 /nfs/dbraw/zinc/90/17/24/1118901724.db2.gz KFJZWVUEKVAXAX-UHFFFAOYSA-N 2 2 374.307 4.475 20 0 FIADLP COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000151694574 1118960448 /nfs/dbraw/zinc/96/04/48/1118960448.db2.gz WPHRPEZHLNMVIP-IAGOWNOFSA-N 2 2 365.477 4.171 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2ccccc2Cl)C1 ZINC000303586348 1118968444 /nfs/dbraw/zinc/96/84/44/1118968444.db2.gz LIYYHEPQEFOPPX-QZTJIDSGSA-N 2 2 350.934 4.305 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2ccccc2Cl)C1 ZINC000303586348 1118968446 /nfs/dbraw/zinc/96/84/46/1118968446.db2.gz LIYYHEPQEFOPPX-QZTJIDSGSA-N 2 2 350.934 4.305 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000303586348 1118968448 /nfs/dbraw/zinc/96/84/48/1118968448.db2.gz LIYYHEPQEFOPPX-QZTJIDSGSA-N 2 2 350.934 4.305 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000303586348 1118968450 /nfs/dbraw/zinc/96/84/50/1118968450.db2.gz LIYYHEPQEFOPPX-QZTJIDSGSA-N 2 2 350.934 4.305 20 0 FIADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000491829944 1118984141 /nfs/dbraw/zinc/98/41/41/1118984141.db2.gz BJCAPKCWFHOZKY-MRXNPFEDSA-N 2 2 361.917 4.315 20 0 FIADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000491829944 1118984143 /nfs/dbraw/zinc/98/41/43/1118984143.db2.gz BJCAPKCWFHOZKY-MRXNPFEDSA-N 2 2 361.917 4.315 20 0 FIADLP COCCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000177281104 1119321648 /nfs/dbraw/zinc/32/16/48/1119321648.db2.gz MBCDKSLEVPROKB-QFIPXVFZSA-N 2 2 356.485 4.006 20 0 FIADLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168456794 1119413677 /nfs/dbraw/zinc/41/36/77/1119413677.db2.gz WJCUVSKZKBEFGS-KRWDZBQOSA-N 2 2 356.485 4.020 20 0 FIADLP COC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000493970431 1119518339 /nfs/dbraw/zinc/51/83/39/1119518339.db2.gz SDHYTZXRUJSAJW-FQEVSTJZSA-N 2 2 350.934 4.414 20 0 FIADLP Cc1nc2ccc(C[NH2+]C3CC[NH+]([C@H](C)c4ccncc4)CC3)cc2s1 ZINC000494173468 1119550863 /nfs/dbraw/zinc/55/08/63/1119550863.db2.gz ROQDXPGUIYIUGS-OAHLLOKOSA-N 2 2 366.534 4.315 20 0 FIADLP Clc1cc(C[NH2+]CCCNc2cccc[nH+]2)ccc1Br ZINC000494181433 1119551439 /nfs/dbraw/zinc/55/14/39/1119551439.db2.gz BPAIPKOSGYOTIC-UHFFFAOYSA-N 2 2 354.679 4.089 20 0 FIADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000183708715 1119580130 /nfs/dbraw/zinc/58/01/30/1119580130.db2.gz AJDJXWIADRUNBS-UHFFFAOYSA-N 2 2 370.496 4.378 20 0 FIADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1CCSCC1 ZINC000187230513 1119774392 /nfs/dbraw/zinc/77/43/92/1119774392.db2.gz YIIHHQWIECYJRV-MSOLQXFVSA-N 2 2 362.583 4.008 20 0 FIADLP Cc1nc2ccc(C[NH2+]CCc3[nH+]ccn3Cc3ccccc3)cc2s1 ZINC000494367854 1119836985 /nfs/dbraw/zinc/83/69/85/1119836985.db2.gz LECHGSQEVIDTTA-UHFFFAOYSA-N 2 2 362.502 4.182 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494481468 1119876940 /nfs/dbraw/zinc/87/69/40/1119876940.db2.gz AIJQKRHIJASPAB-NHCUHLMSSA-N 2 2 367.880 4.454 20 0 FIADLP C[C@H]1CC[C@H](C[NH+]2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)O1 ZINC000190928713 1119954141 /nfs/dbraw/zinc/95/41/41/1119954141.db2.gz ZQOUOVQYHYSZSR-HNAYVOBHSA-N 2 2 370.459 4.169 20 0 FIADLP C[C@H]1CC[C@H](C[NH+]2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)O1 ZINC000190928713 1119954144 /nfs/dbraw/zinc/95/41/44/1119954144.db2.gz ZQOUOVQYHYSZSR-HNAYVOBHSA-N 2 2 370.459 4.169 20 0 FIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(Br)o2)CC1 ZINC000191092320 1119960940 /nfs/dbraw/zinc/96/09/40/1119960940.db2.gz QZALZPZDFKCXCM-CQSZACIVSA-N 2 2 363.299 4.357 20 0 FIADLP COC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000193966524 1120220900 /nfs/dbraw/zinc/22/09/00/1120220900.db2.gz YKCBAFWPZNLIRI-HXUWFJFHSA-N 2 2 355.869 4.062 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000494993112 1120421694 /nfs/dbraw/zinc/42/16/94/1120421694.db2.gz BBCKQEBWXPGUCS-LMMKCTJWSA-N 2 2 351.485 4.097 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000494993112 1120421697 /nfs/dbraw/zinc/42/16/97/1120421697.db2.gz BBCKQEBWXPGUCS-LMMKCTJWSA-N 2 2 351.485 4.097 20 0 FIADLP COCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C)o1 ZINC000495386636 1120765442 /nfs/dbraw/zinc/76/54/42/1120765442.db2.gz XKYNKSPWYRVPEI-QMMLZNLJSA-N 2 2 356.510 4.308 20 0 FIADLP COCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C)o1 ZINC000495386636 1120765446 /nfs/dbraw/zinc/76/54/46/1120765446.db2.gz XKYNKSPWYRVPEI-QMMLZNLJSA-N 2 2 356.510 4.308 20 0 FIADLP Fc1ccc(C2=CC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000495391801 1120771601 /nfs/dbraw/zinc/77/16/01/1120771601.db2.gz SKRIGLZZNHUZNT-FQEVSTJZSA-N 2 2 351.469 4.415 20 0 FIADLP c1cn(-c2ccccc2-c2noc([C@@H]3CC[C@H](c4ccccc4)[NH2+]C3)n2)c[nH+]1 ZINC001212207963 1120987002 /nfs/dbraw/zinc/98/70/02/1120987002.db2.gz NLVJVEQVCSCDIT-IEBWSBKVSA-N 2 2 371.444 4.131 20 0 FIADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC[NH+]2CCCC2)c1 ZINC000061030883 1121505734 /nfs/dbraw/zinc/50/57/34/1121505734.db2.gz ZXUHSXIMJWVNNI-UHFFFAOYSA-N 2 2 374.532 4.092 20 0 FIADLP C[C@@H](C[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1)Cn1cc[nH+]c1 ZINC000062254319 1121538632 /nfs/dbraw/zinc/53/86/32/1121538632.db2.gz ZCJDYMYKXMYKDR-HNNXBMFYSA-N 2 2 357.404 4.380 20 0 FIADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000124350493 1121686758 /nfs/dbraw/zinc/68/67/58/1121686758.db2.gz NHOGMPFYMYVKFM-AWEZNQCLSA-N 2 2 358.555 4.464 20 0 FIADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000124655633 1121711489 /nfs/dbraw/zinc/71/14/89/1121711489.db2.gz NTKPWCDLPFYIAK-OAHLLOKOSA-N 2 2 374.326 4.034 20 0 FIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OCc3cccs3)c(OC)c2)CC1 ZINC000125261576 1121762221 /nfs/dbraw/zinc/76/22/21/1121762221.db2.gz MBTMGCNGCOANDO-UHFFFAOYSA-N 2 2 374.550 4.252 20 0 FIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OCc3cccs3)c(OC)c2)CC1 ZINC000125261576 1121762229 /nfs/dbraw/zinc/76/22/29/1121762229.db2.gz MBTMGCNGCOANDO-UHFFFAOYSA-N 2 2 374.550 4.252 20 0 FIADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000125497868 1121785306 /nfs/dbraw/zinc/78/53/06/1121785306.db2.gz VHOVMCHQRJKWMR-GOSISDBHSA-N 2 2 368.308 4.352 20 0 FIADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000125497868 1121785315 /nfs/dbraw/zinc/78/53/15/1121785315.db2.gz VHOVMCHQRJKWMR-GOSISDBHSA-N 2 2 368.308 4.352 20 0 FIADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000916835840 1121877700 /nfs/dbraw/zinc/87/77/00/1121877700.db2.gz ATHFQJLKRVCVGB-KRWDZBQOSA-N 2 2 374.960 4.023 20 0 FIADLP c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126673188 1121974740 /nfs/dbraw/zinc/97/47/40/1121974740.db2.gz JNJASUCDTCBVDO-LSDHHAIUSA-N 2 2 353.491 4.273 20 0 FIADLP c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126673188 1121974745 /nfs/dbraw/zinc/97/47/45/1121974745.db2.gz JNJASUCDTCBVDO-LSDHHAIUSA-N 2 2 353.491 4.273 20 0 FIADLP CCc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)o1 ZINC000126778893 1121990746 /nfs/dbraw/zinc/99/07/46/1121990746.db2.gz FCXOLFACBVRWRJ-CVEARBPZSA-N 2 2 359.489 4.145 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccccc2F)s1 ZINC000765792182 1121997803 /nfs/dbraw/zinc/99/78/03/1121997803.db2.gz PMATWTRQXKZETK-ARFHVFGLSA-N 2 2 360.498 4.068 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccccc2F)s1 ZINC000765792182 1121997805 /nfs/dbraw/zinc/99/78/05/1121997805.db2.gz PMATWTRQXKZETK-ARFHVFGLSA-N 2 2 360.498 4.068 20 0 FIADLP COc1ccc(OC(F)F)c(C[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000497318566 1122020000 /nfs/dbraw/zinc/02/00/00/1122020000.db2.gz CZOVPCLIMTUSHW-UHFFFAOYSA-N 2 2 356.457 4.041 20 0 FIADLP COc1ccc(OC(F)F)c(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000497318566 1122020011 /nfs/dbraw/zinc/02/00/11/1122020011.db2.gz CZOVPCLIMTUSHW-UHFFFAOYSA-N 2 2 356.457 4.041 20 0 FIADLP Clc1cccc2c1OCCC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000497411973 1122221697 /nfs/dbraw/zinc/22/16/97/1122221697.db2.gz VASQWZHTEJHCBJ-GOSISDBHSA-N 2 2 357.885 4.207 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444790606 1122619014 /nfs/dbraw/zinc/61/90/14/1122619014.db2.gz IYHILEZVVDHISD-BZSNNMDCSA-N 2 2 368.525 4.140 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444790606 1122619016 /nfs/dbraw/zinc/61/90/16/1122619016.db2.gz IYHILEZVVDHISD-BZSNNMDCSA-N 2 2 368.525 4.140 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2sccc2Br)C[C@H]1c1ccccc1 ZINC000556119106 1122670507 /nfs/dbraw/zinc/67/05/07/1122670507.db2.gz PEGIXCODFXQDOO-HOCLYGCPSA-N 2 2 365.340 4.436 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]Cc2sccc2Br)C[C@H]1c1ccccc1 ZINC000556119106 1122670510 /nfs/dbraw/zinc/67/05/10/1122670510.db2.gz PEGIXCODFXQDOO-HOCLYGCPSA-N 2 2 365.340 4.436 20 0 FIADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000129862243 1122705351 /nfs/dbraw/zinc/70/53/51/1122705351.db2.gz CJTVLLUZEIJSLW-LPHOPBHVSA-N 2 2 365.481 4.140 20 0 FIADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000129862243 1122705355 /nfs/dbraw/zinc/70/53/55/1122705355.db2.gz CJTVLLUZEIJSLW-LPHOPBHVSA-N 2 2 365.481 4.140 20 0 FIADLP FC(F)(F)Oc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000556808436 1123105683 /nfs/dbraw/zinc/10/56/83/1123105683.db2.gz FEPWVEKHOQBSJJ-UHFFFAOYSA-N 2 2 351.372 4.057 20 0 FIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cc1N(C)C ZINC000132262132 1123236634 /nfs/dbraw/zinc/23/66/34/1123236634.db2.gz IIFKHJMTTVNMLR-KRWDZBQOSA-N 2 2 366.484 4.030 20 0 FIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CSCCc3ccccc32)[nH+]1 ZINC000132264934 1123237206 /nfs/dbraw/zinc/23/72/06/1123237206.db2.gz SFMITTJLDQJPAO-OAQYLSRUSA-N 2 2 363.530 4.094 20 0 FIADLP CCCOc1ncccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499145339 1123287454 /nfs/dbraw/zinc/28/74/54/1123287454.db2.gz GQNXFTYZLPHOMP-DKUWSORSSA-N 2 2 365.521 4.156 20 0 FIADLP CCCOc1ncccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499145339 1123287456 /nfs/dbraw/zinc/28/74/56/1123287456.db2.gz GQNXFTYZLPHOMP-DKUWSORSSA-N 2 2 365.521 4.156 20 0 FIADLP CC[NH+]1CCC([NH2+]Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000236921322 1123584057 /nfs/dbraw/zinc/58/40/57/1123584057.db2.gz GOGYNWKEQPLSMA-UHFFFAOYSA-N 2 2 358.913 4.493 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@H](C)C1 ZINC000137643919 1123979048 /nfs/dbraw/zinc/97/90/48/1123979048.db2.gz IMTNTSCEJSMVMX-DOMZBBRYSA-N 2 2 355.404 4.009 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@H](C)C1 ZINC000137643919 1123979050 /nfs/dbraw/zinc/97/90/50/1123979050.db2.gz IMTNTSCEJSMVMX-DOMZBBRYSA-N 2 2 355.404 4.009 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@H](C)C1 ZINC000137643919 1123979052 /nfs/dbraw/zinc/97/90/52/1123979052.db2.gz IMTNTSCEJSMVMX-DOMZBBRYSA-N 2 2 355.404 4.009 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@H](C)C1 ZINC000137643919 1123979053 /nfs/dbraw/zinc/97/90/53/1123979053.db2.gz IMTNTSCEJSMVMX-DOMZBBRYSA-N 2 2 355.404 4.009 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)o1 ZINC000245561716 1124121130 /nfs/dbraw/zinc/12/11/30/1124121130.db2.gz ODTADJOMWFVQDI-SJLPKXTDSA-N 2 2 356.514 4.065 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)o1 ZINC000245561716 1124121139 /nfs/dbraw/zinc/12/11/39/1124121139.db2.gz ODTADJOMWFVQDI-SJLPKXTDSA-N 2 2 356.514 4.065 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000245561716 1124121151 /nfs/dbraw/zinc/12/11/51/1124121151.db2.gz ODTADJOMWFVQDI-SJLPKXTDSA-N 2 2 356.514 4.065 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000245561716 1124121160 /nfs/dbraw/zinc/12/11/60/1124121160.db2.gz ODTADJOMWFVQDI-SJLPKXTDSA-N 2 2 356.514 4.065 20 0 FIADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000245561901 1124121415 /nfs/dbraw/zinc/12/14/15/1124121415.db2.gz CJTVLLUZEIJSLW-VQIMIIECSA-N 2 2 365.481 4.140 20 0 FIADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000245561901 1124121422 /nfs/dbraw/zinc/12/14/22/1124121422.db2.gz CJTVLLUZEIJSLW-VQIMIIECSA-N 2 2 365.481 4.140 20 0 FIADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245677440 1124186699 /nfs/dbraw/zinc/18/66/99/1124186699.db2.gz IGNLUJIJNRJWKI-XXTHSBEZSA-N 3 2 355.570 4.036 20 0 FIADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245677440 1124186707 /nfs/dbraw/zinc/18/67/07/1124186707.db2.gz IGNLUJIJNRJWKI-XXTHSBEZSA-N 3 2 355.570 4.036 20 0 FIADLP C[C@H]1CCCC[NH+]1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245677440 1124186716 /nfs/dbraw/zinc/18/67/16/1124186716.db2.gz IGNLUJIJNRJWKI-XXTHSBEZSA-N 3 2 355.570 4.036 20 0 FIADLP C[C@H]1CCCC[NH+]1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245677440 1124186723 /nfs/dbraw/zinc/18/67/23/1124186723.db2.gz IGNLUJIJNRJWKI-XXTHSBEZSA-N 3 2 355.570 4.036 20 0 FIADLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C12CCCCC2 ZINC000245934637 1124290139 /nfs/dbraw/zinc/29/01/39/1124290139.db2.gz SZYQBXGOSSRHQJ-STZQEDGTSA-N 2 2 371.569 4.325 20 0 FIADLP CSC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000542848302 1124449019 /nfs/dbraw/zinc/44/90/19/1124449019.db2.gz XLRQJYKGBZFZGH-INIZCTEOSA-N 2 2 357.445 4.376 20 0 FIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246701763 1124550790 /nfs/dbraw/zinc/55/07/90/1124550790.db2.gz MXYQCEPNOPPLFJ-UWWQBHOKSA-N 2 2 359.901 4.472 20 0 FIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246701763 1124550799 /nfs/dbraw/zinc/55/07/99/1124550799.db2.gz MXYQCEPNOPPLFJ-UWWQBHOKSA-N 2 2 359.901 4.472 20 0 FIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246701763 1124550805 /nfs/dbraw/zinc/55/08/05/1124550805.db2.gz MXYQCEPNOPPLFJ-UWWQBHOKSA-N 2 2 359.901 4.472 20 0 FIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246701763 1124550809 /nfs/dbraw/zinc/55/08/09/1124550809.db2.gz MXYQCEPNOPPLFJ-UWWQBHOKSA-N 2 2 359.901 4.472 20 0 FIADLP CSCc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000921797360 1124718294 /nfs/dbraw/zinc/71/82/94/1124718294.db2.gz BLZDUYKTRXEMKY-FQEVSTJZSA-N 2 2 351.519 4.357 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248395277 1124760670 /nfs/dbraw/zinc/76/06/70/1124760670.db2.gz GEMFAJHZLWHZTL-BJLQDIEVSA-N 3 2 352.526 4.176 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000089541498 1124914714 /nfs/dbraw/zinc/91/47/14/1124914714.db2.gz BLDCIHWZIMDNDX-UTKZUKDTSA-N 2 2 357.929 4.168 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000089541498 1124914715 /nfs/dbraw/zinc/91/47/15/1124914715.db2.gz BLDCIHWZIMDNDX-UTKZUKDTSA-N 2 2 357.929 4.168 20 0 FIADLP C[C@H](C[NH+](C)[C@@H](C)c1cccc(O)c1)C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000251129393 1124980522 /nfs/dbraw/zinc/98/05/22/1124980522.db2.gz TTXPSQAFDMWTCM-BCDXTJNWSA-N 2 2 356.510 4.420 20 0 FIADLP C[C@H](C[NH+](C)[C@@H](C)c1cccc(O)c1)C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000251129393 1124980527 /nfs/dbraw/zinc/98/05/27/1124980527.db2.gz TTXPSQAFDMWTCM-BCDXTJNWSA-N 2 2 356.510 4.420 20 0 FIADLP C[C@H](c1cccc(O)c1)[NH+](C)C[C@H](C)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000251129393 1124980532 /nfs/dbraw/zinc/98/05/32/1124980532.db2.gz TTXPSQAFDMWTCM-BCDXTJNWSA-N 2 2 356.510 4.420 20 0 FIADLP C[C@H](c1cccc(O)c1)[NH+](C)C[C@H](C)C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000251129393 1124980537 /nfs/dbraw/zinc/98/05/37/1124980537.db2.gz TTXPSQAFDMWTCM-BCDXTJNWSA-N 2 2 356.510 4.420 20 0 FIADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090657224 1125011313 /nfs/dbraw/zinc/01/13/13/1125011313.db2.gz OOMDPBSWBNEWJP-XMSQKQJNSA-N 2 2 363.505 4.325 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1nc2c(s1)CCCC2 ZINC000093396717 1125318214 /nfs/dbraw/zinc/31/82/14/1125318214.db2.gz SHZCJTJRXIPUHD-OAHLLOKOSA-N 2 2 352.507 4.118 20 0 FIADLP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(C)ccc1OC ZINC000093399248 1125318540 /nfs/dbraw/zinc/31/85/40/1125318540.db2.gz PAJDOSLZAWTAFY-JOCHJYFZSA-N 2 2 368.521 4.077 20 0 FIADLP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602565034 567995505 /nfs/dbraw/zinc/99/55/05/567995505.db2.gz OJAQVGHIWCHJAY-YQFXHGLYSA-N 2 2 374.594 4.024 20 0 FIADLP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602565034 567995506 /nfs/dbraw/zinc/99/55/06/567995506.db2.gz OJAQVGHIWCHJAY-YQFXHGLYSA-N 2 2 374.594 4.024 20 0 FIADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CCS2 ZINC000187006090 568042575 /nfs/dbraw/zinc/04/25/75/568042575.db2.gz USXPSCHKERYODU-IBGZPJMESA-N 2 2 353.535 4.494 20 0 FIADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C1CC[NH+](Cc3ccncc3)CC1)CCS2 ZINC000187027392 568050190 /nfs/dbraw/zinc/05/01/90/568050190.db2.gz VVNJESGRCDQTMZ-NRFANRHFSA-N 2 2 367.562 4.490 20 0 FIADLP c1coc(-c2nc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cs2)c1 ZINC000067968468 568082643 /nfs/dbraw/zinc/08/26/43/568082643.db2.gz OHXHVDSCCAATRY-UHFFFAOYSA-N 2 2 367.518 4.200 20 0 FIADLP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000603511196 568110606 /nfs/dbraw/zinc/11/06/06/568110606.db2.gz ZZQHYGDKPJEUEQ-OLZOCXBDSA-N 2 2 365.251 4.311 20 0 FIADLP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000603511196 568110607 /nfs/dbraw/zinc/11/06/07/568110607.db2.gz ZZQHYGDKPJEUEQ-OLZOCXBDSA-N 2 2 365.251 4.311 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000604771531 568363212 /nfs/dbraw/zinc/36/32/12/568363212.db2.gz HKWZSCAZYVIJQH-IFXJQAMLSA-N 2 2 364.320 4.389 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000604771531 568363213 /nfs/dbraw/zinc/36/32/13/568363213.db2.gz HKWZSCAZYVIJQH-IFXJQAMLSA-N 2 2 364.320 4.389 20 0 FIADLP Brc1ccc(/C=C\CC[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000604998195 568508605 /nfs/dbraw/zinc/50/86/05/568508605.db2.gz JEQCETUHXKFQMR-UUCCBKELSA-N 2 2 363.343 4.413 20 0 FIADLP Brc1ccc(/C=C\CC[N@H+]2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000604998195 568508607 /nfs/dbraw/zinc/50/86/07/568508607.db2.gz JEQCETUHXKFQMR-UUCCBKELSA-N 2 2 363.343 4.413 20 0 FIADLP Clc1ccc(COc2ccc(C[NH2+]CCCn3cc[nH+]c3)cc2)cc1 ZINC000010313983 570699793 /nfs/dbraw/zinc/69/97/93/570699793.db2.gz KYNSTDFTQGSMCH-UHFFFAOYSA-N 2 2 355.869 4.295 20 0 FIADLP Cc1ccc2cc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2c1 ZINC001164857809 720958288 /nfs/dbraw/zinc/95/82/88/720958288.db2.gz HJTQYMYHBIHXMU-KRWDZBQOSA-N 2 2 363.509 4.161 20 0 FIADLP Cc1ccc2cc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2c1 ZINC001164857809 720958303 /nfs/dbraw/zinc/95/83/03/720958303.db2.gz HJTQYMYHBIHXMU-KRWDZBQOSA-N 2 2 363.509 4.161 20 0 FIADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc(C3CC3)[nH+]1)CC2 ZINC001164794834 721503843 /nfs/dbraw/zinc/50/38/43/721503843.db2.gz DVIHRIRZDHIWPW-UHFFFAOYSA-N 2 2 362.521 4.235 20 0 FIADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc(C3CC3)[nH+]1)CC2 ZINC001164794834 721503848 /nfs/dbraw/zinc/50/38/48/721503848.db2.gz DVIHRIRZDHIWPW-UHFFFAOYSA-N 2 2 362.521 4.235 20 0 FIADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000093644758 1125471665 /nfs/dbraw/zinc/47/16/65/1125471665.db2.gz XYMVFELBMIXKHW-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000093644758 1125471671 /nfs/dbraw/zinc/47/16/71/1125471671.db2.gz XYMVFELBMIXKHW-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000093644758 1125471675 /nfs/dbraw/zinc/47/16/75/1125471675.db2.gz XYMVFELBMIXKHW-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000093644758 1125471678 /nfs/dbraw/zinc/47/16/78/1125471678.db2.gz XYMVFELBMIXKHW-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1OC(F)(F)F ZINC000152746000 1125640759 /nfs/dbraw/zinc/64/07/59/1125640759.db2.gz ZXMCRQIABIZRDS-ZDUSSCGKSA-N 2 2 353.388 4.011 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@H](C)c1nc2ccccc2s1 ZINC000152780708 1125650768 /nfs/dbraw/zinc/65/07/68/1125650768.db2.gz GKXADKLDRMTPSD-LSDHHAIUSA-N 2 2 354.523 4.153 20 0 FIADLP COc1ccc([C@H](C)[NH2+]Cc2ncc(C)s2)cc1C[NH+]1CCCCC1 ZINC000183035023 1125728192 /nfs/dbraw/zinc/72/81/92/1125728192.db2.gz UGSHBARFPDEPRH-INIZCTEOSA-N 2 2 359.539 4.297 20 0 FIADLP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCCOc4ccccc43)CC2)cc1 ZINC000153251375 1125764956 /nfs/dbraw/zinc/76/49/56/1125764956.db2.gz XGGMWVJLRZYQJC-QFIPXVFZSA-N 2 2 350.506 4.197 20 0 FIADLP c1cn(-c2ccccc2C[NH2+]Cc2ccc(Sc3ccccn3)o2)c[nH+]1 ZINC000510142322 1080338513 /nfs/dbraw/zinc/33/85/13/1080338513.db2.gz FVEIAXGIGUIHFZ-UHFFFAOYSA-N 2 2 362.458 4.301 20 0 FIADLP FC(F)(F)c1cc(C[NH2+]CCCCn2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC000326933778 1080350765 /nfs/dbraw/zinc/35/07/65/1080350765.db2.gz DDKOUICEUBCUER-UHFFFAOYSA-N 2 2 365.321 4.491 20 0 FIADLP Fc1cc(Br)ccc1[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000179992123 1080403422 /nfs/dbraw/zinc/40/34/22/1080403422.db2.gz CVQWCVXYSJEYRX-SFHVURJKSA-N 2 2 374.257 4.164 20 0 FIADLP Cc1cccc2c(C)cc(N3Cc4ccccc4C4(CC[NH2+]CC4)C3)[nH+]c12 ZINC001167159489 1080766634 /nfs/dbraw/zinc/76/66/34/1080766634.db2.gz IGOLLFVLNFBJCV-UHFFFAOYSA-N 2 2 357.501 4.493 20 0 FIADLP CC(C)C[N@H+](CCc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001167193531 1080820811 /nfs/dbraw/zinc/82/08/11/1080820811.db2.gz ZKCYGDNGNUIWRR-UHFFFAOYSA-N 2 2 366.549 4.220 20 0 FIADLP CC(C)C[N@@H+](CCc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001167193531 1080820816 /nfs/dbraw/zinc/82/08/16/1080820816.db2.gz ZKCYGDNGNUIWRR-UHFFFAOYSA-N 2 2 366.549 4.220 20 0 FIADLP Fc1ccc(Br)cc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000237724132 1080992840 /nfs/dbraw/zinc/99/28/40/1080992840.db2.gz JUVPZOLXHXUPNP-UHFFFAOYSA-N 2 2 369.322 4.475 20 0 FIADLP FC(F)(F)Oc1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000237719155 1080992865 /nfs/dbraw/zinc/99/28/65/1080992865.db2.gz MGWAUAGUCPYWFL-UHFFFAOYSA-N 2 2 356.432 4.472 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cccnc1Cl ZINC000247224858 1081075584 /nfs/dbraw/zinc/07/55/84/1081075584.db2.gz XXCZDGKUCXXPGI-BRWVUGGUSA-N 2 2 373.928 4.195 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000655680545 1081109107 /nfs/dbraw/zinc/10/91/07/1081109107.db2.gz PLBOJUONOIQUTF-AAEUAGOBSA-N 2 2 361.288 4.036 20 0 FIADLP Cc1ccccc1Oc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655712033 1081130414 /nfs/dbraw/zinc/13/04/14/1081130414.db2.gz LHGOGTZSRFMZAG-OAQYLSRUSA-N 2 2 366.505 4.130 20 0 FIADLP CCOc1ccccc1[C@@H](CC(C)C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655719400 1081138507 /nfs/dbraw/zinc/13/85/07/1081138507.db2.gz SOMGNARIBPRPCI-TZIWHRDSSA-N 2 2 360.542 4.015 20 0 FIADLP Cc1cc(Br)c(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1Cl ZINC001648832869 1081272093 /nfs/dbraw/zinc/27/20/93/1081272093.db2.gz PVNMPMWRNBRINZ-LBPRGKRZSA-N 2 2 359.739 4.232 20 0 FIADLP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001648879321 1081341083 /nfs/dbraw/zinc/34/10/83/1081341083.db2.gz XYRMCRPGTLDZOK-OAHLLOKOSA-N 2 2 368.506 4.208 20 0 FIADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000122887038 1081415871 /nfs/dbraw/zinc/41/58/71/1081415871.db2.gz AWAZIWWBUXKLOK-SFHVURJKSA-N 2 2 369.900 4.326 20 0 FIADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000122887038 1081415873 /nfs/dbraw/zinc/41/58/73/1081415873.db2.gz AWAZIWWBUXKLOK-SFHVURJKSA-N 2 2 369.900 4.326 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cc(C)sc3C)CC2)cc1 ZINC000580035895 1081518227 /nfs/dbraw/zinc/51/82/27/1081518227.db2.gz IMXWEFGTTXMSIL-UHFFFAOYSA-N 2 2 371.550 4.078 20 0 FIADLP Brc1cc(NC2=CC[C@H]([NH+]3CCCC3)CC2)c2[nH+]ccn2c1 ZINC001210706320 1081558699 /nfs/dbraw/zinc/55/86/99/1081558699.db2.gz WAIXUXDQXIZPLR-HNNXBMFYSA-N 2 2 361.287 4.041 20 0 FIADLP CC[N@@H+](Cc1ccc2cnccc2c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000683831223 1081739169 /nfs/dbraw/zinc/73/91/69/1081739169.db2.gz NKPWTQFXTKNQNB-UHFFFAOYSA-N 2 2 360.505 4.368 20 0 FIADLP CC[N@H+](Cc1ccc2cnccc2c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000683831223 1081739174 /nfs/dbraw/zinc/73/91/74/1081739174.db2.gz NKPWTQFXTKNQNB-UHFFFAOYSA-N 2 2 360.505 4.368 20 0 FIADLP c1cn([C@H]2CCc3ccccc3[C@H]2[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c[nH+]1 ZINC000580245183 1081773693 /nfs/dbraw/zinc/77/36/93/1081773693.db2.gz CVKJXCKEXDJYPY-NJRJFZHGSA-N 2 2 365.521 4.297 20 0 FIADLP Cc1cc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc(C)c1F ZINC001143381435 1082204012 /nfs/dbraw/zinc/20/40/12/1082204012.db2.gz AHBQKSQRMAIAIB-UHFFFAOYSA-N 2 2 352.497 4.465 20 0 FIADLP Cc1cc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)cc(C)c1F ZINC001143381435 1082204016 /nfs/dbraw/zinc/20/40/16/1082204016.db2.gz AHBQKSQRMAIAIB-UHFFFAOYSA-N 2 2 352.497 4.465 20 0 FIADLP CCCCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccc(Cl)cc1 ZINC000430578519 1082515316 /nfs/dbraw/zinc/51/53/16/1082515316.db2.gz ZDLMITCKTCZPMR-UHFFFAOYSA-N 2 2 350.894 4.109 20 0 FIADLP CCCCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccc(Cl)cc1 ZINC000430578519 1082515319 /nfs/dbraw/zinc/51/53/19/1082515319.db2.gz ZDLMITCKTCZPMR-UHFFFAOYSA-N 2 2 350.894 4.109 20 0 FIADLP C[C@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000090228705 1082688425 /nfs/dbraw/zinc/68/84/25/1082688425.db2.gz RUXXTMOXNZLDSB-LBPRGKRZSA-N 2 2 370.390 4.034 20 0 FIADLP C[C@@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000090228708 1082688455 /nfs/dbraw/zinc/68/84/55/1082688455.db2.gz RUXXTMOXNZLDSB-GFCCVEGCSA-N 2 2 370.390 4.034 20 0 FIADLP COC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(Cl)c1 ZINC000581695837 1082818446 /nfs/dbraw/zinc/81/84/46/1082818446.db2.gz GNSOVZMIOGKGTD-FQEVSTJZSA-N 2 2 355.869 4.062 20 0 FIADLP CCCCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OCC ZINC000510526280 1083138003 /nfs/dbraw/zinc/13/80/03/1083138003.db2.gz ZYRMBEAXSZBSSY-SFHVURJKSA-N 2 2 357.498 4.367 20 0 FIADLP CCCCOc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OCC ZINC000510526280 1083138005 /nfs/dbraw/zinc/13/80/05/1083138005.db2.gz ZYRMBEAXSZBSSY-SFHVURJKSA-N 2 2 357.498 4.367 20 0 FIADLP CCCCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OCC ZINC000510526279 1083138067 /nfs/dbraw/zinc/13/80/67/1083138067.db2.gz ZYRMBEAXSZBSSY-GOSISDBHSA-N 2 2 357.498 4.367 20 0 FIADLP CCCCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OCC ZINC000510526279 1083138070 /nfs/dbraw/zinc/13/80/70/1083138070.db2.gz ZYRMBEAXSZBSSY-GOSISDBHSA-N 2 2 357.498 4.367 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000089513152 1083254641 /nfs/dbraw/zinc/25/46/41/1083254641.db2.gz LDDCYMWESNFPRG-MRXNPFEDSA-N 2 2 367.331 4.125 20 0 FIADLP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCCS2 ZINC000658296287 1083398877 /nfs/dbraw/zinc/39/88/77/1083398877.db2.gz YJEUVHWOXRZRLJ-WMZOPIPTSA-N 2 2 366.958 4.110 20 0 FIADLP Fc1ccccc1COc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092659195 1083401698 /nfs/dbraw/zinc/40/16/98/1083401698.db2.gz WSUSRZIZDSXLAJ-UHFFFAOYSA-N 2 2 365.452 4.438 20 0 FIADLP c1cc(-c2ncc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)s2)cs1 ZINC000092812662 1083414492 /nfs/dbraw/zinc/41/44/92/1083414492.db2.gz XOIWKXDHLMICIB-AWEZNQCLSA-N 2 2 356.520 4.201 20 0 FIADLP c1cc(-c2ncc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)s2)cs1 ZINC000092812662 1083414496 /nfs/dbraw/zinc/41/44/96/1083414496.db2.gz XOIWKXDHLMICIB-AWEZNQCLSA-N 2 2 356.520 4.201 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)o1 ZINC000092587907 1083445335 /nfs/dbraw/zinc/44/53/35/1083445335.db2.gz ODTADJOMWFVQDI-WMZOPIPTSA-N 2 2 356.514 4.065 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)o1 ZINC000092587907 1083445340 /nfs/dbraw/zinc/44/53/40/1083445340.db2.gz ODTADJOMWFVQDI-WMZOPIPTSA-N 2 2 356.514 4.065 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000092587907 1083445347 /nfs/dbraw/zinc/44/53/47/1083445347.db2.gz ODTADJOMWFVQDI-WMZOPIPTSA-N 2 2 356.514 4.065 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000092587907 1083445350 /nfs/dbraw/zinc/44/53/50/1083445350.db2.gz ODTADJOMWFVQDI-WMZOPIPTSA-N 2 2 356.514 4.065 20 0 FIADLP Fc1ccc(COc2cccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)c2)cc1 ZINC000092659227 1083461186 /nfs/dbraw/zinc/46/11/86/1083461186.db2.gz FMPYUJOEJOAVKM-UHFFFAOYSA-N 2 2 365.452 4.438 20 0 FIADLP FC(F)(F)Cc1ncc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000892446405 1083491823 /nfs/dbraw/zinc/49/18/23/1083491823.db2.gz HSPHPNMTPIKTJM-UHFFFAOYSA-N 2 2 369.456 4.002 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000510952623 1083529286 /nfs/dbraw/zinc/52/92/86/1083529286.db2.gz RXRCXPFDJBRLLG-OAQYLSRUSA-N 3 2 357.586 4.140 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000510952623 1083529298 /nfs/dbraw/zinc/52/92/98/1083529298.db2.gz RXRCXPFDJBRLLG-OAQYLSRUSA-N 3 2 357.586 4.140 20 0 FIADLP Cc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc(C(F)(F)F)c1 ZINC001143462409 1083645121 /nfs/dbraw/zinc/64/51/21/1083645121.db2.gz KOQGKJAHYMYPMS-KRWDZBQOSA-N 2 2 350.384 4.371 20 0 FIADLP Cc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc(C(F)(F)F)c1 ZINC001143462409 1083645127 /nfs/dbraw/zinc/64/51/27/1083645127.db2.gz KOQGKJAHYMYPMS-KRWDZBQOSA-N 2 2 350.384 4.371 20 0 FIADLP CCn1nc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c2ccccc21 ZINC000472039308 1084140743 /nfs/dbraw/zinc/14/07/43/1084140743.db2.gz WMRVZUZROSZVGO-IIBYNOLFSA-N 2 2 368.550 4.290 20 0 FIADLP CCn1nc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c2ccccc21 ZINC000472039308 1084140755 /nfs/dbraw/zinc/14/07/55/1084140755.db2.gz WMRVZUZROSZVGO-IIBYNOLFSA-N 2 2 368.550 4.290 20 0 FIADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000685834996 1084292662 /nfs/dbraw/zinc/29/26/62/1084292662.db2.gz LLMGOUIEILHRLP-UHFFFAOYSA-N 2 2 353.297 4.162 20 0 FIADLP COC1CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000511044096 1084342518 /nfs/dbraw/zinc/34/25/18/1084342518.db2.gz GDUCTMSSXQLLHP-STTLMXHVSA-N 2 2 364.533 4.202 20 0 FIADLP COC1CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000511044096 1084342531 /nfs/dbraw/zinc/34/25/31/1084342531.db2.gz GDUCTMSSXQLLHP-STTLMXHVSA-N 2 2 364.533 4.202 20 0 FIADLP Fc1ccc(COc2ccccc2C[NH2+]CCCCn2cc[nH+]c2)c(F)c1 ZINC000657323550 1084562891 /nfs/dbraw/zinc/56/28/91/1084562891.db2.gz HLYJZEPXFHTADD-UHFFFAOYSA-N 2 2 371.431 4.310 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)[C@@H]1CC1(C)C ZINC000414143271 1084687374 /nfs/dbraw/zinc/68/73/74/1084687374.db2.gz IQESQNYGSMERGJ-LEWJYISDSA-N 2 2 357.542 4.024 20 0 FIADLP CCOc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1OCC ZINC000582210577 1084764552 /nfs/dbraw/zinc/76/45/52/1084764552.db2.gz XDSIHLAOTCBGKD-UHFFFAOYSA-N 2 2 370.493 4.231 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000511155437 1085111094 /nfs/dbraw/zinc/11/10/94/1085111094.db2.gz UODBPKUSXCVFHO-UHFFFAOYSA-N 2 2 350.934 4.065 20 0 FIADLP c1c2cnccc2oc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000651650932 1085291942 /nfs/dbraw/zinc/29/19/42/1085291942.db2.gz FKIGTNUOJWONLS-SIKLNZKXSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cnccc2oc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000651650932 1085291950 /nfs/dbraw/zinc/29/19/50/1085291950.db2.gz FKIGTNUOJWONLS-SIKLNZKXSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cnccc2oc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000651650932 1085291960 /nfs/dbraw/zinc/29/19/60/1085291960.db2.gz FKIGTNUOJWONLS-SIKLNZKXSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cnccc2oc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000651650932 1085291969 /nfs/dbraw/zinc/29/19/69/1085291969.db2.gz FKIGTNUOJWONLS-SIKLNZKXSA-N 2 2 361.489 4.314 20 0 FIADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000657526698 1085410513 /nfs/dbraw/zinc/41/05/13/1085410513.db2.gz LNCYJJRVXJSWIH-LJQANCHMSA-N 2 2 367.541 4.023 20 0 FIADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000657526698 1085410521 /nfs/dbraw/zinc/41/05/21/1085410521.db2.gz LNCYJJRVXJSWIH-LJQANCHMSA-N 2 2 367.541 4.023 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCSc3c(F)cccc32)cn1 ZINC000178412925 1085540344 /nfs/dbraw/zinc/54/03/44/1085540344.db2.gz GYFVAPKXEHZZST-KRWDZBQOSA-N 2 2 354.454 4.042 20 0 FIADLP CC[N@@H+](Cc1ncc(C(C)(C)C)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108706 1085554679 /nfs/dbraw/zinc/55/46/79/1085554679.db2.gz WDUXYRGFFULZBA-UHFFFAOYSA-N 2 2 356.514 4.106 20 0 FIADLP CC[N@H+](Cc1ncc(C(C)(C)C)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108706 1085554682 /nfs/dbraw/zinc/55/46/82/1085554682.db2.gz WDUXYRGFFULZBA-UHFFFAOYSA-N 2 2 356.514 4.106 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc2ccsc21 ZINC000652219471 1085754647 /nfs/dbraw/zinc/75/46/47/1085754647.db2.gz AODVGVRTKHRASY-JXFKEZNVSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc2ccsc21 ZINC000652219471 1085754652 /nfs/dbraw/zinc/75/46/52/1085754652.db2.gz AODVGVRTKHRASY-JXFKEZNVSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000090964240 1085905012 /nfs/dbraw/zinc/90/50/12/1085905012.db2.gz GVLGBLJCEROEDN-URZJWIJPSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000090964240 1085905019 /nfs/dbraw/zinc/90/50/19/1085905019.db2.gz GVLGBLJCEROEDN-URZJWIJPSA-N 2 2 353.485 4.098 20 0 FIADLP COC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000582964111 1085971243 /nfs/dbraw/zinc/97/12/43/1085971243.db2.gz GQCSNJQEINNTAY-FGZHOGPDSA-N 2 2 350.506 4.161 20 0 FIADLP COC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000582964111 1085971247 /nfs/dbraw/zinc/97/12/47/1085971247.db2.gz GQCSNJQEINNTAY-FGZHOGPDSA-N 2 2 350.506 4.161 20 0 FIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)[C@H]1c1cccs1 ZINC000249428118 1086190376 /nfs/dbraw/zinc/19/03/76/1086190376.db2.gz ICXPTVFVOPGUFG-XIKOKIGWSA-N 2 2 368.905 4.419 20 0 FIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)[C@H]1c1cccs1 ZINC000249428118 1086190385 /nfs/dbraw/zinc/19/03/85/1086190385.db2.gz ICXPTVFVOPGUFG-XIKOKIGWSA-N 2 2 368.905 4.419 20 0 FIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1OC(F)F ZINC000126441119 1086621055 /nfs/dbraw/zinc/62/10/55/1086621055.db2.gz OQDAZTSATNATLN-KRWDZBQOSA-N 2 2 372.419 4.418 20 0 FIADLP COc1cc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1SC ZINC000156257543 1086662441 /nfs/dbraw/zinc/66/24/41/1086662441.db2.gz WVOKNUVXXNEAHQ-OAHLLOKOSA-N 2 2 357.523 4.132 20 0 FIADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(-c2cccnc2)cc1 ZINC000512038191 1086688988 /nfs/dbraw/zinc/68/89/88/1086688988.db2.gz JOGYHXAOBDLFKJ-HNNXBMFYSA-N 2 2 352.507 4.118 20 0 FIADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000432414140 1086740460 /nfs/dbraw/zinc/74/04/60/1086740460.db2.gz QLFYOLDSKJEBIO-GJZGRUSLSA-N 2 2 350.890 4.238 20 0 FIADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000432414140 1086740464 /nfs/dbraw/zinc/74/04/64/1086740464.db2.gz QLFYOLDSKJEBIO-GJZGRUSLSA-N 2 2 350.890 4.238 20 0 FIADLP c1cnn(-c2cccc(C[NH2+][C@@H]3c4ccccc4CC[C@@H]3n3cc[nH+]c3)c2)c1 ZINC000583532912 1086776712 /nfs/dbraw/zinc/77/67/12/1086776712.db2.gz WYQYOMGQFMGGFW-XZOQPEGZSA-N 2 2 369.472 4.087 20 0 FIADLP CCc1cnc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000657772044 1086828152 /nfs/dbraw/zinc/82/81/52/1086828152.db2.gz JEFYRFUCKLFOIN-GOSISDBHSA-N 2 2 355.551 4.097 20 0 FIADLP CCc1cnc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000657772044 1086828161 /nfs/dbraw/zinc/82/81/61/1086828161.db2.gz JEFYRFUCKLFOIN-GOSISDBHSA-N 2 2 355.551 4.097 20 0 FIADLP Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCn2cc[nH+]c2)CCC3)cc1 ZINC000151152492 1086972802 /nfs/dbraw/zinc/97/28/02/1086972802.db2.gz GZWRPGQSGKZUDL-INIZCTEOSA-N 2 2 356.470 4.203 20 0 FIADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)c2)c[nH+]1 ZINC000151341399 1087091820 /nfs/dbraw/zinc/09/18/20/1087091820.db2.gz STCLBFFZJGNISC-OAQYLSRUSA-N 2 2 359.473 4.468 20 0 FIADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000151356699 1087094841 /nfs/dbraw/zinc/09/48/41/1087094841.db2.gz UQGNCACAKYQVQH-NSHDSACASA-N 2 2 365.732 4.144 20 0 FIADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151355230 1087094943 /nfs/dbraw/zinc/09/49/43/1087094943.db2.gz HRIGZJQWYTXJOB-OAHLLOKOSA-N 2 2 355.869 4.444 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(OCc3ccccc3)c1)CCC2 ZINC000525695708 1087262503 /nfs/dbraw/zinc/26/25/03/1087262503.db2.gz JLTFSKZCABERLW-NRFANRHFSA-N 2 2 361.489 4.438 20 0 FIADLP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080958573 1087289583 /nfs/dbraw/zinc/28/95/83/1087289583.db2.gz KCWZWLGWLRGMFZ-LJQANCHMSA-N 2 2 360.461 4.042 20 0 FIADLP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080958573 1087289587 /nfs/dbraw/zinc/28/95/87/1087289587.db2.gz KCWZWLGWLRGMFZ-LJQANCHMSA-N 2 2 360.461 4.042 20 0 FIADLP CC(C)[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1cccnc1 ZINC000091344658 1087427959 /nfs/dbraw/zinc/42/79/59/1087427959.db2.gz LWMGSZLEALCEQM-UGKGYDQZSA-N 2 2 367.537 4.268 20 0 FIADLP Brc1ccc2c(c1)[nH+]ccc2N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091479847 1087429730 /nfs/dbraw/zinc/42/97/30/1087429730.db2.gz DOJFRXKWTAXTHC-LBPRGKRZSA-N 2 2 357.255 4.104 20 0 FIADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)s2)cc1 ZINC000093866325 1087457753 /nfs/dbraw/zinc/45/77/53/1087457753.db2.gz GBOMTACDGNBKFS-GOSISDBHSA-N 2 2 351.475 4.167 20 0 FIADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)s2)cc1 ZINC000093866325 1087457762 /nfs/dbraw/zinc/45/77/62/1087457762.db2.gz GBOMTACDGNBKFS-GOSISDBHSA-N 2 2 351.475 4.167 20 0 FIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685462485 1087575259 /nfs/dbraw/zinc/57/52/59/1087575259.db2.gz MUMKRSPDCIEEQP-UHFFFAOYSA-N 2 2 358.489 4.408 20 0 FIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685462485 1087575264 /nfs/dbraw/zinc/57/52/64/1087575264.db2.gz MUMKRSPDCIEEQP-UHFFFAOYSA-N 2 2 358.489 4.408 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2c[nH]nc2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000093318404 1087688337 /nfs/dbraw/zinc/68/83/37/1087688337.db2.gz UCEBUKCDPORQEE-FXAWDEMLSA-N 2 2 354.542 4.192 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2c[nH]nc2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000093318404 1087688339 /nfs/dbraw/zinc/68/83/39/1087688339.db2.gz UCEBUKCDPORQEE-FXAWDEMLSA-N 2 2 354.542 4.192 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000093318404 1087688343 /nfs/dbraw/zinc/68/83/43/1087688343.db2.gz UCEBUKCDPORQEE-FXAWDEMLSA-N 2 2 354.542 4.192 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2c[nH]nc2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000093318404 1087688344 /nfs/dbraw/zinc/68/83/44/1087688344.db2.gz UCEBUKCDPORQEE-FXAWDEMLSA-N 2 2 354.542 4.192 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3[C@@H]4CCC[C@@H]4C3(C)C)CC2)cc1 ZINC000658030308 1087702756 /nfs/dbraw/zinc/70/27/56/1087702756.db2.gz PQZHZHVIDLJCBO-FSSWDIPSSA-N 2 2 369.553 4.024 20 0 FIADLP FC(F)(F)c1ccc(-c2nc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cs2)cc1 ZINC000414827338 1088350713 /nfs/dbraw/zinc/35/07/13/1088350713.db2.gz KKALROSQKHCFFW-YIONKMFJSA-N 2 2 367.440 4.202 20 0 FIADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000514086007 1088726865 /nfs/dbraw/zinc/72/68/65/1088726865.db2.gz YGTAXMRBPNRJGQ-MRXNPFEDSA-N 2 2 355.432 4.321 20 0 FIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000415071633 1089131911 /nfs/dbraw/zinc/13/19/11/1089131911.db2.gz WVCQCWADAIPZSP-HXUWFJFHSA-N 2 2 368.912 4.093 20 0 FIADLP Fc1cc(Br)cc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415087517 1089146144 /nfs/dbraw/zinc/14/61/44/1089146144.db2.gz UUXFAPIDXYZTJA-ROUUACIJSA-N 2 2 363.274 4.171 20 0 FIADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000435004392 1089199995 /nfs/dbraw/zinc/19/99/95/1089199995.db2.gz JLYKXNRLIOYGGJ-QFIPXVFZSA-N 2 2 374.488 4.278 20 0 FIADLP Cc1ccc([C@]2(C)CC[NH+](Cc3nc4c(s3)C[N@H+](C(C)C)CC4)C2)cc1 ZINC000435037209 1089212188 /nfs/dbraw/zinc/21/21/88/1089212188.db2.gz NPEIXFBVCLGZIE-JOCHJYFZSA-N 2 2 369.578 4.382 20 0 FIADLP Cc1ccc([C@]2(C)CC[NH+](Cc3nc4c(s3)C[N@@H+](C(C)C)CC4)C2)cc1 ZINC000435037209 1089212198 /nfs/dbraw/zinc/21/21/98/1089212198.db2.gz NPEIXFBVCLGZIE-JOCHJYFZSA-N 2 2 369.578 4.382 20 0 FIADLP Cc1ccc([C@]2(C)CC[N@@H+](Cc3nc4c(s3)C[NH+](C(C)C)CC4)C2)cc1 ZINC000435037209 1089212212 /nfs/dbraw/zinc/21/22/12/1089212212.db2.gz NPEIXFBVCLGZIE-JOCHJYFZSA-N 2 2 369.578 4.382 20 0 FIADLP Cc1ccc([C@]2(C)CC[N@H+](Cc3nc4c(s3)C[NH+](C(C)C)CC4)C2)cc1 ZINC000435037209 1089212226 /nfs/dbraw/zinc/21/22/26/1089212226.db2.gz NPEIXFBVCLGZIE-JOCHJYFZSA-N 2 2 369.578 4.382 20 0 FIADLP FC(F)(F)c1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435373261 1089567303 /nfs/dbraw/zinc/56/73/03/1089567303.db2.gz UPHZRLDNWMBELT-LJQANCHMSA-N 2 2 363.427 4.245 20 0 FIADLP FC(F)(F)c1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435373261 1089567313 /nfs/dbraw/zinc/56/73/13/1089567313.db2.gz UPHZRLDNWMBELT-LJQANCHMSA-N 2 2 363.427 4.245 20 0 FIADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000435371369 1089581196 /nfs/dbraw/zinc/58/11/96/1089581196.db2.gz MKCXAKHBQONPQS-WDEREUQCSA-N 2 2 356.322 4.286 20 0 FIADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000435371369 1089581206 /nfs/dbraw/zinc/58/12/06/1089581206.db2.gz MKCXAKHBQONPQS-WDEREUQCSA-N 2 2 356.322 4.286 20 0 FIADLP CC[NH2+]Cc1cccc(NCc2c[nH+]c3c(C)cc(Br)cn23)c1 ZINC000414869729 1089704049 /nfs/dbraw/zinc/70/40/49/1089704049.db2.gz QPWBFIZMYMTXLU-UHFFFAOYSA-N 2 2 373.298 4.127 20 0 FIADLP CC[N@H+](CC(=O)Nc1c(C(C)C)cccc1C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435612895 1089796942 /nfs/dbraw/zinc/79/69/42/1089796942.db2.gz HTOVDBLVBIFKND-GOSISDBHSA-N 2 2 359.558 4.336 20 0 FIADLP CC[N@@H+](CC(=O)Nc1c(C(C)C)cccc1C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435612895 1089796958 /nfs/dbraw/zinc/79/69/58/1089796958.db2.gz HTOVDBLVBIFKND-GOSISDBHSA-N 2 2 359.558 4.336 20 0 FIADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCOc4c(F)cccc43)CC2)cc1 ZINC000188052698 1090153071 /nfs/dbraw/zinc/15/30/71/1090153071.db2.gz ZESVWSMICVPDAQ-NRFANRHFSA-N 2 2 372.459 4.085 20 0 FIADLP Cc1[nH+]cn(-c2ccc(NC(=O)C[C@@H](c3ccccc3)[NH+](C)C)cc2)c1C ZINC000416232497 1090267753 /nfs/dbraw/zinc/26/77/53/1090267753.db2.gz FVSFDXNDZGNFMG-NRFANRHFSA-N 2 2 362.477 4.121 20 0 FIADLP C[N@H+](Cc1cc(C(F)(F)F)ccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001141104801 1090446835 /nfs/dbraw/zinc/44/68/35/1090446835.db2.gz RZIVYROUHLSHRC-UHFFFAOYSA-N 2 2 354.338 4.250 20 0 FIADLP C[N@@H+](Cc1cc(C(F)(F)F)ccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001141104801 1090446839 /nfs/dbraw/zinc/44/68/39/1090446839.db2.gz RZIVYROUHLSHRC-UHFFFAOYSA-N 2 2 354.338 4.250 20 0 FIADLP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C ZINC000312268570 1090468129 /nfs/dbraw/zinc/46/81/29/1090468129.db2.gz IDNKCCWJQVEJEQ-MBSDFSHPSA-N 2 2 362.521 4.136 20 0 FIADLP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C ZINC000312268570 1090468133 /nfs/dbraw/zinc/46/81/33/1090468133.db2.gz IDNKCCWJQVEJEQ-MBSDFSHPSA-N 2 2 362.521 4.136 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1c1cccs1 ZINC000417333070 1090822803 /nfs/dbraw/zinc/82/28/03/1090822803.db2.gz PIFYIRAXDAMPRQ-AYWYSENESA-N 2 2 370.562 4.121 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1c1cccs1 ZINC000417333070 1090822817 /nfs/dbraw/zinc/82/28/17/1090822817.db2.gz PIFYIRAXDAMPRQ-AYWYSENESA-N 2 2 370.562 4.121 20 0 FIADLP C[C@H]([NH2+]Cc1nsc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000660218975 1090898193 /nfs/dbraw/zinc/89/81/93/1090898193.db2.gz BAHPCEUJFVHLMB-WMZOPIPTSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@H]([NH2+]Cc1nsc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000660218975 1090898207 /nfs/dbraw/zinc/89/82/07/1090898207.db2.gz BAHPCEUJFVHLMB-WMZOPIPTSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nsc2ccccc21 ZINC000660306721 1090988965 /nfs/dbraw/zinc/98/89/65/1090988965.db2.gz UIIBWYZSJZKPOZ-LPHOPBHVSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nsc2ccccc21 ZINC000660306721 1090988969 /nfs/dbraw/zinc/98/89/69/1090988969.db2.gz UIIBWYZSJZKPOZ-LPHOPBHVSA-N 2 2 351.519 4.297 20 0 FIADLP Cc1ccccc1C1CC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390529129 1091179349 /nfs/dbraw/zinc/17/93/49/1091179349.db2.gz DHECTRKSVWCYFB-XPPIMPSXSA-N 2 2 364.533 4.122 20 0 FIADLP Cc1ccccc1C1CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390529129 1091179355 /nfs/dbraw/zinc/17/93/55/1091179355.db2.gz DHECTRKSVWCYFB-XPPIMPSXSA-N 2 2 364.533 4.122 20 0 FIADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000390525826 1091183001 /nfs/dbraw/zinc/18/30/01/1091183001.db2.gz IYXDJGQIIOCBCY-URXFXBBRSA-N 3 2 365.565 4.009 20 0 FIADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000390525826 1091183008 /nfs/dbraw/zinc/18/30/08/1091183008.db2.gz IYXDJGQIIOCBCY-URXFXBBRSA-N 3 2 365.565 4.009 20 0 FIADLP Cc1ccc(C2CC([NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390572981 1091278589 /nfs/dbraw/zinc/27/85/89/1091278589.db2.gz OVXVIPMCZNQTRU-VHYCJAOWSA-N 2 2 364.533 4.122 20 0 FIADLP Cc1ccc(C2CC([NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390572981 1091278599 /nfs/dbraw/zinc/27/85/99/1091278599.db2.gz OVXVIPMCZNQTRU-VHYCJAOWSA-N 2 2 364.533 4.122 20 0 FIADLP Fc1ccc(/C=C/C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1F ZINC000511764085 1091648712 /nfs/dbraw/zinc/64/87/12/1091648712.db2.gz BPYBECXXTUADIO-OWOJBTEDSA-N 2 2 374.397 4.373 20 0 FIADLP Cc1[nH+]cc(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1-c1ccccc1 ZINC000512192209 1091850978 /nfs/dbraw/zinc/85/09/78/1091850978.db2.gz AGTZRPOYXZEGRU-FPOVZHCZSA-N 2 2 366.553 4.267 20 0 FIADLP Cc1[nH+]cc(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1-c1ccccc1 ZINC000512192209 1091850987 /nfs/dbraw/zinc/85/09/87/1091850987.db2.gz AGTZRPOYXZEGRU-FPOVZHCZSA-N 2 2 366.553 4.267 20 0 FIADLP CC[N@H+](CCC1CCOCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000432780979 1092347284 /nfs/dbraw/zinc/34/72/84/1092347284.db2.gz MEYZFCPHZQDXGR-UHFFFAOYSA-N 2 2 374.573 4.016 20 0 FIADLP CC[N@@H+](CCC1CCOCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000432780979 1092347296 /nfs/dbraw/zinc/34/72/96/1092347296.db2.gz MEYZFCPHZQDXGR-UHFFFAOYSA-N 2 2 374.573 4.016 20 0 FIADLP COc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OCc1cccs1 ZINC000432799416 1092423545 /nfs/dbraw/zinc/42/35/45/1092423545.db2.gz XFMSQZXCXXIYHG-SFHVURJKSA-N 2 2 374.550 4.252 20 0 FIADLP COc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OCc1cccs1 ZINC000432799416 1092423579 /nfs/dbraw/zinc/42/35/79/1092423579.db2.gz XFMSQZXCXXIYHG-SFHVURJKSA-N 2 2 374.550 4.252 20 0 FIADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000521016649 1092424988 /nfs/dbraw/zinc/42/49/88/1092424988.db2.gz QGBCDIFIFFXLHY-IEBWSBKVSA-N 2 2 371.500 4.182 20 0 FIADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000521016649 1092424991 /nfs/dbraw/zinc/42/49/91/1092424991.db2.gz QGBCDIFIFFXLHY-IEBWSBKVSA-N 2 2 371.500 4.182 20 0 FIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143550138 1092880146 /nfs/dbraw/zinc/88/01/46/1092880146.db2.gz GWLMBGKIAMNUMP-OAHLLOKOSA-N 2 2 370.346 4.081 20 0 FIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143550138 1092880155 /nfs/dbraw/zinc/88/01/55/1092880155.db2.gz GWLMBGKIAMNUMP-OAHLLOKOSA-N 2 2 370.346 4.081 20 0 FIADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152119705 1092998620 /nfs/dbraw/zinc/99/86/20/1092998620.db2.gz IETNTJRNEWPURT-HNNXBMFYSA-N 2 2 355.869 4.444 20 0 FIADLP C[C@@H]1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168017514 1093151397 /nfs/dbraw/zinc/15/13/97/1093151397.db2.gz AVOOOVGUTFYMBP-UDMCKFQASA-N 3 2 355.570 4.033 20 0 FIADLP C[C@@H]1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168017514 1093151400 /nfs/dbraw/zinc/15/14/00/1093151400.db2.gz AVOOOVGUTFYMBP-UDMCKFQASA-N 3 2 355.570 4.033 20 0 FIADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000152269343 1093243758 /nfs/dbraw/zinc/24/37/58/1093243758.db2.gz HLKRVIDRXFULKX-UHFFFAOYSA-N 2 2 368.525 4.071 20 0 FIADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000152269343 1093243763 /nfs/dbraw/zinc/24/37/63/1093243763.db2.gz HLKRVIDRXFULKX-UHFFFAOYSA-N 2 2 368.525 4.071 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1sc(C)nc1C(F)(F)F ZINC000191486449 1093396655 /nfs/dbraw/zinc/39/66/55/1093396655.db2.gz OLZHTFKHSYRWFD-UHFFFAOYSA-N 2 2 360.449 4.141 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1sc(C)nc1C(F)(F)F ZINC000191486449 1093396661 /nfs/dbraw/zinc/39/66/61/1093396661.db2.gz OLZHTFKHSYRWFD-UHFFFAOYSA-N 2 2 360.449 4.141 20 0 FIADLP CCOc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc(Cl)c1O ZINC000895707550 1093678189 /nfs/dbraw/zinc/67/81/89/1093678189.db2.gz SXMQCUMSNPMLCB-SFHVURJKSA-N 2 2 371.868 4.172 20 0 FIADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000246487836 1093816179 /nfs/dbraw/zinc/81/61/79/1093816179.db2.gz JWCZCGLTRTXXPI-JAXLGGSGSA-N 2 2 354.469 4.140 20 0 FIADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000246487836 1093816188 /nfs/dbraw/zinc/81/61/88/1093816188.db2.gz JWCZCGLTRTXXPI-JAXLGGSGSA-N 2 2 354.469 4.140 20 0 FIADLP COCc1ccccc1/C=C(\C)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000513285778 1094046011 /nfs/dbraw/zinc/04/60/11/1094046011.db2.gz CYDHYOXEZHTNTN-NBVRZTHBSA-N 2 2 366.505 4.483 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000513411116 1094099704 /nfs/dbraw/zinc/09/97/04/1094099704.db2.gz JZLIQBYEBWKCNF-SFHVURJKSA-N 2 2 356.514 4.066 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000513411116 1094099713 /nfs/dbraw/zinc/09/97/13/1094099713.db2.gz JZLIQBYEBWKCNF-SFHVURJKSA-N 2 2 356.514 4.066 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc3ccccc3o2)[C@@H]1c1cnn(C)c1 ZINC000434014346 1094237106 /nfs/dbraw/zinc/23/71/06/1094237106.db2.gz XATHHHJKGLLPIO-PGRDOPGGSA-N 2 2 366.509 4.071 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc3ccccc3o2)[C@@H]1c1cnn(C)c1 ZINC000434014346 1094237111 /nfs/dbraw/zinc/23/71/11/1094237111.db2.gz XATHHHJKGLLPIO-PGRDOPGGSA-N 2 2 366.509 4.071 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc3ccccc3o2)[C@@H]1c1cnn(C)c1 ZINC000434014346 1094237117 /nfs/dbraw/zinc/23/71/17/1094237117.db2.gz XATHHHJKGLLPIO-PGRDOPGGSA-N 2 2 366.509 4.071 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc3ccccc3o2)[C@@H]1c1cnn(C)c1 ZINC000434014346 1094237123 /nfs/dbraw/zinc/23/71/23/1094237123.db2.gz XATHHHJKGLLPIO-PGRDOPGGSA-N 2 2 366.509 4.071 20 0 FIADLP C[C@H](CCc1cccc(F)c1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434014927 1094238933 /nfs/dbraw/zinc/23/89/33/1094238933.db2.gz YLWIUOXJFZIAOW-AGHHOFFYSA-N 2 2 355.501 4.167 20 0 FIADLP C[C@H](CCc1cccc(F)c1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434014927 1094238939 /nfs/dbraw/zinc/23/89/39/1094238939.db2.gz YLWIUOXJFZIAOW-AGHHOFFYSA-N 2 2 355.501 4.167 20 0 FIADLP C[C@H](CCc1cccc(F)c1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434014927 1094238943 /nfs/dbraw/zinc/23/89/43/1094238943.db2.gz YLWIUOXJFZIAOW-AGHHOFFYSA-N 2 2 355.501 4.167 20 0 FIADLP C[C@H](CCc1cccc(F)c1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434014927 1094238946 /nfs/dbraw/zinc/23/89/46/1094238946.db2.gz YLWIUOXJFZIAOW-AGHHOFFYSA-N 2 2 355.501 4.167 20 0 FIADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000513691256 1094312970 /nfs/dbraw/zinc/31/29/70/1094312970.db2.gz SUPSFQCBIIBNEM-MRXNPFEDSA-N 2 2 355.432 4.321 20 0 FIADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000474617434 1094442947 /nfs/dbraw/zinc/44/29/47/1094442947.db2.gz APUQXUDOEMOCIC-IRXDYDNUSA-N 2 2 365.477 4.171 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000116383250 1094477381 /nfs/dbraw/zinc/47/73/81/1094477381.db2.gz YKCQSKNEOBGOCU-GCJKJVERSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000116383250 1094477383 /nfs/dbraw/zinc/47/73/83/1094477383.db2.gz YKCQSKNEOBGOCU-GCJKJVERSA-N 2 2 361.489 4.342 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420365942 1094901352 /nfs/dbraw/zinc/90/13/52/1094901352.db2.gz TXNVEQATEZMMAQ-FQEVSTJZSA-N 2 2 359.558 4.369 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420393511 1094910635 /nfs/dbraw/zinc/91/06/35/1094910635.db2.gz JUQSJBZYDXVINW-RXVVDRJESA-N 2 2 371.569 4.336 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420393511 1094910638 /nfs/dbraw/zinc/91/06/38/1094910638.db2.gz JUQSJBZYDXVINW-RXVVDRJESA-N 2 2 371.569 4.336 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420393510 1094910858 /nfs/dbraw/zinc/91/08/58/1094910858.db2.gz JUQSJBZYDXVINW-NQIIRXRSSA-N 2 2 371.569 4.336 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420393510 1094910862 /nfs/dbraw/zinc/91/08/62/1094910862.db2.gz JUQSJBZYDXVINW-NQIIRXRSSA-N 2 2 371.569 4.336 20 0 FIADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000522545277 1095109588 /nfs/dbraw/zinc/10/95/88/1095109588.db2.gz KAUHOYODFPWNEE-MLGOLLRUSA-N 2 2 374.356 4.276 20 0 FIADLP CC(C)([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(Cl)c1 ZINC000420933791 1095174967 /nfs/dbraw/zinc/17/49/67/1095174967.db2.gz IKACCTDENIFFJQ-UHFFFAOYSA-N 2 2 358.913 4.197 20 0 FIADLP CC(C)[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000420941292 1095180254 /nfs/dbraw/zinc/18/02/54/1095180254.db2.gz SPFQAWMTNWBXCS-QFIPXVFZSA-N 2 2 356.485 4.145 20 0 FIADLP FC(F)Oc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502339435 1095374717 /nfs/dbraw/zinc/37/47/17/1095374717.db2.gz IVCHJZBCKJBHOS-MRXNPFEDSA-N 2 2 361.436 4.200 20 0 FIADLP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502339435 1095374724 /nfs/dbraw/zinc/37/47/24/1095374724.db2.gz IVCHJZBCKJBHOS-MRXNPFEDSA-N 2 2 361.436 4.200 20 0 FIADLP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444211336 1095857814 /nfs/dbraw/zinc/85/78/14/1095857814.db2.gz JTGIMTIXVOMFME-JKSUJKDBSA-N 2 2 351.332 4.318 20 0 FIADLP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444211336 1095857832 /nfs/dbraw/zinc/85/78/32/1095857832.db2.gz JTGIMTIXVOMFME-JKSUJKDBSA-N 2 2 351.332 4.318 20 0 FIADLP COc1ccc([C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C2CC2)c(F)c1 ZINC000421828389 1095942589 /nfs/dbraw/zinc/94/25/89/1095942589.db2.gz CMRWCJYDDGWNLF-OAQYLSRUSA-N 2 2 351.425 4.261 20 0 FIADLP CC(C)C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccn1 ZINC000272317777 1096173405 /nfs/dbraw/zinc/17/34/05/1096173405.db2.gz VHQGUBZEUICYFW-OAQYLSRUSA-N 2 2 367.541 4.206 20 0 FIADLP CO[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000272594264 1096195353 /nfs/dbraw/zinc/19/53/53/1096195353.db2.gz SNLSJVONSFLJTF-MRXNPFEDSA-N 2 2 364.839 4.034 20 0 FIADLP CC(C)(C)Oc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000503256965 1096332484 /nfs/dbraw/zinc/33/24/84/1096332484.db2.gz CFSLFUPKEOPBKJ-UHFFFAOYSA-N 2 2 353.510 4.013 20 0 FIADLP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1OC1CCCC1 ZINC000422703110 1096456294 /nfs/dbraw/zinc/45/62/94/1096456294.db2.gz HCQLXOQBNWCBQF-PMACEKPBSA-N 2 2 352.478 4.251 20 0 FIADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000422710854 1096460157 /nfs/dbraw/zinc/46/01/57/1096460157.db2.gz GGPSXIGDVIRGDC-QPPBQGQZSA-N 3 2 374.532 4.206 20 0 FIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)[C@@H](C)C1 ZINC000503551383 1096467746 /nfs/dbraw/zinc/46/77/46/1096467746.db2.gz MDUNUYHCGJEMRK-RXVVDRJESA-N 2 2 372.509 4.299 20 0 FIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)[C@@H](C)C1 ZINC000503551383 1096467749 /nfs/dbraw/zinc/46/77/49/1096467749.db2.gz MDUNUYHCGJEMRK-RXVVDRJESA-N 2 2 372.509 4.299 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000423011279 1096549051 /nfs/dbraw/zinc/54/90/51/1096549051.db2.gz INBKEWAKUFEZBS-CDNPAEQRSA-N 2 2 360.505 4.075 20 0 FIADLP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CCO1 ZINC000423040869 1096557733 /nfs/dbraw/zinc/55/77/33/1096557733.db2.gz IEJUBDBGFXXWEI-YJMBLLCNSA-N 2 2 360.542 4.062 20 0 FIADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1csc(-c2ccccc2)n1 ZINC000423182786 1096595946 /nfs/dbraw/zinc/59/59/46/1096595946.db2.gz FMHOZDVRCSRFFZ-INIZCTEOSA-N 2 2 352.507 4.036 20 0 FIADLP CSc1cccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccc(F)c(F)c2)c1 ZINC000423217711 1096620367 /nfs/dbraw/zinc/62/03/67/1096620367.db2.gz UKTAZMRJPGZTHW-VBKZILBWSA-N 2 2 362.489 4.365 20 0 FIADLP Cc1ncoc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000894280417 1096639248 /nfs/dbraw/zinc/63/92/48/1096639248.db2.gz JHGFUEMKUBPUFA-CRAIPNDOSA-N 2 2 367.415 4.175 20 0 FIADLP Cc1ncoc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000894280417 1096639252 /nfs/dbraw/zinc/63/92/52/1096639252.db2.gz JHGFUEMKUBPUFA-CRAIPNDOSA-N 2 2 367.415 4.175 20 0 FIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000423502694 1096700969 /nfs/dbraw/zinc/70/09/69/1096700969.db2.gz MGEUUQGGNDBVMA-CXAGYDPISA-N 2 2 364.436 4.210 20 0 FIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000423502698 1096701387 /nfs/dbraw/zinc/70/13/87/1096701387.db2.gz MGEUUQGGNDBVMA-GUYCJALGSA-N 2 2 364.436 4.210 20 0 FIADLP C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000532967820 1098635833 /nfs/dbraw/zinc/63/58/33/1098635833.db2.gz VLVMIJQRRTYVJL-HZPDHXFCSA-N 2 2 351.332 4.460 20 0 FIADLP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000532967820 1098635836 /nfs/dbraw/zinc/63/58/36/1098635836.db2.gz VLVMIJQRRTYVJL-HZPDHXFCSA-N 2 2 351.332 4.460 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccn4)nc3)C2)n2c1CCCC2 ZINC000425448344 1098656217 /nfs/dbraw/zinc/65/62/17/1098656217.db2.gz URBUIHLNTWURQZ-LJQANCHMSA-N 2 2 373.504 4.056 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccn4)nc3)C2)n2c1CCCC2 ZINC000425448344 1098656233 /nfs/dbraw/zinc/65/62/33/1098656233.db2.gz URBUIHLNTWURQZ-LJQANCHMSA-N 2 2 373.504 4.056 20 0 FIADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccc(Cl)cc4)n3)CC[C@H]21 ZINC000533025540 1098678657 /nfs/dbraw/zinc/67/86/57/1098678657.db2.gz MLSQFAPWYVRILN-CRAIPNDOSA-N 2 2 361.942 4.380 20 0 FIADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccc(Cl)cc4)n3)CC[C@H]21 ZINC000533025540 1098678666 /nfs/dbraw/zinc/67/86/66/1098678666.db2.gz MLSQFAPWYVRILN-CRAIPNDOSA-N 2 2 361.942 4.380 20 0 FIADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccc(Cl)cc4)n3)CC[C@H]21 ZINC000533025540 1098678674 /nfs/dbraw/zinc/67/86/74/1098678674.db2.gz MLSQFAPWYVRILN-CRAIPNDOSA-N 2 2 361.942 4.380 20 0 FIADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccc(Cl)cc4)n3)CC[C@H]21 ZINC000533025540 1098678679 /nfs/dbraw/zinc/67/86/79/1098678679.db2.gz MLSQFAPWYVRILN-CRAIPNDOSA-N 2 2 361.942 4.380 20 0 FIADLP C[C@H](C[NH+]1CCC[C@H]1c1ccccn1)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000533026133 1098680692 /nfs/dbraw/zinc/68/06/92/1098680692.db2.gz YCGJXPKDXJFVGL-FJPGZJACSA-N 2 2 350.510 4.087 20 0 FIADLP C[C@H](C[NH+]1CCC[C@H]1c1ccccn1)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000533026133 1098680694 /nfs/dbraw/zinc/68/06/94/1098680694.db2.gz YCGJXPKDXJFVGL-FJPGZJACSA-N 2 2 350.510 4.087 20 0 FIADLP C[C@@H](C[NH+]1CCC[C@@H]1c1ccccn1)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000533026133 1098680696 /nfs/dbraw/zinc/68/06/96/1098680696.db2.gz YCGJXPKDXJFVGL-FJPGZJACSA-N 2 2 350.510 4.087 20 0 FIADLP C[C@@H](C[NH+]1CCC[C@@H]1c1ccccn1)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000533026133 1098680700 /nfs/dbraw/zinc/68/07/00/1098680700.db2.gz YCGJXPKDXJFVGL-FJPGZJACSA-N 2 2 350.510 4.087 20 0 FIADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(-c4ccccc4)o3)[nH+]c2)C1 ZINC000533315715 1098965515 /nfs/dbraw/zinc/96/55/15/1098965515.db2.gz SPIAEHKOAHYLPT-LJQANCHMSA-N 2 2 362.477 4.094 20 0 FIADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](OCCCc4ccccc4)C3)cc2)c[nH+]1 ZINC000533347451 1098970017 /nfs/dbraw/zinc/97/00/17/1098970017.db2.gz HJMBZVBBHPKEKW-HSZRJFAPSA-N 2 2 361.489 4.096 20 0 FIADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](OCCCc4ccccc4)C3)cc2)c[nH+]1 ZINC000533347451 1098970023 /nfs/dbraw/zinc/97/00/23/1098970023.db2.gz HJMBZVBBHPKEKW-HSZRJFAPSA-N 2 2 361.489 4.096 20 0 FIADLP Cc1cc(C)c(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000455480078 1099263113 /nfs/dbraw/zinc/26/31/13/1099263113.db2.gz HDVSPBBLXKHRPE-QGZVFWFLSA-N 2 2 354.498 4.039 20 0 FIADLP Cc1cc(C)c(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000455480078 1099263122 /nfs/dbraw/zinc/26/31/22/1099263122.db2.gz HDVSPBBLXKHRPE-QGZVFWFLSA-N 2 2 354.498 4.039 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC000455507269 1099291148 /nfs/dbraw/zinc/29/11/48/1099291148.db2.gz YYOVFZSJWSFMNJ-JXFKEZNVSA-N 2 2 366.509 4.039 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC000455507269 1099291159 /nfs/dbraw/zinc/29/11/59/1099291159.db2.gz YYOVFZSJWSFMNJ-JXFKEZNVSA-N 2 2 366.509 4.039 20 0 FIADLP C[NH+]1CCC([NH2+][C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1 ZINC000437030197 1099543017 /nfs/dbraw/zinc/54/30/17/1099543017.db2.gz JMMCZPRSTCJUEX-AWEZNQCLSA-N 2 2 354.338 4.383 20 0 FIADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000261951930 1099680458 /nfs/dbraw/zinc/68/04/58/1099680458.db2.gz GBVGENAPZRIBPR-MGPUTAFESA-N 2 2 371.912 4.294 20 0 FIADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000261951930 1099680465 /nfs/dbraw/zinc/68/04/65/1099680465.db2.gz GBVGENAPZRIBPR-MGPUTAFESA-N 2 2 371.912 4.294 20 0 FIADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000516865907 1099892723 /nfs/dbraw/zinc/89/27/23/1099892723.db2.gz JALACURDUBYKSZ-SFHVURJKSA-N 2 2 354.498 4.402 20 0 FIADLP Clc1ccc(Cl)c(-c2csc(C[NH2+]CC[C@H]3CCC[NH2+]3)n2)c1 ZINC000414910360 1100063527 /nfs/dbraw/zinc/06/35/27/1100063527.db2.gz UZUSYUDLJIHSMJ-GFCCVEGCSA-N 2 2 356.322 4.349 20 0 FIADLP Cc1ccc(-n2cc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000536660717 1100131899 /nfs/dbraw/zinc/13/18/99/1100131899.db2.gz ONEODQFOXJICCA-NQIIRXRSSA-N 2 2 368.569 4.393 20 0 FIADLP Cc1ccc(-n2cc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000536660717 1100131909 /nfs/dbraw/zinc/13/19/09/1100131909.db2.gz ONEODQFOXJICCA-NQIIRXRSSA-N 2 2 368.569 4.393 20 0 FIADLP Cc1ccc(-n2cc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000536660717 1100131912 /nfs/dbraw/zinc/13/19/12/1100131912.db2.gz ONEODQFOXJICCA-NQIIRXRSSA-N 2 2 368.569 4.393 20 0 FIADLP Cc1ccc(-n2cc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000536660717 1100131917 /nfs/dbraw/zinc/13/19/17/1100131917.db2.gz ONEODQFOXJICCA-NQIIRXRSSA-N 2 2 368.569 4.393 20 0 FIADLP COc1ccc(OC)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000536674493 1100160798 /nfs/dbraw/zinc/16/07/98/1100160798.db2.gz RDUBGELCQUUJPN-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(OC)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000536674493 1100160807 /nfs/dbraw/zinc/16/08/07/1100160807.db2.gz RDUBGELCQUUJPN-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(OC)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000536674493 1100160813 /nfs/dbraw/zinc/16/08/13/1100160813.db2.gz RDUBGELCQUUJPN-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(OC)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000536674493 1100160819 /nfs/dbraw/zinc/16/08/19/1100160819.db2.gz RDUBGELCQUUJPN-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000438003175 1100360558 /nfs/dbraw/zinc/36/05/58/1100360558.db2.gz VSHBYIWKTGJZOO-LJQANCHMSA-N 2 2 366.484 4.189 20 0 FIADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000438003175 1100360568 /nfs/dbraw/zinc/36/05/68/1100360568.db2.gz VSHBYIWKTGJZOO-LJQANCHMSA-N 2 2 366.484 4.189 20 0 FIADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000438003175 1100360577 /nfs/dbraw/zinc/36/05/77/1100360577.db2.gz VSHBYIWKTGJZOO-LJQANCHMSA-N 2 2 366.484 4.189 20 0 FIADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000438003175 1100360590 /nfs/dbraw/zinc/36/05/90/1100360590.db2.gz VSHBYIWKTGJZOO-LJQANCHMSA-N 2 2 366.484 4.189 20 0 FIADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccccc3F)s2)C[C@H](C)O1 ZINC000517540680 1100463886 /nfs/dbraw/zinc/46/38/86/1100463886.db2.gz BVIAZVQZSDXNJA-IYBDPMFKSA-N 2 2 362.514 4.143 20 0 FIADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccccc3F)s2)C[C@H](C)O1 ZINC000517540680 1100463894 /nfs/dbraw/zinc/46/38/94/1100463894.db2.gz BVIAZVQZSDXNJA-IYBDPMFKSA-N 2 2 362.514 4.143 20 0 FIADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414948153 1100900071 /nfs/dbraw/zinc/90/00/71/1100900071.db2.gz XTYORKVGYCBRFH-VGSWGCGISA-N 2 2 361.489 4.155 20 0 FIADLP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000426324897 1101261341 /nfs/dbraw/zinc/26/13/41/1101261341.db2.gz GVCASYNKBHFADY-OFNKIYASSA-N 2 2 365.565 4.476 20 0 FIADLP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000426324897 1101261346 /nfs/dbraw/zinc/26/13/46/1101261346.db2.gz GVCASYNKBHFADY-OFNKIYASSA-N 2 2 365.565 4.476 20 0 FIADLP CCOc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000518542146 1101284239 /nfs/dbraw/zinc/28/42/39/1101284239.db2.gz LATLIOOBMDINAD-YLJYHZDGSA-N 2 2 371.550 4.173 20 0 FIADLP CCOc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000518542146 1101284243 /nfs/dbraw/zinc/28/42/43/1101284243.db2.gz LATLIOOBMDINAD-YLJYHZDGSA-N 2 2 371.550 4.173 20 0 FIADLP CCCCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000537016596 1101381472 /nfs/dbraw/zinc/38/14/72/1101381472.db2.gz PPPMZHFLNQOECG-AVRDEDQJSA-N 2 2 354.542 4.134 20 0 FIADLP CCCCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000537016596 1101381487 /nfs/dbraw/zinc/38/14/87/1101381487.db2.gz PPPMZHFLNQOECG-AVRDEDQJSA-N 2 2 354.542 4.134 20 0 FIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000178058927 1101514820 /nfs/dbraw/zinc/51/48/20/1101514820.db2.gz LQMCMCKEQKNITG-JKSUJKDBSA-N 2 2 366.534 4.442 20 0 FIADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001168155303 1101591488 /nfs/dbraw/zinc/59/14/88/1101591488.db2.gz QKGHZUVCSCZQBK-YVEFUNNKSA-N 2 2 367.718 4.323 20 0 FIADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000760332154 1101921498 /nfs/dbraw/zinc/92/14/98/1101921498.db2.gz WWXYLHBAYBZBII-FUHWJXTLSA-N 2 2 369.336 4.214 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000583290505 1101971765 /nfs/dbraw/zinc/97/17/65/1101971765.db2.gz ZOYHWNOSWSGQQH-HYBUGGRVSA-N 3 2 374.532 4.074 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000583290505 1101971768 /nfs/dbraw/zinc/97/17/68/1101971768.db2.gz ZOYHWNOSWSGQQH-HYBUGGRVSA-N 3 2 374.532 4.074 20 0 FIADLP COc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2Cl)cc1OC ZINC000643465565 1102131953 /nfs/dbraw/zinc/13/19/53/1102131953.db2.gz WFBPJWJPWJELIK-IIBYNOLFSA-N 2 2 374.912 4.178 20 0 FIADLP Clc1cccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCCC2)c1 ZINC000655734254 1102190865 /nfs/dbraw/zinc/19/08/65/1102190865.db2.gz DBANACYHTWYCBF-SFTDATJTSA-N 2 2 362.945 4.414 20 0 FIADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000519484369 1102239605 /nfs/dbraw/zinc/23/96/05/1102239605.db2.gz HVSVXLYTWYVBDK-HNNXBMFYSA-N 2 2 355.869 4.444 20 0 FIADLP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000120812625 1102268837 /nfs/dbraw/zinc/26/88/37/1102268837.db2.gz CIPKNIXATNSWMB-SIKLNZKXSA-N 2 2 351.538 4.168 20 0 FIADLP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000120812625 1102268844 /nfs/dbraw/zinc/26/88/44/1102268844.db2.gz CIPKNIXATNSWMB-SIKLNZKXSA-N 2 2 351.538 4.168 20 0 FIADLP Fc1ccc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967559 1102281614 /nfs/dbraw/zinc/28/16/14/1102281614.db2.gz HBZAUMUCTWCMHI-ALOPSCKCSA-N 2 2 367.306 4.083 20 0 FIADLP Fc1ccc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967559 1102281621 /nfs/dbraw/zinc/28/16/21/1102281621.db2.gz HBZAUMUCTWCMHI-ALOPSCKCSA-N 2 2 367.306 4.083 20 0 FIADLP Cn1c2ccccc2nc1C[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001167967804 1102297056 /nfs/dbraw/zinc/29/70/56/1102297056.db2.gz LJZPNCYKOMQMKA-UHFFFAOYSA-N 2 2 362.521 4.191 20 0 FIADLP Cn1c2ccccc2nc1C[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001167967804 1102297067 /nfs/dbraw/zinc/29/70/67/1102297067.db2.gz LJZPNCYKOMQMKA-UHFFFAOYSA-N 2 2 362.521 4.191 20 0 FIADLP COc1cccc(C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C2CC2)c1 ZINC000121036093 1102311842 /nfs/dbraw/zinc/31/18/42/1102311842.db2.gz YWMZJSSZKQQTOF-QHCPKHFHSA-N 2 2 361.489 4.051 20 0 FIADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CCCOc4cc5c(cc43)CCC5)cc2)c[nH+]1 ZINC000121887675 1102493822 /nfs/dbraw/zinc/49/38/22/1102493822.db2.gz JVYIKIUJLXDZTN-HSZRJFAPSA-N 2 2 373.500 4.424 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000303792100 1102563664 /nfs/dbraw/zinc/56/36/64/1102563664.db2.gz VDAAXDOYSJRKDN-GBXCKJPGSA-N 2 2 374.532 4.357 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000303792100 1102563678 /nfs/dbraw/zinc/56/36/78/1102563678.db2.gz VDAAXDOYSJRKDN-GBXCKJPGSA-N 2 2 374.532 4.357 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnn(-c3ccccc3)c2)CC[NH+]1Cc1ccccc1 ZINC000303792100 1102563687 /nfs/dbraw/zinc/56/36/87/1102563687.db2.gz VDAAXDOYSJRKDN-GBXCKJPGSA-N 2 2 374.532 4.357 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnn(-c3ccccc3)c2)CC[NH+]1Cc1ccccc1 ZINC000303792100 1102563699 /nfs/dbraw/zinc/56/36/99/1102563699.db2.gz VDAAXDOYSJRKDN-GBXCKJPGSA-N 2 2 374.532 4.357 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccccc2Br)cn1 ZINC000126338853 1102702770 /nfs/dbraw/zinc/70/27/70/1102702770.db2.gz PMPNDDMHZFYQAF-ZDUSSCGKSA-N 2 2 371.282 4.189 20 0 FIADLP COc1ccc2oc(C[NH2+]CCc3[nH+]ccn3Cc3ccccc3)cc2c1 ZINC000123122551 1102797329 /nfs/dbraw/zinc/79/73/29/1102797329.db2.gz NGXVDFJMSGXXCG-UHFFFAOYSA-N 2 2 361.445 4.019 20 0 FIADLP COc1cc(F)c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000551051129 1102864608 /nfs/dbraw/zinc/86/46/08/1102864608.db2.gz NSDBUMCRBQJDGP-RIFZZMRRSA-N 2 2 372.484 4.329 20 0 FIADLP COc1cc(F)c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000551051129 1102864622 /nfs/dbraw/zinc/86/46/22/1102864622.db2.gz NSDBUMCRBQJDGP-RIFZZMRRSA-N 2 2 372.484 4.329 20 0 FIADLP c1cc2n(c1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)[C@@H]2c1ccccc1 ZINC001167983404 1102877281 /nfs/dbraw/zinc/87/72/81/1102877281.db2.gz HLOOCSBSRQZDLL-INXDJGNKSA-N 2 2 361.533 4.299 20 0 FIADLP c1cc2n(c1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)[C@@H]2c1ccccc1 ZINC001167983404 1102877301 /nfs/dbraw/zinc/87/73/01/1102877301.db2.gz HLOOCSBSRQZDLL-INXDJGNKSA-N 2 2 361.533 4.299 20 0 FIADLP c1cc2n(c1)CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)[C@@H]2c1ccccc1 ZINC001167983404 1102877314 /nfs/dbraw/zinc/87/73/14/1102877314.db2.gz HLOOCSBSRQZDLL-INXDJGNKSA-N 2 2 361.533 4.299 20 0 FIADLP c1cc2n(c1)CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)[C@@H]2c1ccccc1 ZINC001167983404 1102877337 /nfs/dbraw/zinc/87/73/37/1102877337.db2.gz HLOOCSBSRQZDLL-INXDJGNKSA-N 2 2 361.533 4.299 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1ccccc1 ZINC000608071722 1102905667 /nfs/dbraw/zinc/90/56/67/1102905667.db2.gz JJWRKWDSCJRMBT-QGZVFWFLSA-N 2 2 354.523 4.248 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000551311549 1103088092 /nfs/dbraw/zinc/08/80/92/1103088092.db2.gz ZSFZFPLPEQFMRX-YZVAWVHESA-N 2 2 369.940 4.481 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000551311549 1103088110 /nfs/dbraw/zinc/08/81/10/1103088110.db2.gz ZSFZFPLPEQFMRX-YZVAWVHESA-N 2 2 369.940 4.481 20 0 FIADLP CSCc1cc(F)ccc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507487663 1103435217 /nfs/dbraw/zinc/43/52/17/1103435217.db2.gz RRVGRLDIBIESCX-UHFFFAOYSA-N 2 2 364.452 4.195 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000519831524 1103887446 /nfs/dbraw/zinc/88/74/46/1103887446.db2.gz XQEXVSVSSIKGQA-IEBWSBKVSA-N 2 2 357.542 4.134 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000519831524 1103887455 /nfs/dbraw/zinc/88/74/55/1103887455.db2.gz XQEXVSVSSIKGQA-IEBWSBKVSA-N 2 2 357.542 4.134 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ncc(C(F)(F)F)cc1Cl ZINC000924645322 1103965416 /nfs/dbraw/zinc/96/54/16/1103965416.db2.gz IGCRQRNPFVYWGJ-LLVKDONJSA-N 2 2 372.822 4.180 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441417931 1104343174 /nfs/dbraw/zinc/34/31/74/1104343174.db2.gz HHCCDNRXOKAJPZ-RXVVDRJESA-N 2 2 351.494 4.099 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441417931 1104343187 /nfs/dbraw/zinc/34/31/87/1104343187.db2.gz HHCCDNRXOKAJPZ-RXVVDRJESA-N 2 2 351.494 4.099 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441417931 1104343199 /nfs/dbraw/zinc/34/31/99/1104343199.db2.gz HHCCDNRXOKAJPZ-RXVVDRJESA-N 2 2 351.494 4.099 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441417931 1104343210 /nfs/dbraw/zinc/34/32/10/1104343210.db2.gz HHCCDNRXOKAJPZ-RXVVDRJESA-N 2 2 351.494 4.099 20 0 FIADLP Clc1ccc(-c2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)on2)cc1 ZINC000441432187 1104623007 /nfs/dbraw/zinc/62/30/07/1104623007.db2.gz CWRIQSIPMHCSPH-MRXNPFEDSA-N 2 2 359.901 4.303 20 0 FIADLP Clc1ccc(-c2cc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)on2)cc1 ZINC000441432187 1104623012 /nfs/dbraw/zinc/62/30/12/1104623012.db2.gz CWRIQSIPMHCSPH-MRXNPFEDSA-N 2 2 359.901 4.303 20 0 FIADLP COCCC1(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)CCCCC1 ZINC000189030394 1104778727 /nfs/dbraw/zinc/77/87/27/1104778727.db2.gz QPDXCBKMCKMJSR-UHFFFAOYSA-N 2 2 355.526 4.051 20 0 FIADLP CC[N@H+](C)[C@@H](C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1)c1ccccc1 ZINC000729525858 1105193774 /nfs/dbraw/zinc/19/37/74/1105193774.db2.gz OFQKZVOOGGEUJG-HXUWFJFHSA-N 2 2 362.477 4.325 20 0 FIADLP CC[N@@H+](C)[C@@H](C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1)c1ccccc1 ZINC000729525858 1105193780 /nfs/dbraw/zinc/19/37/80/1105193780.db2.gz OFQKZVOOGGEUJG-HXUWFJFHSA-N 2 2 362.477 4.325 20 0 FIADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000507866915 1105248652 /nfs/dbraw/zinc/24/86/52/1105248652.db2.gz VGXVSQUSZZBIGQ-NRFANRHFSA-N 2 2 356.460 4.249 20 0 FIADLP Cc1cc(Cl)cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000507877534 1105252778 /nfs/dbraw/zinc/25/27/78/1105252778.db2.gz VXUQATJKAFIEGP-UHFFFAOYSA-N 2 2 357.929 4.182 20 0 FIADLP Cc1cc(Cl)cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000507877534 1105252792 /nfs/dbraw/zinc/25/27/92/1105252792.db2.gz VXUQATJKAFIEGP-UHFFFAOYSA-N 2 2 357.929 4.182 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCc3ncc(C(F)(F)F)cc31)CCC2 ZINC000427710520 1105255049 /nfs/dbraw/zinc/25/50/49/1105255049.db2.gz FJVOSMZSIKXXOK-XJKSGUPXSA-N 2 2 364.415 4.150 20 0 FIADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1OCCC ZINC000427852282 1105295350 /nfs/dbraw/zinc/29/53/50/1105295350.db2.gz LUAPZARVOPOOKO-FUHWJXTLSA-N 2 2 357.498 4.126 20 0 FIADLP Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427876390 1105300020 /nfs/dbraw/zinc/30/00/20/1105300020.db2.gz MHHMRUQDSJHTRM-RISCZKNCSA-N 2 2 352.265 4.008 20 0 FIADLP Clc1ccc(C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427866199 1105303017 /nfs/dbraw/zinc/30/30/17/1105303017.db2.gz KIYFZZFYJJTIFS-PMACEKPBSA-N 2 2 351.881 4.425 20 0 FIADLP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427871205 1105305485 /nfs/dbraw/zinc/30/54/85/1105305485.db2.gz IDYGOSPRPQWOPV-AZUAARDMSA-N 2 2 353.510 4.154 20 0 FIADLP C[C@H](CCc1ccsc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475358382 1106756000 /nfs/dbraw/zinc/75/60/00/1106756000.db2.gz NCWHTONCQXSZQE-NVPAJSRCSA-N 2 2 360.489 4.464 20 0 FIADLP C[C@H]1CC([NH+]2CC3(C2)CC(F)(F)CS3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063193 1106799166 /nfs/dbraw/zinc/79/91/66/1106799166.db2.gz MJSYOUKCFQBZEA-HOTGVXAUSA-N 2 2 366.521 4.255 20 0 FIADLP O=C(CCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000450924899 1106820042 /nfs/dbraw/zinc/82/00/42/1106820042.db2.gz HITHJKZSCRDGST-SFHVURJKSA-N 2 2 369.484 4.201 20 0 FIADLP O=C(CCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000450924899 1106820065 /nfs/dbraw/zinc/82/00/65/1106820065.db2.gz HITHJKZSCRDGST-SFHVURJKSA-N 2 2 369.484 4.201 20 0 FIADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CC[NH2+]C24CCC4)CCC3)cc1 ZINC000530217931 1106918504 /nfs/dbraw/zinc/91/85/04/1106918504.db2.gz HWWJTNRTMHPASG-AEFFLSMTSA-N 2 2 369.534 4.070 20 0 FIADLP Cc1cc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000301176785 1106954535 /nfs/dbraw/zinc/95/45/35/1106954535.db2.gz ZPKVORXMEOJEIG-UHFFFAOYSA-N 2 2 352.526 4.257 20 0 FIADLP Cc1cc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000301176785 1106954536 /nfs/dbraw/zinc/95/45/36/1106954536.db2.gz ZPKVORXMEOJEIG-UHFFFAOYSA-N 2 2 352.526 4.257 20 0 FIADLP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccc1)c1ccccc1Br ZINC000530354843 1106981237 /nfs/dbraw/zinc/98/12/37/1106981237.db2.gz OCGIQUXKJHCDSL-IBGZPJMESA-N 2 2 370.294 4.104 20 0 FIADLP C[N@@H+]1CCC[C@@H](CNc2cc(N3CCCCC3)[nH+]cn2)[C@@H]1c1cccs1 ZINC000301426683 1107026167 /nfs/dbraw/zinc/02/61/67/1107026167.db2.gz PDHVRBBPWGSWLQ-OXJNMPFZSA-N 2 2 371.554 4.023 20 0 FIADLP C[N@H+]1CCC[C@@H](CNc2cc(N3CCCCC3)[nH+]cn2)[C@@H]1c1cccs1 ZINC000301426683 1107026183 /nfs/dbraw/zinc/02/61/83/1107026183.db2.gz PDHVRBBPWGSWLQ-OXJNMPFZSA-N 2 2 371.554 4.023 20 0 FIADLP C[N@@H+]1CCC[C@@H](CNc2cc(N3CCCCC3)nc[nH+]2)[C@@H]1c1cccs1 ZINC000301426683 1107026199 /nfs/dbraw/zinc/02/61/99/1107026199.db2.gz PDHVRBBPWGSWLQ-OXJNMPFZSA-N 2 2 371.554 4.023 20 0 FIADLP C[N@H+]1CCC[C@@H](CNc2cc(N3CCCCC3)nc[nH+]2)[C@@H]1c1cccs1 ZINC000301426683 1107026215 /nfs/dbraw/zinc/02/62/15/1107026215.db2.gz PDHVRBBPWGSWLQ-OXJNMPFZSA-N 2 2 371.554 4.023 20 0 FIADLP CSc1cccc([C@H]([NH2+]CCc2c[nH+]cn2C)c2cc(F)ccc2F)c1 ZINC000530460385 1107054155 /nfs/dbraw/zinc/05/41/55/1107054155.db2.gz PMIAYFDRDYJBJU-FQEVSTJZSA-N 2 2 373.472 4.342 20 0 FIADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ccnc(C(C)(C)C)n3)cc2)CC1 ZINC000301516965 1107055779 /nfs/dbraw/zinc/05/57/79/1107055779.db2.gz GQDCIHBVUQUDGE-UHFFFAOYSA-N 2 2 367.541 4.296 20 0 FIADLP Cc1[nH+]ccn1CC[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000451379374 1107056439 /nfs/dbraw/zinc/05/64/39/1107056439.db2.gz AGLRAIUYBMLWBW-UHFFFAOYSA-N 2 2 374.410 4.308 20 0 FIADLP Cc1[nH+]ccn1CC[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000451379374 1107056455 /nfs/dbraw/zinc/05/64/55/1107056455.db2.gz AGLRAIUYBMLWBW-UHFFFAOYSA-N 2 2 374.410 4.308 20 0 FIADLP Cc1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301617725 1107089479 /nfs/dbraw/zinc/08/94/79/1107089479.db2.gz AXWAUGQNTKPEGK-YJYMSZOUSA-N 2 2 372.419 4.429 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[N@@H+]1C ZINC000531378937 1107799603 /nfs/dbraw/zinc/79/96/03/1107799603.db2.gz WBAUKFNXRJZZPK-AUSIDOKSSA-N 2 2 374.532 4.454 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[N@H+]1C ZINC000531378937 1107799622 /nfs/dbraw/zinc/79/96/22/1107799622.db2.gz WBAUKFNXRJZZPK-AUSIDOKSSA-N 2 2 374.532 4.454 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[NH+]1C ZINC000531378937 1107799637 /nfs/dbraw/zinc/79/96/37/1107799637.db2.gz WBAUKFNXRJZZPK-AUSIDOKSSA-N 2 2 374.532 4.454 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[NH+]1C ZINC000531378937 1107799655 /nfs/dbraw/zinc/79/96/55/1107799655.db2.gz WBAUKFNXRJZZPK-AUSIDOKSSA-N 2 2 374.532 4.454 20 0 FIADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000531430343 1107876183 /nfs/dbraw/zinc/87/61/83/1107876183.db2.gz ZJEOHOBDZVOGIU-WMZOPIPTSA-N 2 2 358.555 4.195 20 0 FIADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)CO2 ZINC000571680115 1107895188 /nfs/dbraw/zinc/89/51/88/1107895188.db2.gz IZJBCKKDRABNRX-AZUAARDMSA-N 2 2 352.453 4.046 20 0 FIADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)CO2 ZINC000571680115 1107895211 /nfs/dbraw/zinc/89/52/11/1107895211.db2.gz IZJBCKKDRABNRX-AZUAARDMSA-N 2 2 352.453 4.046 20 0 FIADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000531677884 1108066078 /nfs/dbraw/zinc/06/60/78/1108066078.db2.gz IVDCWAFMDLMLJD-QHCPKHFHSA-N 2 2 351.538 4.328 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000453065184 1108143131 /nfs/dbraw/zinc/14/31/31/1108143131.db2.gz SSZYWPDHFTUTAN-KRWDZBQOSA-N 2 2 351.494 4.399 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453202697 1108273725 /nfs/dbraw/zinc/27/37/25/1108273725.db2.gz ZHKMHFJHZNCHOD-WSTZPKSXSA-N 2 2 366.553 4.391 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000453202697 1108273735 /nfs/dbraw/zinc/27/37/35/1108273735.db2.gz ZHKMHFJHZNCHOD-WSTZPKSXSA-N 2 2 366.553 4.391 20 0 FIADLP C[NH+](C)Cc1cnc(CNc2[nH+]c3ccccc3n2C2CCCCC2)s1 ZINC000508516284 1108378336 /nfs/dbraw/zinc/37/83/36/1108378336.db2.gz LQLFZVLLEBCXGZ-UHFFFAOYSA-N 2 2 369.538 4.094 20 0 FIADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453321894 1108413705 /nfs/dbraw/zinc/41/37/05/1108413705.db2.gz HSSNZCGFHAKIJO-LLBVYWAGSA-N 2 2 371.569 4.414 20 0 FIADLP CCC[C@H](C)[C@H](CC)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453332787 1108424668 /nfs/dbraw/zinc/42/46/68/1108424668.db2.gz VPOUQTGDTXHJJD-JTSKRJEESA-N 2 2 359.558 4.414 20 0 FIADLP OCC1([C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2)CCCC1 ZINC000453624974 1108649454 /nfs/dbraw/zinc/64/94/54/1108649454.db2.gz YOMDEIZCLKJGCK-JOCHJYFZSA-N 2 2 361.489 4.256 20 0 FIADLP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)c2C1 ZINC000524127648 1108849903 /nfs/dbraw/zinc/84/99/03/1108849903.db2.gz DVVRAHFZUQCHNE-UHFFFAOYSA-N 2 2 374.488 4.486 20 0 FIADLP CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)c2C1 ZINC000524127648 1108849909 /nfs/dbraw/zinc/84/99/09/1108849909.db2.gz DVVRAHFZUQCHNE-UHFFFAOYSA-N 2 2 374.488 4.486 20 0 FIADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000524233261 1108928126 /nfs/dbraw/zinc/92/81/26/1108928126.db2.gz OWWGIBYSLSGWRQ-UHFFFAOYSA-N 2 2 374.488 4.153 20 0 FIADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000525182002 1109293639 /nfs/dbraw/zinc/29/36/39/1109293639.db2.gz PEQJRFKHCJAWAZ-GFCCVEGCSA-N 2 2 354.281 4.174 20 0 FIADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)cc1Cl ZINC000446744241 1109327307 /nfs/dbraw/zinc/32/73/07/1109327307.db2.gz XUHOJYKKQWAAHW-HNNXBMFYSA-N 2 2 356.695 4.430 20 0 FIADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(F)c1 ZINC000446942208 1109396619 /nfs/dbraw/zinc/39/66/19/1109396619.db2.gz QJEURSKPIAFRRS-FQEVSTJZSA-N 2 2 356.489 4.314 20 0 FIADLP O[C@H](C[NH+]1CCC[C@H]1c1ccsc1)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000447130602 1109454296 /nfs/dbraw/zinc/45/42/96/1109454296.db2.gz ZUZYWFFACTZHGC-REPLKXPHSA-N 2 2 362.564 4.145 20 0 FIADLP O[C@H](C[NH+]1CCC[C@H]1c1ccsc1)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000447130602 1109454299 /nfs/dbraw/zinc/45/42/99/1109454299.db2.gz ZUZYWFFACTZHGC-REPLKXPHSA-N 2 2 362.564 4.145 20 0 FIADLP O[C@@H](C[NH+]1CCC[C@@H]1c1ccsc1)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000447130602 1109454303 /nfs/dbraw/zinc/45/43/03/1109454303.db2.gz ZUZYWFFACTZHGC-REPLKXPHSA-N 2 2 362.564 4.145 20 0 FIADLP O[C@@H](C[NH+]1CCC[C@@H]1c1ccsc1)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000447130602 1109454305 /nfs/dbraw/zinc/45/43/05/1109454305.db2.gz ZUZYWFFACTZHGC-REPLKXPHSA-N 2 2 362.564 4.145 20 0 FIADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@H](C)c3ccccc3)CCCC2)no1 ZINC000447819875 1109647170 /nfs/dbraw/zinc/64/71/70/1109647170.db2.gz CPQIEVAVSVCBTE-KRWDZBQOSA-N 2 2 356.514 4.074 20 0 FIADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2F)CC1 ZINC000527099157 1109691677 /nfs/dbraw/zinc/69/16/77/1109691677.db2.gz XQRATELZMOJGKD-CYBMUJFWSA-N 2 2 357.311 4.359 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(F)c(Br)cc1F ZINC000527854431 1109838855 /nfs/dbraw/zinc/83/88/55/1109838855.db2.gz SJWQEPSZJKDYAL-LLVKDONJSA-N 2 2 373.285 4.395 20 0 FIADLP C[C@H](Cc1coc2ccccc12)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000449070736 1109972295 /nfs/dbraw/zinc/97/22/95/1109972295.db2.gz FDUWDGMNJBRZGZ-GOSISDBHSA-N 2 2 359.473 4.441 20 0 FIADLP CC(C)C[NH+]1CCC([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449070921 1109972431 /nfs/dbraw/zinc/97/24/31/1109972431.db2.gz FXUMZWIORMOWHH-UHFFFAOYSA-N 3 2 351.623 4.376 20 0 FIADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)CC2 ZINC000449078413 1109973706 /nfs/dbraw/zinc/97/37/06/1109973706.db2.gz UZILXCRLTWBRPV-QGZVFWFLSA-N 2 2 357.379 4.126 20 0 FIADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](c2cccs2)N(C)C)CC1 ZINC000449219039 1109999730 /nfs/dbraw/zinc/99/97/30/1109999730.db2.gz MCTFMFSQFBUYTE-NQIIRXRSSA-N 2 2 371.594 4.036 20 0 FIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnn1C1CCCC1 ZINC000449306587 1110022558 /nfs/dbraw/zinc/02/25/58/1110022558.db2.gz LQZWNPILJQYMHH-JOCHJYFZSA-N 2 2 366.553 4.389 20 0 FIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnn1C1CCCC1 ZINC000449306587 1110022563 /nfs/dbraw/zinc/02/25/63/1110022563.db2.gz LQZWNPILJQYMHH-JOCHJYFZSA-N 2 2 366.553 4.389 20 0 FIADLP C[N@H+](Cc1cnc(-c2c(F)cccc2F)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000449323084 1110025913 /nfs/dbraw/zinc/02/59/13/1110025913.db2.gz RPWMIPYGWZHVEE-PBWFPOADSA-N 2 2 363.477 4.145 20 0 FIADLP C[N@@H+](Cc1cnc(-c2c(F)cccc2F)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000449323084 1110025918 /nfs/dbraw/zinc/02/59/18/1110025918.db2.gz RPWMIPYGWZHVEE-PBWFPOADSA-N 2 2 363.477 4.145 20 0 FIADLP C[NH+](Cc1cnc(-c2c(F)cccc2F)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449323084 1110025921 /nfs/dbraw/zinc/02/59/21/1110025921.db2.gz RPWMIPYGWZHVEE-PBWFPOADSA-N 2 2 363.477 4.145 20 0 FIADLP C[NH+](Cc1cnc(-c2c(F)cccc2F)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449323084 1110025927 /nfs/dbraw/zinc/02/59/27/1110025927.db2.gz RPWMIPYGWZHVEE-PBWFPOADSA-N 2 2 363.477 4.145 20 0 FIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000449349345 1110037699 /nfs/dbraw/zinc/03/76/99/1110037699.db2.gz FQPPKONLQXVRHQ-UHFFFAOYSA-N 2 2 366.896 4.284 20 0 FIADLP Brc1ccc(/C=C/C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000449455729 1110076129 /nfs/dbraw/zinc/07/61/29/1110076129.db2.gz LPZMPECTZVEVLD-ONEGZZNKSA-N 2 2 372.310 4.116 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000449524531 1110099000 /nfs/dbraw/zinc/09/90/00/1110099000.db2.gz OMAYOOWTXMCTJV-HYFFOGBASA-N 2 2 357.542 4.024 20 0 FIADLP CC(C)c1nnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000450494000 1110306274 /nfs/dbraw/zinc/30/62/74/1110306274.db2.gz IBGKSBKASOYFKN-INIZCTEOSA-N 2 2 350.576 4.138 20 0 FIADLP CC(C)c1nnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000450494000 1110306276 /nfs/dbraw/zinc/30/62/76/1110306276.db2.gz IBGKSBKASOYFKN-INIZCTEOSA-N 2 2 350.576 4.138 20 0 FIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)CC1CC(F)(F)C1 ZINC000450565494 1110314408 /nfs/dbraw/zinc/31/44/08/1110314408.db2.gz ZSVVLVQFJCMKOX-UHFFFAOYSA-N 2 2 363.452 4.219 20 0 FIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)CC1CC(F)(F)C1 ZINC000450565494 1110314410 /nfs/dbraw/zinc/31/44/10/1110314410.db2.gz ZSVVLVQFJCMKOX-UHFFFAOYSA-N 2 2 363.452 4.219 20 0 FIADLP CC[C@@H](C[NH2+]C1(c2noc(C[NH+](CC)CC)n2)CCCC1)c1ccccc1 ZINC000538408973 1111129660 /nfs/dbraw/zinc/12/96/60/1111129660.db2.gz AMQGWNBNJUFVMU-SFHVURJKSA-N 2 2 370.541 4.464 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@H](OCc3ccccc3)C1(C)C)CCC2 ZINC000538510110 1111174225 /nfs/dbraw/zinc/17/42/25/1111174225.db2.gz MMZXZLLQBKFSQX-ZCNNSNEGSA-N 2 2 353.510 4.042 20 0 FIADLP CSc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000538558255 1111192762 /nfs/dbraw/zinc/19/27/62/1111192762.db2.gz UXVVHJOFDYDPGJ-QAPCUYQASA-N 2 2 356.539 4.117 20 0 FIADLP CCCCOc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1OC ZINC000538719139 1111261078 /nfs/dbraw/zinc/26/10/78/1111261078.db2.gz MQSTXMXVVIQJSU-HXUWFJFHSA-N 2 2 360.542 4.324 20 0 FIADLP CCCCOc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1OC ZINC000538719139 1111261083 /nfs/dbraw/zinc/26/10/83/1111261083.db2.gz MQSTXMXVVIQJSU-HXUWFJFHSA-N 2 2 360.542 4.324 20 0 FIADLP FC(F)Oc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000538799339 1111295474 /nfs/dbraw/zinc/29/54/74/1111295474.db2.gz ZXSBBEVLDQWTFO-PBHICJAKSA-N 2 2 370.871 4.390 20 0 FIADLP FC(F)Oc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000538799339 1111295477 /nfs/dbraw/zinc/29/54/77/1111295477.db2.gz ZXSBBEVLDQWTFO-PBHICJAKSA-N 2 2 370.871 4.390 20 0 FIADLP FC(F)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000538799339 1111295478 /nfs/dbraw/zinc/29/54/78/1111295478.db2.gz ZXSBBEVLDQWTFO-PBHICJAKSA-N 2 2 370.871 4.390 20 0 FIADLP FC(F)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000538799339 1111295481 /nfs/dbraw/zinc/29/54/81/1111295481.db2.gz ZXSBBEVLDQWTFO-PBHICJAKSA-N 2 2 370.871 4.390 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000538869879 1111328831 /nfs/dbraw/zinc/32/88/31/1111328831.db2.gz VBSSKUKKEJCXMV-GOSISDBHSA-N 2 2 374.326 4.192 20 0 FIADLP CC(C)([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1Br ZINC001168359879 1111373030 /nfs/dbraw/zinc/37/30/30/1111373030.db2.gz GIEXWOUFWIPLQY-UHFFFAOYSA-N 2 2 351.332 4.148 20 0 FIADLP FC(F)(F)Oc1cccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)C2CC2)c1 ZINC000552033869 1111450382 /nfs/dbraw/zinc/45/03/82/1111450382.db2.gz WGOWJEQIPYVJJX-KRWDZBQOSA-N 2 2 353.388 4.303 20 0 FIADLP C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000477854696 1111586954 /nfs/dbraw/zinc/58/69/54/1111586954.db2.gz GWCCITCYHILGMI-YYDVJCTNSA-N 2 2 363.505 4.153 20 0 FIADLP COCc1ccccc1/C=C(/C)C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000552246438 1111636957 /nfs/dbraw/zinc/63/69/57/1111636957.db2.gz USOBVTSXVBRNBE-CYVLTUHYSA-N 2 2 368.521 4.426 20 0 FIADLP COCc1ccccc1/C=C(/C)C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000552246438 1111636960 /nfs/dbraw/zinc/63/69/60/1111636960.db2.gz USOBVTSXVBRNBE-CYVLTUHYSA-N 2 2 368.521 4.426 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000553180542 1111925588 /nfs/dbraw/zinc/92/55/88/1111925588.db2.gz ZHKAIBAJLZJUEE-NQIIRXRSSA-N 2 2 368.569 4.203 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000553180542 1111925589 /nfs/dbraw/zinc/92/55/89/1111925589.db2.gz ZHKAIBAJLZJUEE-NQIIRXRSSA-N 2 2 368.569 4.203 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000553180542 1111925591 /nfs/dbraw/zinc/92/55/91/1111925591.db2.gz ZHKAIBAJLZJUEE-NQIIRXRSSA-N 2 2 368.569 4.203 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000553180542 1111925592 /nfs/dbraw/zinc/92/55/92/1111925592.db2.gz ZHKAIBAJLZJUEE-NQIIRXRSSA-N 2 2 368.569 4.203 20 0 FIADLP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000479069042 1111940407 /nfs/dbraw/zinc/94/04/07/1111940407.db2.gz YGTJZYFAOQKNHV-FQEVSTJZSA-N 2 2 361.493 4.127 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCc3cc(Br)ccc31)CCC2 ZINC000479071603 1111940678 /nfs/dbraw/zinc/94/06/78/1111940678.db2.gz RSHLIVDKXCUBPY-MAUKXSAKSA-N 2 2 374.326 4.499 20 0 FIADLP Cc1cc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc(C(C)C)[nH+]1 ZINC000553336069 1111951865 /nfs/dbraw/zinc/95/18/65/1111951865.db2.gz GRKCEQBMIAVIED-JOCHJYFZSA-N 2 2 350.510 4.011 20 0 FIADLP Cc1cc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc(C(C)C)[nH+]1 ZINC000553336069 1111951866 /nfs/dbraw/zinc/95/18/66/1111951866.db2.gz GRKCEQBMIAVIED-JOCHJYFZSA-N 2 2 350.510 4.011 20 0 FIADLP CCO[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C12CCCC2 ZINC000479484455 1112040424 /nfs/dbraw/zinc/04/04/24/1112040424.db2.gz QZVZUBIMFLTODF-ZGUYJTEBSA-N 2 2 374.491 4.119 20 0 FIADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479484465 1112040597 /nfs/dbraw/zinc/04/05/97/1112040597.db2.gz RDEUQMBQJQNJEQ-NNOIFHNPSA-N 2 2 352.444 4.315 20 0 FIADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(F)c(F)c1 ZINC000479468781 1112042235 /nfs/dbraw/zinc/04/22/35/1112042235.db2.gz DZZCQVYNMYGICT-QGLTVNCISA-N 2 2 362.386 4.421 20 0 FIADLP Cc1c([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cnn1-c1cc(C)ccc1C ZINC000479518244 1112057796 /nfs/dbraw/zinc/05/77/96/1112057796.db2.gz QAQGOMTWSHBDSQ-KMFTYDHNSA-N 2 2 366.553 4.465 20 0 FIADLP Cc1cc2[nH]c(C[NH2+][C@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)cc2c(C)c1 ZINC000479566770 1112074260 /nfs/dbraw/zinc/07/42/60/1112074260.db2.gz WPQKFKWPMGAIIW-INIZCTEOSA-N 2 2 350.510 4.383 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000553945035 1112140493 /nfs/dbraw/zinc/14/04/93/1112140493.db2.gz SGCDGAIIJIQPTB-HXUWFJFHSA-N 2 2 355.869 4.047 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccsc2S1 ZINC000479919724 1112189960 /nfs/dbraw/zinc/18/99/60/1112189960.db2.gz ZYIWIZHBBCVNPH-HNAYVOBHSA-N 2 2 374.575 4.296 20 0 FIADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000480165071 1112311889 /nfs/dbraw/zinc/31/18/89/1112311889.db2.gz HSIFZSSWGOWCPU-FQEVSTJZSA-N 2 2 362.521 4.104 20 0 FIADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000480165071 1112311894 /nfs/dbraw/zinc/31/18/94/1112311894.db2.gz HSIFZSSWGOWCPU-FQEVSTJZSA-N 2 2 362.521 4.104 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@H]1C ZINC000667664289 1112395298 /nfs/dbraw/zinc/39/52/98/1112395298.db2.gz HPQJNSKXAXOQOY-VQIMIIECSA-N 2 2 357.473 4.318 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@H]1C ZINC000667664289 1112395307 /nfs/dbraw/zinc/39/53/07/1112395307.db2.gz HPQJNSKXAXOQOY-VQIMIIECSA-N 2 2 357.473 4.318 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@H]1C ZINC000667664289 1112395313 /nfs/dbraw/zinc/39/53/13/1112395313.db2.gz HPQJNSKXAXOQOY-VQIMIIECSA-N 2 2 357.473 4.318 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@H]1C ZINC000667664289 1112395319 /nfs/dbraw/zinc/39/53/19/1112395319.db2.gz HPQJNSKXAXOQOY-VQIMIIECSA-N 2 2 357.473 4.318 20 0 FIADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3nc4cccc(Cl)c4n3C)CC2)C1 ZINC000480660471 1112526884 /nfs/dbraw/zinc/52/68/84/1112526884.db2.gz OQRPTXOMJUWPAX-RDJZCZTQSA-N 2 2 374.960 4.359 20 0 FIADLP COc1ccc2oc([C@H](C)[NH2+]CCc3cn4c([nH+]3)CCCC4)c(C)c2c1 ZINC000480768329 1112587526 /nfs/dbraw/zinc/58/75/26/1112587526.db2.gz NRLMWKKZRKRNOP-HNNXBMFYSA-N 2 2 353.466 4.176 20 0 FIADLP CC[N@H+](C[C@@H]1CCC(C)(C)O1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000480760846 1112590902 /nfs/dbraw/zinc/59/09/02/1112590902.db2.gz BSVLKYGBHTYBNT-IBGZPJMESA-N 2 2 374.573 4.157 20 0 FIADLP CC[N@@H+](C[C@@H]1CCC(C)(C)O1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000480760846 1112590906 /nfs/dbraw/zinc/59/09/06/1112590906.db2.gz BSVLKYGBHTYBNT-IBGZPJMESA-N 2 2 374.573 4.157 20 0 FIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000480774305 1112599230 /nfs/dbraw/zinc/59/92/30/1112599230.db2.gz ZFYKBPDKNALYST-CZUORRHYSA-N 2 2 356.470 4.201 20 0 FIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000480777876 1112600777 /nfs/dbraw/zinc/60/07/77/1112600777.db2.gz JKJVSFXOSHNDQV-IAGOWNOFSA-N 2 2 353.441 4.341 20 0 FIADLP Cc1[nH]c2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2c1C ZINC000481413137 1112929753 /nfs/dbraw/zinc/92/97/53/1112929753.db2.gz ALOYDWABGYGLKO-OPAMFIHVSA-N 2 2 362.521 4.180 20 0 FIADLP Cc1[nH]c2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2c1C ZINC000481413137 1112929754 /nfs/dbraw/zinc/92/97/54/1112929754.db2.gz ALOYDWABGYGLKO-OPAMFIHVSA-N 2 2 362.521 4.180 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000482075801 1113172081 /nfs/dbraw/zinc/17/20/81/1113172081.db2.gz KPFZKSMSWVPPIC-ZQAYVECASA-N 2 2 367.512 4.357 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000482075801 1113172082 /nfs/dbraw/zinc/17/20/82/1113172082.db2.gz KPFZKSMSWVPPIC-ZQAYVECASA-N 2 2 367.512 4.357 20 0 FIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000482460278 1113267595 /nfs/dbraw/zinc/26/75/95/1113267595.db2.gz XUCZGXHUQDVBNG-FGZHOGPDSA-N 2 2 356.485 4.112 20 0 FIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000482460278 1113267597 /nfs/dbraw/zinc/26/75/97/1113267597.db2.gz XUCZGXHUQDVBNG-FGZHOGPDSA-N 2 2 356.485 4.112 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c(Cl)s2)[C@H](C)C1 ZINC000483256774 1113474915 /nfs/dbraw/zinc/47/49/15/1113474915.db2.gz OSWLCMYPNNDBTJ-MFKMUULPSA-N 2 2 365.768 4.326 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c(Cl)s2)[C@H](C)C1 ZINC000483256774 1113474918 /nfs/dbraw/zinc/47/49/18/1113474918.db2.gz OSWLCMYPNNDBTJ-MFKMUULPSA-N 2 2 365.768 4.326 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)c(Cl)s2)[C@H](C)C1 ZINC000483256774 1113474920 /nfs/dbraw/zinc/47/49/20/1113474920.db2.gz OSWLCMYPNNDBTJ-MFKMUULPSA-N 2 2 365.768 4.326 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)c(Cl)s2)[C@H](C)C1 ZINC000483256774 1113474924 /nfs/dbraw/zinc/47/49/24/1113474924.db2.gz OSWLCMYPNNDBTJ-MFKMUULPSA-N 2 2 365.768 4.326 20 0 FIADLP C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486475180 1113576059 /nfs/dbraw/zinc/57/60/59/1113576059.db2.gz JPXNIEDTWVXRIU-RXVVDRJESA-N 2 2 361.489 4.342 20 0 FIADLP C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486475180 1113576064 /nfs/dbraw/zinc/57/60/64/1113576064.db2.gz JPXNIEDTWVXRIU-RXVVDRJESA-N 2 2 361.489 4.342 20 0 FIADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCCO2 ZINC000489533285 1114128826 /nfs/dbraw/zinc/12/88/26/1114128826.db2.gz LTKHCDBAKMBFNU-NRFANRHFSA-N 2 2 372.553 4.258 20 0 FIADLP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000491019705 1114361810 /nfs/dbraw/zinc/36/18/10/1114361810.db2.gz LGESSCDMXFYBPT-RDGATRHJSA-N 2 2 371.528 4.325 20 0 FIADLP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000491019705 1114361814 /nfs/dbraw/zinc/36/18/14/1114361814.db2.gz LGESSCDMXFYBPT-RDGATRHJSA-N 2 2 371.528 4.325 20 0 FIADLP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000491019701 1114362028 /nfs/dbraw/zinc/36/20/28/1114362028.db2.gz LGESSCDMXFYBPT-DHLKQENFSA-N 2 2 371.528 4.325 20 0 FIADLP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000491019701 1114362032 /nfs/dbraw/zinc/36/20/32/1114362032.db2.gz LGESSCDMXFYBPT-DHLKQENFSA-N 2 2 371.528 4.325 20 0 FIADLP CC(C)[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cccnc1 ZINC000164172615 1114442966 /nfs/dbraw/zinc/44/29/66/1114442966.db2.gz XGHNOOZERNSYTH-QHCPKHFHSA-N 2 2 366.553 4.146 20 0 FIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1scnc1C1CC1 ZINC000509453535 1114526588 /nfs/dbraw/zinc/52/65/88/1114526588.db2.gz YYTHAOKKYSXMFW-LJQANCHMSA-N 2 2 355.551 4.411 20 0 FIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1scnc1C1CC1 ZINC000509453535 1114526593 /nfs/dbraw/zinc/52/65/93/1114526593.db2.gz YYTHAOKKYSXMFW-LJQANCHMSA-N 2 2 355.551 4.411 20 0 FIADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cccc(OCCCc3ccccc3)c1)C2 ZINC000572208648 1114622079 /nfs/dbraw/zinc/62/20/79/1114622079.db2.gz XXPBJXKMYDIPEM-FQEVSTJZSA-N 2 2 361.489 4.068 20 0 FIADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081865 1115018490 /nfs/dbraw/zinc/01/84/90/1115018490.db2.gz AQWWKDCTPYVSGN-QUCCMNQESA-N 2 2 374.488 4.214 20 0 FIADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081865 1115018494 /nfs/dbraw/zinc/01/84/94/1115018494.db2.gz AQWWKDCTPYVSGN-QUCCMNQESA-N 2 2 374.488 4.214 20 0 FIADLP COc1ccc([C@H](C)[NH2+][C@H](C)c2nnc(C)s2)cc1C[NH+]1CCCCC1 ZINC000760881406 1115120255 /nfs/dbraw/zinc/12/02/55/1115120255.db2.gz OPZAXUQUFQHKDH-LSDHHAIUSA-N 2 2 374.554 4.253 20 0 FIADLP Cc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(Br)c1 ZINC000157757279 1115296662 /nfs/dbraw/zinc/29/66/62/1115296662.db2.gz KKJFUXCPOXOYGF-INIZCTEOSA-N 2 2 350.304 4.159 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000574996876 1115528939 /nfs/dbraw/zinc/52/89/39/1115528939.db2.gz SVNBSMPZBBLPPH-YZGWKJHDSA-N 2 2 361.489 4.343 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000574996876 1115528942 /nfs/dbraw/zinc/52/89/42/1115528942.db2.gz SVNBSMPZBBLPPH-YZGWKJHDSA-N 2 2 361.489 4.343 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000574996876 1115528945 /nfs/dbraw/zinc/52/89/45/1115528945.db2.gz SVNBSMPZBBLPPH-YZGWKJHDSA-N 2 2 361.489 4.343 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000574996876 1115528948 /nfs/dbraw/zinc/52/89/48/1115528948.db2.gz SVNBSMPZBBLPPH-YZGWKJHDSA-N 2 2 361.489 4.343 20 0 FIADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000669700355 1115818895 /nfs/dbraw/zinc/81/88/95/1115818895.db2.gz WEHMJCGDBYWBRU-UWJYYQICSA-N 2 2 363.509 4.366 20 0 FIADLP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254555 1115908074 /nfs/dbraw/zinc/90/80/74/1115908074.db2.gz TXFLJAVTVMMDCH-HNNXBMFYSA-N 2 2 371.916 4.073 20 0 FIADLP CCOc1ccc(O)c(/C=[NH+]/CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063427702 1116064224 /nfs/dbraw/zinc/06/42/24/1116064224.db2.gz XTJZOPKKJVZFPW-XQNSMLJCSA-N 2 2 352.478 4.122 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC[N@@H+]1C ZINC000608061395 1116079702 /nfs/dbraw/zinc/07/97/02/1116079702.db2.gz SFFAMVSUWCDSLA-XJKSGUPXSA-N 2 2 363.299 4.281 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC[N@H+]1C ZINC000608061395 1116079704 /nfs/dbraw/zinc/07/97/04/1116079704.db2.gz SFFAMVSUWCDSLA-XJKSGUPXSA-N 2 2 363.299 4.281 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(Br)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000608070389 1116080960 /nfs/dbraw/zinc/08/09/60/1116080960.db2.gz FZRGIKNIUGPEAZ-AWEZNQCLSA-N 2 2 356.267 4.486 20 0 FIADLP Clc1cc(Br)ccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000608054575 1116081812 /nfs/dbraw/zinc/08/18/12/1116081812.db2.gz OOBRDQCVUDOMCZ-UHFFFAOYSA-N 2 2 357.723 4.209 20 0 FIADLP Clc1ccc2cccnc2c1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534128732 1116162716 /nfs/dbraw/zinc/16/27/16/1116162716.db2.gz PSEIIPGACFSLLA-UHFFFAOYSA-N 2 2 352.869 4.360 20 0 FIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000509450463 1116198789 /nfs/dbraw/zinc/19/87/89/1116198789.db2.gz RLOWXZIXXPATRA-OAQYLSRUSA-N 2 2 364.493 4.060 20 0 FIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000509450463 1116198790 /nfs/dbraw/zinc/19/87/90/1116198790.db2.gz RLOWXZIXXPATRA-OAQYLSRUSA-N 2 2 364.493 4.060 20 0 FIADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1cccc(CO)c1 ZINC000535512580 1116314261 /nfs/dbraw/zinc/31/42/61/1116314261.db2.gz ZZJWQXBALZFFDD-MOPGFXCFSA-N 2 2 352.522 4.493 20 0 FIADLP c1ccc(COc2ccc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)cc2)nc1 ZINC000535575811 1116329510 /nfs/dbraw/zinc/32/95/10/1116329510.db2.gz KHBZMIRXBVJKDJ-UHFFFAOYSA-N 2 2 374.488 4.132 20 0 FIADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)s1 ZINC000539659380 1116360662 /nfs/dbraw/zinc/36/06/62/1116360662.db2.gz OOIYXEARSVYGDA-OCCSQVGLSA-N 2 2 350.919 4.110 20 0 FIADLP c1nc2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)ccc2[nH]1 ZINC000539898435 1117740599 /nfs/dbraw/zinc/74/05/99/1117740599.db2.gz XHDPEHGROSZSEI-NFBKMPQASA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)ccc2[nH]1 ZINC000539898435 1117740601 /nfs/dbraw/zinc/74/06/01/1117740601.db2.gz XHDPEHGROSZSEI-NFBKMPQASA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)ccc2[nH]1 ZINC000539898435 1117740602 /nfs/dbraw/zinc/74/06/02/1117740602.db2.gz XHDPEHGROSZSEI-NFBKMPQASA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)ccc2[nH]1 ZINC000539898435 1117740604 /nfs/dbraw/zinc/74/06/04/1117740604.db2.gz XHDPEHGROSZSEI-NFBKMPQASA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cc2[nH]1 ZINC000539898435 1117740607 /nfs/dbraw/zinc/74/06/07/1117740607.db2.gz XHDPEHGROSZSEI-NFBKMPQASA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2ccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cc2[nH]1 ZINC000539898435 1117740609 /nfs/dbraw/zinc/74/06/09/1117740609.db2.gz XHDPEHGROSZSEI-NFBKMPQASA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2[nH]1 ZINC000539898435 1117740610 /nfs/dbraw/zinc/74/06/10/1117740610.db2.gz XHDPEHGROSZSEI-NFBKMPQASA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)cc2[nH]1 ZINC000539898435 1117740612 /nfs/dbraw/zinc/74/06/12/1117740612.db2.gz XHDPEHGROSZSEI-NFBKMPQASA-N 2 2 360.505 4.049 20 0 FIADLP COCCCCc1ccc[nH+]c1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000462826255 1117797731 /nfs/dbraw/zinc/79/77/31/1117797731.db2.gz OCWDUBYNZOIWNH-UHFFFAOYSA-N 2 2 367.537 4.170 20 0 FIADLP Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000540152834 1117906872 /nfs/dbraw/zinc/90/68/72/1117906872.db2.gz SBBQLIGOFFLBQA-IRLDBZIGSA-N 2 2 365.521 4.339 20 0 FIADLP CCCOc1ncccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463071263 1117956153 /nfs/dbraw/zinc/95/61/53/1117956153.db2.gz JUVVPIXESVXVME-NQIIRXRSSA-N 2 2 353.510 4.013 20 0 FIADLP CCCOc1ncccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463071263 1117956155 /nfs/dbraw/zinc/95/61/55/1117956155.db2.gz JUVVPIXESVXVME-NQIIRXRSSA-N 2 2 353.510 4.013 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000540302330 1117976356 /nfs/dbraw/zinc/97/63/56/1117976356.db2.gz OWLUZTNVFJVEHD-IBGZPJMESA-N 2 2 350.934 4.270 20 0 FIADLP C[C@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[NH+]1CCC(C)CC1 ZINC000463117645 1117977664 /nfs/dbraw/zinc/97/76/64/1117977664.db2.gz IUUSRDPININULS-GOSISDBHSA-N 2 2 363.977 4.014 20 0 FIADLP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463279048 1118066903 /nfs/dbraw/zinc/06/69/03/1118066903.db2.gz YCEQFOFIUXDTPQ-JOCHJYFZSA-N 2 2 368.496 4.336 20 0 FIADLP CC1(c2cccc(Br)c2)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000540592372 1118137689 /nfs/dbraw/zinc/13/76/89/1118137689.db2.gz LWKOTJQEHQUPOQ-UHFFFAOYSA-N 2 2 362.315 4.089 20 0 FIADLP CCCOc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000540757270 1118225179 /nfs/dbraw/zinc/22/51/79/1118225179.db2.gz LLFLNTYUBPSHJT-PXNSSMCTSA-N 2 2 368.525 4.184 20 0 FIADLP Cc1ccc([C@@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)C2CC2)cc1 ZINC000540757141 1118225186 /nfs/dbraw/zinc/22/51/86/1118225186.db2.gz ZHKBRGBAMNZFPG-RBBKRZOGSA-N 2 2 350.510 4.094 20 0 FIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](CC3CC3)c3ccccc3)[nH+]c2)C1 ZINC000540757823 1118225680 /nfs/dbraw/zinc/22/56/80/1118225680.db2.gz DGGBQLGODINJNG-NHCUHLMSSA-N 2 2 350.510 4.175 20 0 FIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCSc4c(F)cccc43)[nH+]c2)C1 ZINC000540757873 1118226007 /nfs/dbraw/zinc/22/60/07/1118226007.db2.gz LNPWOKZBVCQHJC-QAPCUYQASA-N 2 2 372.513 4.010 20 0 FIADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(F)c1F ZINC000540789146 1118248142 /nfs/dbraw/zinc/24/81/42/1118248142.db2.gz LXMHVTDQRRMVNV-AWEZNQCLSA-N 2 2 360.452 4.063 20 0 FIADLP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000151713027 1118967175 /nfs/dbraw/zinc/96/71/75/1118967175.db2.gz OBPDBNLXVHDIAP-QZTJIDSGSA-N 2 2 374.488 4.411 20 0 FIADLP CCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000177968690 1119362718 /nfs/dbraw/zinc/36/27/18/1119362718.db2.gz IXWKQYHUTAQRJD-MRXNPFEDSA-N 2 2 357.567 4.372 20 0 FIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccnn1-c1ccccc1 ZINC000467308897 1119385457 /nfs/dbraw/zinc/38/54/57/1119385457.db2.gz SIJPGLVUBYIOGP-LJQANCHMSA-N 2 2 371.488 4.010 20 0 FIADLP O[C@]1(C[NH2+]C(c2ccccc2)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000493246341 1119430661 /nfs/dbraw/zinc/43/06/61/1119430661.db2.gz IAMCQZBTHVQJBZ-VWLOTQADSA-N 2 2 372.512 4.003 20 0 FIADLP O[C@]1(C[NH2+]C(c2ccccc2)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000493246341 1119430662 /nfs/dbraw/zinc/43/06/62/1119430662.db2.gz IAMCQZBTHVQJBZ-VWLOTQADSA-N 2 2 372.512 4.003 20 0 FIADLP COc1ccc([C@H]([NH2+]CCCNc2cccc[nH+]2)c2ccc(F)cc2)cc1 ZINC000493249932 1119434850 /nfs/dbraw/zinc/43/48/50/1119434850.db2.gz QXMFJDSWNCJBNO-JOCHJYFZSA-N 2 2 365.452 4.411 20 0 FIADLP COC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000493889987 1119503627 /nfs/dbraw/zinc/50/36/27/1119503627.db2.gz ZUBYDTAOABYHFB-NRFANRHFSA-N 2 2 358.913 4.282 20 0 FIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(SC(F)F)cc1 ZINC000152821646 1119515262 /nfs/dbraw/zinc/51/52/62/1119515262.db2.gz QZHSRXNMUHJHTK-ZDUSSCGKSA-N 2 2 351.466 4.427 20 0 FIADLP COCC(C)(C)C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000494052671 1119530806 /nfs/dbraw/zinc/53/08/06/1119530806.db2.gz XUPWQVQYYHWMJU-UHFFFAOYSA-N 2 2 363.505 4.361 20 0 FIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000183711741 1119580242 /nfs/dbraw/zinc/58/02/42/1119580242.db2.gz SLTSQVBBNZKSSL-HNNXBMFYSA-N 2 2 374.326 4.159 20 0 FIADLP CCSc1cccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000185462047 1119664153 /nfs/dbraw/zinc/66/41/53/1119664153.db2.gz GQHWZAYQTZKJAO-UHFFFAOYSA-N 2 2 351.519 4.376 20 0 FIADLP CC(C)c1nc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cs1 ZINC000186316099 1119721074 /nfs/dbraw/zinc/72/10/74/1119721074.db2.gz IUIGQFWNGXRTNB-PKOBYXMFSA-N 2 2 357.567 4.482 20 0 FIADLP CC(C)c1nc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cs1 ZINC000186316099 1119721077 /nfs/dbraw/zinc/72/10/77/1119721077.db2.gz IUIGQFWNGXRTNB-PKOBYXMFSA-N 2 2 357.567 4.482 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000494522905 1119889428 /nfs/dbraw/zinc/88/94/28/1119889428.db2.gz GEGCBQZJRVQSIW-OAHLLOKOSA-N 2 2 369.372 4.448 20 0 FIADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000189960521 1119922043 /nfs/dbraw/zinc/92/20/43/1119922043.db2.gz KKWADMIRCCEZQP-HOTGVXAUSA-N 2 2 367.468 4.213 20 0 FIADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)CCS2 ZINC000191494167 1119979623 /nfs/dbraw/zinc/97/96/23/1119979623.db2.gz DQRPWNVSLFCKDI-HXUWFJFHSA-N 2 2 365.502 4.267 20 0 FIADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CCS2 ZINC000191493677 1119979707 /nfs/dbraw/zinc/97/97/07/1119979707.db2.gz MDEWLJQSDAVPKY-FQEVSTJZSA-N 2 2 365.502 4.267 20 0 FIADLP Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1C)CCC2 ZINC000192104558 1120019355 /nfs/dbraw/zinc/01/93/55/1120019355.db2.gz KUFJRYZVLSGNBV-IBGZPJMESA-N 2 2 352.507 4.455 20 0 FIADLP Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1C)CCC2 ZINC000192104558 1120019365 /nfs/dbraw/zinc/01/93/65/1120019365.db2.gz KUFJRYZVLSGNBV-IBGZPJMESA-N 2 2 352.507 4.455 20 0 FIADLP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2sccc2Cl)C[C@H](C)O1 ZINC000193031172 1120095509 /nfs/dbraw/zinc/09/55/09/1120095509.db2.gz GKIGQVKSWLIJHU-GJZGRUSLSA-N 2 2 364.942 4.301 20 0 FIADLP COC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000193964206 1120220449 /nfs/dbraw/zinc/22/04/49/1120220449.db2.gz ADHXGKNDAAGCNV-FQEVSTJZSA-N 2 2 369.896 4.105 20 0 FIADLP COC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000193966511 1120220984 /nfs/dbraw/zinc/22/09/84/1120220984.db2.gz YKCBAFWPZNLIRI-FQEVSTJZSA-N 2 2 355.869 4.062 20 0 FIADLP c1nnc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C2CCCCC2)[nH]1 ZINC000494878326 1120354979 /nfs/dbraw/zinc/35/49/79/1120354979.db2.gz LGVAHWSCVGLHSO-NRFANRHFSA-N 2 2 367.541 4.202 20 0 FIADLP Clc1ccccc1C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000494936823 1120388095 /nfs/dbraw/zinc/38/80/95/1120388095.db2.gz CLUAEBWMRJBWNZ-DOTOQJQBSA-N 2 2 357.910 4.486 20 0 FIADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC(c3ccccc3)c3ccccc3)[nH+]c2)C1 ZINC000495060972 1120449004 /nfs/dbraw/zinc/44/90/04/1120449004.db2.gz BQGSKFSWMLGJIS-JOCHJYFZSA-N 2 2 372.516 4.423 20 0 FIADLP C[C@H]([NH2+][C@H]1COc2ccc(Cl)cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495374114 1120759649 /nfs/dbraw/zinc/75/96/49/1120759649.db2.gz MLCZFBUFXOYLGR-KNBMTAEXSA-N 2 2 356.897 4.274 20 0 FIADLP C[C@H]([NH2+][C@H]1COc2ccc(Cl)cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495374114 1120759658 /nfs/dbraw/zinc/75/96/58/1120759658.db2.gz MLCZFBUFXOYLGR-KNBMTAEXSA-N 2 2 356.897 4.274 20 0 FIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@H+](C)[C@H](C)C(C)C)c1=S ZINC000915209827 1120874306 /nfs/dbraw/zinc/87/43/06/1120874306.db2.gz UYUVVUZVARJPCN-HZPDHXFCSA-N 2 2 355.596 4.161 20 0 FIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@@H+](C)[C@H](C)C(C)C)c1=S ZINC000915209827 1120874310 /nfs/dbraw/zinc/87/43/10/1120874310.db2.gz UYUVVUZVARJPCN-HZPDHXFCSA-N 2 2 355.596 4.161 20 0 FIADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cc(Br)ncc1F ZINC000762760322 1120960064 /nfs/dbraw/zinc/96/00/64/1120960064.db2.gz LXGVZYFARATNAW-RISCZKNCSA-N 2 2 360.315 4.000 20 0 FIADLP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001168501626 1121119926 /nfs/dbraw/zinc/11/99/26/1121119926.db2.gz TXEKYBKVERYXKM-QGZVFWFLSA-N 2 2 358.476 4.492 20 0 FIADLP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001168501626 1121119929 /nfs/dbraw/zinc/11/99/29/1121119929.db2.gz TXEKYBKVERYXKM-QGZVFWFLSA-N 2 2 358.476 4.492 20 0 FIADLP CC[NH+](CC)Cc1cccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000045721161 1121253496 /nfs/dbraw/zinc/25/34/96/1121253496.db2.gz OGWKPCHITKCZGA-UHFFFAOYSA-N 2 2 362.477 4.026 20 0 FIADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000915879985 1121306923 /nfs/dbraw/zinc/30/69/23/1121306923.db2.gz AHPJLZRSJODVNK-AUSIDOKSSA-N 2 2 352.522 4.443 20 0 FIADLP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000057620969 1121376497 /nfs/dbraw/zinc/37/64/97/1121376497.db2.gz PCZZJSQFXIOAES-NRFANRHFSA-N 2 2 363.461 4.227 20 0 FIADLP COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000057620969 1121376509 /nfs/dbraw/zinc/37/65/09/1121376509.db2.gz PCZZJSQFXIOAES-NRFANRHFSA-N 2 2 363.461 4.227 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)c1ccccc1 ZINC000671716165 1121431099 /nfs/dbraw/zinc/43/10/99/1121431099.db2.gz MWIBCQRGAHRJOP-XJDXJNMNSA-N 2 2 353.416 4.285 20 0 FIADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000916838336 1121880694 /nfs/dbraw/zinc/88/06/94/1121880694.db2.gz XQZVHJLXNHABGA-INIZCTEOSA-N 2 2 360.933 4.046 20 0 FIADLP CC(C)O[C@H]1C[C@@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)C1(C)C ZINC000765803781 1122055521 /nfs/dbraw/zinc/05/55/21/1122055521.db2.gz DEOBWXXJFNGXSV-RTWAWAEBSA-N 2 2 359.558 4.221 20 0 FIADLP C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000155617618 1122077668 /nfs/dbraw/zinc/07/76/68/1122077668.db2.gz UVPCUPVNWLFZQE-HNNXBMFYSA-N 2 2 368.868 4.273 20 0 FIADLP Cc1[nH]c(-c2ccc(NC(=O)c3sccc3C[NH+](C)C)cc2)[nH+]c1C ZINC000921659545 1122117556 /nfs/dbraw/zinc/11/75/56/1122117556.db2.gz DEVHFMSCECTQAG-UHFFFAOYSA-N 2 2 354.479 4.069 20 0 FIADLP COc1ccc([C@@H]2C[C@@H](n3c[nH+]cc3-c3ccc(C[NH3+])cc3)CCO2)cc1 ZINC001168623798 1122180867 /nfs/dbraw/zinc/18/08/67/1122180867.db2.gz KIKJCJNTSWHEOW-UGKGYDQZSA-N 2 2 363.461 4.110 20 0 FIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000497530020 1122273212 /nfs/dbraw/zinc/27/32/12/1122273212.db2.gz PKWIOSUDXAQMLX-JOCHJYFZSA-N 2 2 355.501 4.480 20 0 FIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@H+](CC)C2CCCC2)c1=S ZINC000917465740 1122327488 /nfs/dbraw/zinc/32/74/88/1122327488.db2.gz PQTIQJLZLAYROK-QGZVFWFLSA-N 2 2 367.607 4.449 20 0 FIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@@H+](CC)C2CCCC2)c1=S ZINC000917465740 1122327490 /nfs/dbraw/zinc/32/74/90/1122327490.db2.gz PQTIQJLZLAYROK-QGZVFWFLSA-N 2 2 367.607 4.449 20 0 FIADLP C[C@H](c1ccc(F)cc1)[NH+](C)CC(O)C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000497752180 1122391391 /nfs/dbraw/zinc/39/13/91/1122391391.db2.gz DEWCTHAIWLYSMK-HZPDHXFCSA-N 2 2 362.464 4.012 20 0 FIADLP C[C@H](c1ccc(F)cc1)[NH+](C)CC(O)C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000497752180 1122391397 /nfs/dbraw/zinc/39/13/97/1122391397.db2.gz DEWCTHAIWLYSMK-HZPDHXFCSA-N 2 2 362.464 4.012 20 0 FIADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000129246905 1122559642 /nfs/dbraw/zinc/55/96/42/1122559642.db2.gz DBIQWXQUNCUVLJ-DLBZAZTESA-N 2 2 351.416 4.185 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2sccc2Br)C[C@@H]1c1ccccc1 ZINC000556119105 1122670654 /nfs/dbraw/zinc/67/06/54/1122670654.db2.gz PEGIXCODFXQDOO-GOEBONIOSA-N 2 2 365.340 4.436 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]Cc2sccc2Br)C[C@@H]1c1ccccc1 ZINC000556119105 1122670655 /nfs/dbraw/zinc/67/06/55/1122670655.db2.gz PEGIXCODFXQDOO-GOEBONIOSA-N 2 2 365.340 4.436 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccn(Cc3ccccc3)n2)cc1 ZINC000556608496 1122997399 /nfs/dbraw/zinc/99/73/99/1122997399.db2.gz MDEDLCDZSNDATJ-GOSISDBHSA-N 2 2 371.488 4.276 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCSc3ccccc3F)C2)CC1 ZINC000498834739 1123038184 /nfs/dbraw/zinc/03/81/84/1123038184.db2.gz OCEPOALJNOIDPL-GOSISDBHSA-N 2 2 350.547 4.362 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCSc3ccccc3F)C2)CC1 ZINC000498834739 1123038188 /nfs/dbraw/zinc/03/81/88/1123038188.db2.gz OCEPOALJNOIDPL-GOSISDBHSA-N 2 2 350.547 4.362 20 0 FIADLP c1c2ccccc2oc1[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccnc1 ZINC000498927909 1123086678 /nfs/dbraw/zinc/08/66/78/1123086678.db2.gz HGGUXJGTRLXFKU-JOCHJYFZSA-N 2 2 358.445 4.404 20 0 FIADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000499068002 1123186022 /nfs/dbraw/zinc/18/60/22/1123186022.db2.gz DWKOPWVTDIMXNE-GOSISDBHSA-N 2 2 355.873 4.072 20 0 FIADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000499068002 1123186023 /nfs/dbraw/zinc/18/60/23/1123186023.db2.gz DWKOPWVTDIMXNE-GOSISDBHSA-N 2 2 355.873 4.072 20 0 FIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1OC(F)F ZINC000132172149 1123225728 /nfs/dbraw/zinc/22/57/28/1123225728.db2.gz KTSGZKNCPPQFMO-INIZCTEOSA-N 2 2 371.431 4.426 20 0 FIADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)C)C1 ZINC000920181415 1123398185 /nfs/dbraw/zinc/39/81/85/1123398185.db2.gz XBTNBSCCOOZPTR-KRWDZBQOSA-N 2 2 374.960 4.471 20 0 FIADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)C)C1 ZINC000920181415 1123398188 /nfs/dbraw/zinc/39/81/88/1123398188.db2.gz XBTNBSCCOOZPTR-KRWDZBQOSA-N 2 2 374.960 4.471 20 0 FIADLP Fc1cc(C[NH2+]Cc2ccccc2N2CCCCC2)ccc1-n1cc[nH+]c1 ZINC000920410811 1123453563 /nfs/dbraw/zinc/45/35/63/1123453563.db2.gz FSMNTUTYOAYANF-UHFFFAOYSA-N 2 2 364.468 4.292 20 0 FIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000920486178 1123462488 /nfs/dbraw/zinc/46/24/88/1123462488.db2.gz ZWGKMHGJJPSFCC-DLBZAZTESA-N 2 2 367.607 4.305 20 0 FIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000920486178 1123462492 /nfs/dbraw/zinc/46/24/92/1123462492.db2.gz ZWGKMHGJJPSFCC-DLBZAZTESA-N 2 2 367.607 4.305 20 0 FIADLP Cc1noc(C)c1C[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000237613266 1123644610 /nfs/dbraw/zinc/64/46/10/1123644610.db2.gz AJOKXUBEABQXME-UHFFFAOYSA-N 2 2 363.505 4.474 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245609731 1124139945 /nfs/dbraw/zinc/13/99/45/1124139945.db2.gz NWZZFRKILRLBRS-NYUBLWNDSA-N 2 2 368.525 4.307 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245609731 1124139952 /nfs/dbraw/zinc/13/99/52/1124139952.db2.gz NWZZFRKILRLBRS-NYUBLWNDSA-N 2 2 368.525 4.307 20 0 FIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474469785 1124156980 /nfs/dbraw/zinc/15/69/80/1124156980.db2.gz HUIQBRSHWHEJSR-QQFBHYJXSA-N 2 2 355.448 4.397 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000246279936 1124433924 /nfs/dbraw/zinc/43/39/24/1124433924.db2.gz BLDCIHWZIMDNDX-DYESRHJHSA-N 2 2 357.929 4.168 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000246279936 1124433927 /nfs/dbraw/zinc/43/39/27/1124433927.db2.gz BLDCIHWZIMDNDX-DYESRHJHSA-N 2 2 357.929 4.168 20 0 FIADLP CSC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000542848303 1124449296 /nfs/dbraw/zinc/44/92/96/1124449296.db2.gz XLRQJYKGBZFZGH-MRXNPFEDSA-N 2 2 357.445 4.376 20 0 FIADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246423452 1124500361 /nfs/dbraw/zinc/50/03/61/1124500361.db2.gz CFLDSDVVSVFRJJ-SVMVAKDDSA-N 2 2 369.553 4.086 20 0 FIADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246423452 1124500368 /nfs/dbraw/zinc/50/03/68/1124500368.db2.gz CFLDSDVVSVFRJJ-SVMVAKDDSA-N 2 2 369.553 4.086 20 0 FIADLP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246423452 1124500374 /nfs/dbraw/zinc/50/03/74/1124500374.db2.gz CFLDSDVVSVFRJJ-SVMVAKDDSA-N 2 2 369.553 4.086 20 0 FIADLP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246423452 1124500380 /nfs/dbraw/zinc/50/03/80/1124500380.db2.gz CFLDSDVVSVFRJJ-SVMVAKDDSA-N 2 2 369.553 4.086 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000246975410 1124578013 /nfs/dbraw/zinc/57/80/13/1124578013.db2.gz VPUQLVAIUKLICK-QRFRQXIXSA-N 2 2 366.509 4.055 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000246975410 1124578019 /nfs/dbraw/zinc/57/80/19/1124578019.db2.gz VPUQLVAIUKLICK-QRFRQXIXSA-N 2 2 366.509 4.055 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000246975410 1124578026 /nfs/dbraw/zinc/57/80/26/1124578026.db2.gz VPUQLVAIUKLICK-QRFRQXIXSA-N 2 2 366.509 4.055 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000246975410 1124578033 /nfs/dbraw/zinc/57/80/33/1124578033.db2.gz VPUQLVAIUKLICK-QRFRQXIXSA-N 2 2 366.509 4.055 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000247090889 1124590246 /nfs/dbraw/zinc/59/02/46/1124590246.db2.gz RNMRIJAEMKSTHD-DYESRHJHSA-N 2 2 365.546 4.339 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000247090889 1124590255 /nfs/dbraw/zinc/59/02/55/1124590255.db2.gz RNMRIJAEMKSTHD-DYESRHJHSA-N 2 2 365.546 4.339 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000090392656 1124993069 /nfs/dbraw/zinc/99/30/69/1124993069.db2.gz ZWHXNBRCHINRMI-OFNKIYASSA-N 2 2 363.549 4.295 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000090392656 1124993075 /nfs/dbraw/zinc/99/30/75/1124993075.db2.gz ZWHXNBRCHINRMI-OFNKIYASSA-N 2 2 363.549 4.295 20 0 FIADLP COCCCOc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000090718825 1125015416 /nfs/dbraw/zinc/01/54/16/1125015416.db2.gz PNTMMWFZAMOABU-GOSISDBHSA-N 2 2 365.477 4.138 20 0 FIADLP c1csc(-c2ncc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)s2)c1 ZINC000092066756 1125118321 /nfs/dbraw/zinc/11/83/21/1125118321.db2.gz FDECBGSRWFSZBL-PBHICJAKSA-N 2 2 359.564 4.320 20 0 FIADLP c1csc(-c2ncc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)s2)c1 ZINC000092066756 1125118327 /nfs/dbraw/zinc/11/83/27/1125118327.db2.gz FDECBGSRWFSZBL-PBHICJAKSA-N 2 2 359.564 4.320 20 0 FIADLP c1csc(-c2ncc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)s2)c1 ZINC000092066756 1125118330 /nfs/dbraw/zinc/11/83/30/1125118330.db2.gz FDECBGSRWFSZBL-PBHICJAKSA-N 2 2 359.564 4.320 20 0 FIADLP c1csc(-c2ncc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)s2)c1 ZINC000092066756 1125118332 /nfs/dbraw/zinc/11/83/32/1125118332.db2.gz FDECBGSRWFSZBL-PBHICJAKSA-N 2 2 359.564 4.320 20 0 FIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000113340176 1125155056 /nfs/dbraw/zinc/15/50/56/1125155056.db2.gz PBPMFARYCRTRCD-CYBMUJFWSA-N 2 2 369.456 4.260 20 0 FIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000113340176 1125155060 /nfs/dbraw/zinc/15/50/60/1125155060.db2.gz PBPMFARYCRTRCD-CYBMUJFWSA-N 2 2 369.456 4.260 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1nccn1-c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000672553121 1125168400 /nfs/dbraw/zinc/16/84/00/1125168400.db2.gz VFWKPGAIHAJUOR-RZUBCFFCSA-N 2 2 374.532 4.434 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1nccn1-c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000672553121 1125168404 /nfs/dbraw/zinc/16/84/04/1125168404.db2.gz VFWKPGAIHAJUOR-RZUBCFFCSA-N 2 2 374.532 4.434 20 0 FIADLP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602564763 567995491 /nfs/dbraw/zinc/99/54/91/567995491.db2.gz OJAQVGHIWCHJAY-QJMKCXJCSA-N 2 2 374.594 4.024 20 0 FIADLP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602564763 567995492 /nfs/dbraw/zinc/99/54/92/567995492.db2.gz OJAQVGHIWCHJAY-QJMKCXJCSA-N 2 2 374.594 4.024 20 0 FIADLP c1cn(Cc2ccccc2C[NH2+]Cc2nc(-c3ccccc3)cs2)c[nH+]1 ZINC000067667232 568080435 /nfs/dbraw/zinc/08/04/35/568080435.db2.gz UYJBIRSXALCGAO-UHFFFAOYSA-N 2 2 360.486 4.345 20 0 FIADLP Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000604313261 568248768 /nfs/dbraw/zinc/24/87/68/568248768.db2.gz PFERWKNNQBZNCQ-FUHWJXTLSA-N 2 2 367.493 4.033 20 0 FIADLP Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000604313261 568248769 /nfs/dbraw/zinc/24/87/69/568248769.db2.gz PFERWKNNQBZNCQ-FUHWJXTLSA-N 2 2 367.493 4.033 20 0 FIADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000604773124 568363698 /nfs/dbraw/zinc/36/36/98/568363698.db2.gz AIADOQNXPIDBPY-LRDDRELGSA-N 2 2 374.356 4.276 20 0 FIADLP Brc1ccc(/C=C\CC[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000604998193 568508539 /nfs/dbraw/zinc/50/85/39/568508539.db2.gz JEQCETUHXKFQMR-OHRYZPMFSA-N 2 2 363.343 4.413 20 0 FIADLP Brc1ccc(/C=C\CC[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000604998193 568508540 /nfs/dbraw/zinc/50/85/40/568508540.db2.gz JEQCETUHXKFQMR-OHRYZPMFSA-N 2 2 363.343 4.413 20 0 FIADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]ccc4ccccc43)C[C@@H]21 ZINC001165027648 721803179 /nfs/dbraw/zinc/80/31/79/721803179.db2.gz WWQQMKRULDMENN-AJSBUHFISA-N 2 2 372.516 4.367 20 0 FIADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]ccc4ccccc43)C[C@@H]21 ZINC001165027648 721803180 /nfs/dbraw/zinc/80/31/80/721803180.db2.gz WWQQMKRULDMENN-AJSBUHFISA-N 2 2 372.516 4.367 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3nc2N2CCCCC2)CC[N@@H+]1C ZINC000093644975 1125472118 /nfs/dbraw/zinc/47/21/18/1125472118.db2.gz RWBWRHPIOWXYCN-NQIIRXRSSA-N 2 2 366.553 4.140 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3nc2N2CCCCC2)CC[N@H+]1C ZINC000093644975 1125472121 /nfs/dbraw/zinc/47/21/21/1125472121.db2.gz RWBWRHPIOWXYCN-NQIIRXRSSA-N 2 2 366.553 4.140 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3ccccc3nc2N2CCCCC2)CC[NH+]1C ZINC000093644975 1125472124 /nfs/dbraw/zinc/47/21/24/1125472124.db2.gz RWBWRHPIOWXYCN-NQIIRXRSSA-N 2 2 366.553 4.140 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3ccccc3nc2N2CCCCC2)CC[NH+]1C ZINC000093644975 1125472128 /nfs/dbraw/zinc/47/21/28/1125472128.db2.gz RWBWRHPIOWXYCN-NQIIRXRSSA-N 2 2 366.553 4.140 20 0 FIADLP Cc1cc2cc([C@@H](C)[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)oc2cc1C ZINC000765972534 1125511323 /nfs/dbraw/zinc/51/13/23/1125511323.db2.gz AIHKBVATPKJHDW-XLIONFOSSA-N 2 2 356.510 4.344 20 0 FIADLP CCC(CC)[N@H+](CCCOCOC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001209028102 1080319605 /nfs/dbraw/zinc/31/96/05/1080319605.db2.gz LTRDCWUAJZGEII-UHFFFAOYSA-N 2 2 362.558 4.152 20 0 FIADLP CCC(CC)[N@@H+](CCCOCOC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001209028102 1080319611 /nfs/dbraw/zinc/31/96/11/1080319611.db2.gz LTRDCWUAJZGEII-UHFFFAOYSA-N 2 2 362.558 4.152 20 0 FIADLP c1cn(C2CCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)CC2)c[nH+]1 ZINC001167126506 1080639244 /nfs/dbraw/zinc/63/92/44/1080639244.db2.gz XNTYZLHDYYEWGF-UHFFFAOYSA-N 2 2 357.461 4.123 20 0 FIADLP Cc1ccc(C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C(C)C)s1 ZINC001167156511 1080754635 /nfs/dbraw/zinc/75/46/35/1080754635.db2.gz BCCQVCCRZIQLMU-UHFFFAOYSA-N 2 2 358.551 4.299 20 0 FIADLP Cc1ccc(C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C(C)C)s1 ZINC001167156511 1080754640 /nfs/dbraw/zinc/75/46/40/1080754640.db2.gz BCCQVCCRZIQLMU-UHFFFAOYSA-N 2 2 358.551 4.299 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Br)o1 ZINC000398165715 1080816694 /nfs/dbraw/zinc/81/66/94/1080816694.db2.gz TUZWWDZQUMCFOE-WMLDXEAASA-N 2 2 363.299 4.042 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Br)o1 ZINC000398165715 1080816699 /nfs/dbraw/zinc/81/66/99/1080816699.db2.gz TUZWWDZQUMCFOE-WMLDXEAASA-N 2 2 363.299 4.042 20 0 FIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC)c(OC)c1 ZINC000510251765 1080903133 /nfs/dbraw/zinc/90/31/33/1080903133.db2.gz IFFZGGQCCMGJJW-LJQANCHMSA-N 2 2 351.450 4.130 20 0 FIADLP Cc1ccc(Oc2ccccc2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655711205 1081129047 /nfs/dbraw/zinc/12/90/47/1081129047.db2.gz GKJFRJYYLLKDER-OAQYLSRUSA-N 2 2 366.505 4.130 20 0 FIADLP CCCOc1ccccc1[C@H](CC(C)C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655719430 1081137827 /nfs/dbraw/zinc/13/78/27/1081137827.db2.gz UAZSFDGCGAHMNV-UNMCSNQZSA-N 2 2 374.569 4.406 20 0 FIADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(O[C@@H](C)CC(C)C)c1 ZINC000655723493 1081141420 /nfs/dbraw/zinc/14/14/20/1081141420.db2.gz OYPXZBVOZDHZGJ-UGKGYDQZSA-N 2 2 374.569 4.151 20 0 FIADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)cc1F ZINC000655752180 1081170207 /nfs/dbraw/zinc/17/02/07/1081170207.db2.gz VJESBFKPVXKBCF-LPHOPBHVSA-N 2 2 354.897 4.019 20 0 FIADLP Clc1cccc([C@@H]2CCC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)c1 ZINC000655775451 1081185267 /nfs/dbraw/zinc/18/52/67/1081185267.db2.gz XXSHCRIGDXFJLI-DUXKGJEZSA-N 2 2 362.945 4.209 20 0 FIADLP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC001648833044 1081272545 /nfs/dbraw/zinc/27/25/45/1081272545.db2.gz YHSMWMFGWWTSDY-INIZCTEOSA-N 2 2 374.960 4.272 20 0 FIADLP C[NH+]1CCC([NH2+][C@@H]2CCN(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000123698027 1081522921 /nfs/dbraw/zinc/52/29/21/1081522921.db2.gz XLICAMGKZQSNEB-MOPGFXCFSA-N 2 2 367.940 4.077 20 0 FIADLP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2nc3ccccc3o2)cc1 ZINC000656402048 1082332377 /nfs/dbraw/zinc/33/23/77/1082332377.db2.gz CVJQQOOFSREAGA-IIZPIQPGSA-N 2 2 373.500 4.170 20 0 FIADLP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2nc3ccccc3o2)cc1 ZINC000656402048 1082332390 /nfs/dbraw/zinc/33/23/90/1082332390.db2.gz CVJQQOOFSREAGA-IIZPIQPGSA-N 2 2 373.500 4.170 20 0 FIADLP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2Cc2nc3ccccc3o2)cc1 ZINC000656402048 1082332398 /nfs/dbraw/zinc/33/23/98/1082332398.db2.gz CVJQQOOFSREAGA-IIZPIQPGSA-N 2 2 373.500 4.170 20 0 FIADLP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2Cc2nc3ccccc3o2)cc1 ZINC000656402048 1082332406 /nfs/dbraw/zinc/33/24/06/1082332406.db2.gz CVJQQOOFSREAGA-IIZPIQPGSA-N 2 2 373.500 4.170 20 0 FIADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000430563348 1082481442 /nfs/dbraw/zinc/48/14/42/1082481442.db2.gz IQTWMMUEPZUZCV-DWLFOUALSA-N 2 2 365.521 4.042 20 0 FIADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000430563348 1082481460 /nfs/dbraw/zinc/48/14/60/1082481460.db2.gz IQTWMMUEPZUZCV-DWLFOUALSA-N 2 2 365.521 4.042 20 0 FIADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000156461635 1083019793 /nfs/dbraw/zinc/01/97/93/1083019793.db2.gz APEZVSAIVCJTLW-GCJKJVERSA-N 2 2 374.488 4.072 20 0 FIADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000156461635 1083019801 /nfs/dbraw/zinc/01/98/01/1083019801.db2.gz APEZVSAIVCJTLW-GCJKJVERSA-N 2 2 374.488 4.072 20 0 FIADLP C[C@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000430747820 1083147223 /nfs/dbraw/zinc/14/72/23/1083147223.db2.gz AIFZKDLQJXEWQI-LBPRGKRZSA-N 2 2 370.390 4.034 20 0 FIADLP C[C@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430934700 1083242227 /nfs/dbraw/zinc/24/22/27/1083242227.db2.gz QNVUBVXTNWMTRS-NVXWUHKLSA-N 2 2 368.912 4.080 20 0 FIADLP C[C@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430934700 1083242229 /nfs/dbraw/zinc/24/22/29/1083242229.db2.gz QNVUBVXTNWMTRS-NVXWUHKLSA-N 2 2 368.912 4.080 20 0 FIADLP C[C@@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430934701 1083242569 /nfs/dbraw/zinc/24/25/69/1083242569.db2.gz QNVUBVXTNWMTRS-RDJZCZTQSA-N 2 2 368.912 4.080 20 0 FIADLP C[C@@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430934701 1083242572 /nfs/dbraw/zinc/24/25/72/1083242572.db2.gz QNVUBVXTNWMTRS-RDJZCZTQSA-N 2 2 368.912 4.080 20 0 FIADLP CCC[N@H+](CC(=O)Nc1c(C(C)C)cccc1C(C)C)C1CC[NH2+]CC1 ZINC000431076946 1083329901 /nfs/dbraw/zinc/32/99/01/1083329901.db2.gz MXHDXYQYSYKRMD-UHFFFAOYSA-N 2 2 359.558 4.336 20 0 FIADLP CCC[N@@H+](CC(=O)Nc1c(C(C)C)cccc1C(C)C)C1CC[NH2+]CC1 ZINC000431076946 1083329905 /nfs/dbraw/zinc/32/99/05/1083329905.db2.gz MXHDXYQYSYKRMD-UHFFFAOYSA-N 2 2 359.558 4.336 20 0 FIADLP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000684557837 1083348703 /nfs/dbraw/zinc/34/87/03/1083348703.db2.gz KNOKWDRIVTWKNW-JRSKDTKFSA-N 2 2 374.397 4.347 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000658292488 1083395931 /nfs/dbraw/zinc/39/59/31/1083395931.db2.gz ZNEAHOCFRRPYFB-KXBFYZLASA-N 2 2 374.525 4.458 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000658292487 1083396226 /nfs/dbraw/zinc/39/62/26/1083396226.db2.gz ZNEAHOCFRRPYFB-HNAYVOBHSA-N 2 2 374.525 4.458 20 0 FIADLP c1ccc(C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCCCC2)cc1 ZINC000658296435 1083399567 /nfs/dbraw/zinc/39/95/67/1083399567.db2.gz ZUMIVKYHGRGTAL-GOTSBHOMSA-N 2 2 356.554 4.021 20 0 FIADLP c1cn(C2CC[NH+](Cc3ccc(-n4cnc5ccccc54)cc3)CC2)c[nH+]1 ZINC000092648701 1083462548 /nfs/dbraw/zinc/46/25/48/1083462548.db2.gz OGLLOXMWCJWPTH-UHFFFAOYSA-N 2 2 357.461 4.059 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c(C)[nH+]1 ZINC000653177588 1084241493 /nfs/dbraw/zinc/24/14/93/1084241493.db2.gz YVIZXJFTPKZMNK-UHFFFAOYSA-N 2 2 358.530 4.127 20 0 FIADLP C[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CCOCC1 ZINC000511045944 1084345325 /nfs/dbraw/zinc/34/53/25/1084345325.db2.gz JMBHNDSHXKNNKD-VEXUSMLFSA-N 2 2 364.533 4.059 20 0 FIADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CCOCC1 ZINC000511045944 1084345345 /nfs/dbraw/zinc/34/53/45/1084345345.db2.gz JMBHNDSHXKNNKD-VEXUSMLFSA-N 2 2 364.533 4.059 20 0 FIADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000582026821 1084488289 /nfs/dbraw/zinc/48/82/89/1084488289.db2.gz XFMKMNDMVNRFOM-UHFFFAOYSA-N 2 2 358.898 4.027 20 0 FIADLP Cc1[nH+]ccn1CC[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000582026821 1084488296 /nfs/dbraw/zinc/48/82/96/1084488296.db2.gz XFMKMNDMVNRFOM-UHFFFAOYSA-N 2 2 358.898 4.027 20 0 FIADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000472138892 1084488572 /nfs/dbraw/zinc/48/85/72/1084488572.db2.gz STSFOYJQYWFZHF-QHCPKHFHSA-N 2 2 364.533 4.303 20 0 FIADLP Cc1ncsc1-c1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000657345728 1084664204 /nfs/dbraw/zinc/66/42/04/1084664204.db2.gz XAODDTPJIWWDMP-UHFFFAOYSA-N 2 2 352.507 4.495 20 0 FIADLP CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CO1 ZINC000657351864 1084690367 /nfs/dbraw/zinc/69/03/67/1084690367.db2.gz HBEMNTOJSGUYJS-FGZHOGPDSA-N 2 2 361.489 4.256 20 0 FIADLP Cc1cc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc(OC(F)(F)F)c1 ZINC001143468251 1084911609 /nfs/dbraw/zinc/91/16/09/1084911609.db2.gz DNTNEHSDUCLJIW-UHFFFAOYSA-N 2 2 374.422 4.292 20 0 FIADLP CC[N@H+](CCC[NH2+]Cc1cnc([C@H]2CCCO2)s1)C1CCCCC1 ZINC000651909996 1085631795 /nfs/dbraw/zinc/63/17/95/1085631795.db2.gz CVEDHSWTGWYDRT-GOSISDBHSA-N 2 2 351.560 4.129 20 0 FIADLP CC[N@@H+](CCC[NH2+]Cc1cnc([C@H]2CCCO2)s1)C1CCCCC1 ZINC000651909996 1085631833 /nfs/dbraw/zinc/63/18/33/1085631833.db2.gz CVEDHSWTGWYDRT-GOSISDBHSA-N 2 2 351.560 4.129 20 0 FIADLP COc1ccc([C@@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccccn2)cc1 ZINC000652147901 1085710138 /nfs/dbraw/zinc/71/01/38/1085710138.db2.gz GIDICYHLZGLMME-JOCHJYFZSA-N 2 2 362.477 4.057 20 0 FIADLP Brc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cs1 ZINC000078887906 1085936580 /nfs/dbraw/zinc/93/65/80/1085936580.db2.gz NWXLWZBQYUYMTF-UHFFFAOYSA-N 2 2 362.296 4.045 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122485366 1086083922 /nfs/dbraw/zinc/08/39/22/1086083922.db2.gz ZIDJQBFWTYZNCS-KRWDZBQOSA-N 2 2 374.488 4.462 20 0 FIADLP Cc1c(F)cccc1NC(=O)CC[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000583079167 1086161304 /nfs/dbraw/zinc/16/13/04/1086161304.db2.gz JWWVOZJHEZHXPB-QGZVFWFLSA-N 2 2 371.500 4.182 20 0 FIADLP Cc1ccc([C@@H](CNc2cc[nH+]c3cc(F)ccc23)[NH+]2CCOCC2)cc1 ZINC000500443686 1086535954 /nfs/dbraw/zinc/53/59/54/1086535954.db2.gz QWQFXLKPMZTRQS-JOCHJYFZSA-N 2 2 365.452 4.168 20 0 FIADLP CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000548792216 1086552653 /nfs/dbraw/zinc/55/26/53/1086552653.db2.gz IFKVJEIYONBLMY-LJQANCHMSA-N 2 2 353.510 4.388 20 0 FIADLP CCCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000548792216 1086552661 /nfs/dbraw/zinc/55/26/61/1086552661.db2.gz IFKVJEIYONBLMY-LJQANCHMSA-N 2 2 353.510 4.388 20 0 FIADLP Fc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c2cccnc2)cc1 ZINC000663465491 1086565146 /nfs/dbraw/zinc/56/51/46/1086565146.db2.gz KFLKCHVGOGTMHG-AVRDEDQJSA-N 2 2 353.485 4.022 20 0 FIADLP Fc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c2cccnc2)cc1 ZINC000663465491 1086565154 /nfs/dbraw/zinc/56/51/54/1086565154.db2.gz KFLKCHVGOGTMHG-AVRDEDQJSA-N 2 2 353.485 4.022 20 0 FIADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CCCO1 ZINC000432361201 1086660357 /nfs/dbraw/zinc/66/03/57/1086660357.db2.gz YPXMKUSDIBVROV-MRXNPFEDSA-N 2 2 362.901 4.191 20 0 FIADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CCCO1 ZINC000432361201 1086660374 /nfs/dbraw/zinc/66/03/74/1086660374.db2.gz YPXMKUSDIBVROV-MRXNPFEDSA-N 2 2 362.901 4.191 20 0 FIADLP COc1cc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1SC ZINC000156257422 1086661831 /nfs/dbraw/zinc/66/18/31/1086661831.db2.gz WVOKNUVXXNEAHQ-HNNXBMFYSA-N 2 2 357.523 4.132 20 0 FIADLP Cc1cc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)sc1Br ZINC000512084585 1086751747 /nfs/dbraw/zinc/75/17/47/1086751747.db2.gz PZEKOSDYUOIQOA-GFCCVEGCSA-N 2 2 368.344 4.245 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000512182473 1086905270 /nfs/dbraw/zinc/90/52/70/1086905270.db2.gz RXYGTDYBMZWPKZ-OAQYLSRUSA-N 2 2 366.553 4.125 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000512182473 1086905277 /nfs/dbraw/zinc/90/52/77/1086905277.db2.gz RXYGTDYBMZWPKZ-OAQYLSRUSA-N 2 2 366.553 4.125 20 0 FIADLP FC(F)(F)c1cccc(OCCCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000467137574 1087057866 /nfs/dbraw/zinc/05/78/66/1087057866.db2.gz MCXVOIQZFSBLEG-UHFFFAOYSA-N 2 2 367.415 4.467 20 0 FIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 ZINC000583974587 1087075533 /nfs/dbraw/zinc/07/55/33/1087075533.db2.gz AYEDJECJJNLNCW-KCZVDYSFSA-N 2 2 354.542 4.119 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1OC(F)F ZINC000151328182 1087088936 /nfs/dbraw/zinc/08/89/36/1087088936.db2.gz MYSMVTUZOWECSS-HNNXBMFYSA-N 2 2 357.404 4.384 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000151685140 1087204436 /nfs/dbraw/zinc/20/44/36/1087204436.db2.gz DRSRFOJNNJXAKP-SJORKVTESA-N 2 2 363.461 4.445 20 0 FIADLP Cc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(OC(F)F)cc1C ZINC000584377804 1087301698 /nfs/dbraw/zinc/30/16/98/1087301698.db2.gz GEQMVHCOAQOJQA-UHFFFAOYSA-N 2 2 371.431 4.439 20 0 FIADLP Cc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000628217877 1087518654 /nfs/dbraw/zinc/51/86/54/1087518654.db2.gz MMDITGBXAZECEV-CRAIPNDOSA-N 2 2 367.415 4.175 20 0 FIADLP Cc1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000628217877 1087518659 /nfs/dbraw/zinc/51/86/59/1087518659.db2.gz MMDITGBXAZECEV-CRAIPNDOSA-N 2 2 367.415 4.175 20 0 FIADLP COCC(C)(C)C[N@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000685451303 1087571568 /nfs/dbraw/zinc/57/15/68/1087571568.db2.gz AOIQEAAWJKOOCK-UHFFFAOYSA-N 2 2 367.896 4.241 20 0 FIADLP COCC(C)(C)C[N@@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000685451303 1087571570 /nfs/dbraw/zinc/57/15/70/1087571570.db2.gz AOIQEAAWJKOOCK-UHFFFAOYSA-N 2 2 367.896 4.241 20 0 FIADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cn(Cc3ccccc3)c3ccccc13)C2 ZINC000685629733 1087649016 /nfs/dbraw/zinc/64/90/16/1087649016.db2.gz SDQZJKXLRZHHKO-LJQANCHMSA-N 2 2 356.473 4.060 20 0 FIADLP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+]Cc3nc4c(s3)CCC4)C2)cc1 ZINC000685632377 1087649368 /nfs/dbraw/zinc/64/93/68/1087649368.db2.gz IVVNRVNBCMLMDY-SFHVURJKSA-N 2 2 355.551 4.024 20 0 FIADLP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]Cc3nc4c(s3)CCC4)C2)cc1 ZINC000685632377 1087649371 /nfs/dbraw/zinc/64/93/71/1087649371.db2.gz IVVNRVNBCMLMDY-SFHVURJKSA-N 2 2 355.551 4.024 20 0 FIADLP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]Cc3nc4c(s3)CCC4)C2)cc1 ZINC000685632376 1087649482 /nfs/dbraw/zinc/64/94/82/1087649482.db2.gz IVVNRVNBCMLMDY-GOSISDBHSA-N 2 2 355.551 4.024 20 0 FIADLP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]Cc3nc4c(s3)CCC4)C2)cc1 ZINC000685632376 1087649485 /nfs/dbraw/zinc/64/94/85/1087649485.db2.gz IVVNRVNBCMLMDY-GOSISDBHSA-N 2 2 355.551 4.024 20 0 FIADLP COC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(Cl)c1 ZINC000685644707 1087655106 /nfs/dbraw/zinc/65/51/06/1087655106.db2.gz VEWJFFQIEUVASP-HXUWFJFHSA-N 2 2 355.869 4.062 20 0 FIADLP Clc1ccccc1C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000685662274 1087668371 /nfs/dbraw/zinc/66/83/71/1087668371.db2.gz FQIDINNPHJAOFY-XLIONFOSSA-N 2 2 351.881 4.494 20 0 FIADLP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000658018839 1087699728 /nfs/dbraw/zinc/69/97/28/1087699728.db2.gz GNJAAPSUIYUIQC-PWSUYJOCSA-N 2 2 357.807 4.160 20 0 FIADLP COc1ccc(F)cc1[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000163359643 1088092054 /nfs/dbraw/zinc/09/20/54/1088092054.db2.gz ZHANNZMENQDGMS-INIZCTEOSA-N 2 2 371.500 4.220 20 0 FIADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414822689 1088293847 /nfs/dbraw/zinc/29/38/47/1088293847.db2.gz FHUAFLPXHPMLFN-FXAWDEMLSA-N 2 2 353.510 4.125 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCc3c1cccc3Br)CCC2 ZINC000513865069 1088459515 /nfs/dbraw/zinc/45/95/15/1088459515.db2.gz BEUBRSFPMSWDSV-GUYCJALGSA-N 2 2 360.299 4.109 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000168419942 1088743208 /nfs/dbraw/zinc/74/32/08/1088743208.db2.gz DNPQMKDUCBQTQU-ZDUSSCGKSA-N 2 2 361.367 4.464 20 0 FIADLP CCc1noc(C2CCC([NH2+]C[C@@H]([NH3+])c3ccc(C(C)C)cc3)CC2)n1 ZINC000414847174 1088762956 /nfs/dbraw/zinc/76/29/56/1088762956.db2.gz OKXIKOYJNNEDQW-CTWPCTMYSA-N 2 2 356.514 4.071 20 0 FIADLP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000892743736 1088988977 /nfs/dbraw/zinc/98/89/77/1088988977.db2.gz YOLAYWKHQVLZIO-UHFFFAOYSA-N 2 2 356.539 4.081 20 0 FIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000415063067 1089113315 /nfs/dbraw/zinc/11/33/15/1089113315.db2.gz GWOFESPPDRGFGX-DNVCBOLYSA-N 2 2 373.928 4.218 20 0 FIADLP CCSc1cccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435439542 1089663572 /nfs/dbraw/zinc/66/35/72/1089663572.db2.gz SYPMMJZOYSTYSS-SFHVURJKSA-N 2 2 373.591 4.399 20 0 FIADLP CCSc1cccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435439542 1089663589 /nfs/dbraw/zinc/66/35/89/1089663589.db2.gz SYPMMJZOYSTYSS-SFHVURJKSA-N 2 2 373.591 4.399 20 0 FIADLP CCCc1nc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435697239 1089882926 /nfs/dbraw/zinc/88/29/26/1089882926.db2.gz XSLHYVVJXCGOED-QGZVFWFLSA-N 2 2 361.580 4.301 20 0 FIADLP CCCc1nc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435697239 1089882952 /nfs/dbraw/zinc/88/29/52/1089882952.db2.gz XSLHYVVJXCGOED-QGZVFWFLSA-N 2 2 361.580 4.301 20 0 FIADLP CCCCOc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182089443 1090040275 /nfs/dbraw/zinc/04/02/75/1090040275.db2.gz UGRDSIPREOEXBC-GOSISDBHSA-N 2 2 371.525 4.062 20 0 FIADLP CCCCOc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182089443 1090040297 /nfs/dbraw/zinc/04/02/97/1090040297.db2.gz UGRDSIPREOEXBC-GOSISDBHSA-N 2 2 371.525 4.062 20 0 FIADLP c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390565130 1091260660 /nfs/dbraw/zinc/26/06/60/1091260660.db2.gz NLWZACIMZCKUGP-QUCCMNQESA-N 2 2 356.535 4.006 20 0 FIADLP c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390565130 1091260668 /nfs/dbraw/zinc/26/06/68/1091260668.db2.gz NLWZACIMZCKUGP-QUCCMNQESA-N 2 2 356.535 4.006 20 0 FIADLP C[C@H]([NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)c1ccnn1C ZINC000390579862 1091282949 /nfs/dbraw/zinc/28/29/49/1091282949.db2.gz HYZTUNLQVPMOOI-FQEVSTJZSA-N 2 2 362.521 4.163 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759860357 1091344605 /nfs/dbraw/zinc/34/46/05/1091344605.db2.gz BULPIZVIKFFLMX-JXXFODFXSA-N 2 2 368.924 4.099 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759860357 1091344614 /nfs/dbraw/zinc/34/46/14/1091344614.db2.gz BULPIZVIKFFLMX-JXXFODFXSA-N 2 2 368.924 4.099 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759860357 1091344623 /nfs/dbraw/zinc/34/46/23/1091344623.db2.gz BULPIZVIKFFLMX-JXXFODFXSA-N 2 2 368.924 4.099 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759860357 1091344630 /nfs/dbraw/zinc/34/46/30/1091344630.db2.gz BULPIZVIKFFLMX-JXXFODFXSA-N 2 2 368.924 4.099 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759860351 1091345275 /nfs/dbraw/zinc/34/52/75/1091345275.db2.gz BULPIZVIKFFLMX-GQIGUUNPSA-N 2 2 368.924 4.099 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759860351 1091345278 /nfs/dbraw/zinc/34/52/78/1091345278.db2.gz BULPIZVIKFFLMX-GQIGUUNPSA-N 2 2 368.924 4.099 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759860351 1091345284 /nfs/dbraw/zinc/34/52/84/1091345284.db2.gz BULPIZVIKFFLMX-GQIGUUNPSA-N 2 2 368.924 4.099 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759860351 1091345294 /nfs/dbraw/zinc/34/52/94/1091345294.db2.gz BULPIZVIKFFLMX-GQIGUUNPSA-N 2 2 368.924 4.099 20 0 FIADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1OC ZINC000390648968 1091359155 /nfs/dbraw/zinc/35/91/55/1091359155.db2.gz MXABGZDZGXWJEL-OAQYLSRUSA-N 2 2 368.521 4.094 20 0 FIADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1OC ZINC000390648968 1091359166 /nfs/dbraw/zinc/35/91/66/1091359166.db2.gz MXABGZDZGXWJEL-OAQYLSRUSA-N 2 2 368.521 4.094 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000500372943 1091379726 /nfs/dbraw/zinc/37/97/26/1091379726.db2.gz QPXJSYLERQYCKD-XQFWAAQXSA-N 2 2 364.537 4.318 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512236292 1091945350 /nfs/dbraw/zinc/94/53/50/1091945350.db2.gz GJJOHFLJARPCAI-WZONZLPQSA-N 2 2 361.489 4.487 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512236292 1091945353 /nfs/dbraw/zinc/94/53/53/1091945353.db2.gz GJJOHFLJARPCAI-WZONZLPQSA-N 2 2 361.489 4.487 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512236292 1091945356 /nfs/dbraw/zinc/94/53/56/1091945356.db2.gz GJJOHFLJARPCAI-WZONZLPQSA-N 2 2 361.489 4.487 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512236292 1091945359 /nfs/dbraw/zinc/94/53/59/1091945359.db2.gz GJJOHFLJARPCAI-WZONZLPQSA-N 2 2 361.489 4.487 20 0 FIADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3c(C)cccc32)C1 ZINC000645218508 1091961212 /nfs/dbraw/zinc/96/12/12/1091961212.db2.gz SXNREWRIELBMBZ-KRWDZBQOSA-N 2 2 366.534 4.266 20 0 FIADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2[nH+]ccc3c(C)cccc32)C1 ZINC000645218508 1091961214 /nfs/dbraw/zinc/96/12/14/1091961214.db2.gz SXNREWRIELBMBZ-KRWDZBQOSA-N 2 2 366.534 4.266 20 0 FIADLP CC(C)Cc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000512389285 1092209636 /nfs/dbraw/zinc/20/96/36/1092209636.db2.gz JGGNQHQOXCIYQO-UHFFFAOYSA-N 2 2 365.565 4.419 20 0 FIADLP CC(C)Cc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000512389285 1092209648 /nfs/dbraw/zinc/20/96/48/1092209648.db2.gz JGGNQHQOXCIYQO-UHFFFAOYSA-N 2 2 365.565 4.419 20 0 FIADLP CCCc1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000428236207 1092305857 /nfs/dbraw/zinc/30/58/57/1092305857.db2.gz GOZYFIWTOFWOEB-PXNSSMCTSA-N 2 2 355.526 4.420 20 0 FIADLP CCCc1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000428236207 1092305868 /nfs/dbraw/zinc/30/58/68/1092305868.db2.gz GOZYFIWTOFWOEB-PXNSSMCTSA-N 2 2 355.526 4.420 20 0 FIADLP CCCc1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000428236207 1092305881 /nfs/dbraw/zinc/30/58/81/1092305881.db2.gz GOZYFIWTOFWOEB-PXNSSMCTSA-N 2 2 355.526 4.420 20 0 FIADLP CCCc1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000428236207 1092305887 /nfs/dbraw/zinc/30/58/87/1092305887.db2.gz GOZYFIWTOFWOEB-PXNSSMCTSA-N 2 2 355.526 4.420 20 0 FIADLP CSc1ccccc1[C@@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000442865032 1092811151 /nfs/dbraw/zinc/81/11/51/1092811151.db2.gz HJLNZLXLVOVGQG-NVXWUHKLSA-N 2 2 356.539 4.117 20 0 FIADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000442876478 1092831999 /nfs/dbraw/zinc/83/19/99/1092831999.db2.gz REUSBCPRVRQILU-VQTJNVASSA-N 2 2 358.574 4.082 20 0 FIADLP Clc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc3c(c2)CCO3)c1 ZINC000521686637 1092866604 /nfs/dbraw/zinc/86/66/04/1092866604.db2.gz BWFYRCVUTLCWKR-UHFFFAOYSA-N 2 2 367.880 4.174 20 0 FIADLP Clc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc3c(c2)CCO3)c1 ZINC000521686637 1092866616 /nfs/dbraw/zinc/86/66/16/1092866616.db2.gz BWFYRCVUTLCWKR-UHFFFAOYSA-N 2 2 367.880 4.174 20 0 FIADLP Nc1cccc2c1cc[nH+]c2NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000663861310 1092947343 /nfs/dbraw/zinc/94/73/43/1092947343.db2.gz WBFIOEMCVBTYDD-UHFFFAOYSA-N 2 2 364.415 4.034 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1OC(F)(F)F ZINC000152746111 1093136997 /nfs/dbraw/zinc/13/69/97/1093136997.db2.gz ZXMCRQIABIZRDS-CYBMUJFWSA-N 2 2 353.388 4.011 20 0 FIADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccccc1Cl ZINC000246363573 1093405336 /nfs/dbraw/zinc/40/53/36/1093405336.db2.gz IQUPOZOXSDZEFA-SQGPQFPESA-N 2 2 373.928 4.003 20 0 FIADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccccc1Cl ZINC000246363573 1093405341 /nfs/dbraw/zinc/40/53/41/1093405341.db2.gz IQUPOZOXSDZEFA-SQGPQFPESA-N 2 2 373.928 4.003 20 0 FIADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Oc1ccccc1Cl ZINC000246363565 1093406077 /nfs/dbraw/zinc/40/60/77/1093406077.db2.gz IQUPOZOXSDZEFA-MBOZVWFJSA-N 2 2 373.928 4.003 20 0 FIADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Oc1ccccc1Cl ZINC000246363565 1093406081 /nfs/dbraw/zinc/40/60/81/1093406081.db2.gz IQUPOZOXSDZEFA-MBOZVWFJSA-N 2 2 373.928 4.003 20 0 FIADLP COc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)c(-c2ccccc2)cc1OC ZINC000513028074 1093675976 /nfs/dbraw/zinc/67/59/76/1093675976.db2.gz UOWKSWDPPDWLAJ-UHFFFAOYSA-N 2 2 368.521 4.333 20 0 FIADLP CC(C)Oc1ccnc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168035253 1093804998 /nfs/dbraw/zinc/80/49/98/1093804998.db2.gz RZHZSNDDDORYRC-OALUTQOASA-N 2 2 367.537 4.400 20 0 FIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000474477261 1093823327 /nfs/dbraw/zinc/82/33/27/1093823327.db2.gz RKXDCDYSINPXEQ-IAGOWNOFSA-N 2 2 365.477 4.171 20 0 FIADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000474477263 1093823844 /nfs/dbraw/zinc/82/38/44/1093823844.db2.gz RKXDCDYSINPXEQ-IRXDYDNUSA-N 2 2 365.477 4.171 20 0 FIADLP C[N@H+](Cc1cnc2ccc(Cl)cn12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513492068 1094161153 /nfs/dbraw/zinc/16/11/53/1094161153.db2.gz XWXRHFGAQPIIRS-UHFFFAOYSA-N 2 2 368.912 4.084 20 0 FIADLP C[N@@H+](Cc1cnc2ccc(Cl)cn12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513492068 1094161156 /nfs/dbraw/zinc/16/11/56/1094161156.db2.gz XWXRHFGAQPIIRS-UHFFFAOYSA-N 2 2 368.912 4.084 20 0 FIADLP C[C@@H](CCc1cccc(F)c1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434014928 1094239116 /nfs/dbraw/zinc/23/91/16/1094239116.db2.gz YLWIUOXJFZIAOW-XJABCFGWSA-N 2 2 355.501 4.167 20 0 FIADLP C[C@@H](CCc1cccc(F)c1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434014928 1094239119 /nfs/dbraw/zinc/23/91/19/1094239119.db2.gz YLWIUOXJFZIAOW-XJABCFGWSA-N 2 2 355.501 4.167 20 0 FIADLP C[C@@H](CCc1cccc(F)c1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434014928 1094239125 /nfs/dbraw/zinc/23/91/25/1094239125.db2.gz YLWIUOXJFZIAOW-XJABCFGWSA-N 2 2 355.501 4.167 20 0 FIADLP C[C@@H](CCc1cccc(F)c1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434014928 1094239129 /nfs/dbraw/zinc/23/91/29/1094239129.db2.gz YLWIUOXJFZIAOW-XJABCFGWSA-N 2 2 355.501 4.167 20 0 FIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000474617439 1094443111 /nfs/dbraw/zinc/44/31/11/1094443111.db2.gz APUQXUDOEMOCIC-SJORKVTESA-N 2 2 365.477 4.171 20 0 FIADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C3CCC(C4CCC4)CC3)C2)cc1 ZINC000710202766 1094466780 /nfs/dbraw/zinc/46/67/80/1094466780.db2.gz KPEXEXPUNMEBAI-XPPIMPSXSA-N 2 2 356.554 4.226 20 0 FIADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C3CCC(C4CCC4)CC3)C2)cc1 ZINC000710202766 1094466786 /nfs/dbraw/zinc/46/67/86/1094466786.db2.gz KPEXEXPUNMEBAI-XPPIMPSXSA-N 2 2 356.554 4.226 20 0 FIADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168039914 1094480584 /nfs/dbraw/zinc/48/05/84/1094480584.db2.gz IRQKWXRKYSKLLI-DKQPQCJKSA-N 3 2 357.586 4.136 20 0 FIADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168039914 1094480588 /nfs/dbraw/zinc/48/05/88/1094480588.db2.gz IRQKWXRKYSKLLI-DKQPQCJKSA-N 3 2 357.586 4.136 20 0 FIADLP CC(C)[NH+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168039914 1094480595 /nfs/dbraw/zinc/48/05/95/1094480595.db2.gz IRQKWXRKYSKLLI-DKQPQCJKSA-N 3 2 357.586 4.136 20 0 FIADLP CC(C)[NH+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168039914 1094480601 /nfs/dbraw/zinc/48/06/01/1094480601.db2.gz IRQKWXRKYSKLLI-DKQPQCJKSA-N 3 2 357.586 4.136 20 0 FIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)[nH+]1 ZINC000501454190 1094721491 /nfs/dbraw/zinc/72/14/91/1094721491.db2.gz URXJNSNXQIWRPP-UNMCSNQZSA-N 2 2 360.505 4.185 20 0 FIADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001307478363 1095087988 /nfs/dbraw/zinc/08/79/88/1095087988.db2.gz IUQRIBQNUFHXOR-MRXNPFEDSA-N 2 2 351.332 4.065 20 0 FIADLP Cc1c(Br)cccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001307478363 1095088004 /nfs/dbraw/zinc/08/80/04/1095088004.db2.gz IUQRIBQNUFHXOR-MRXNPFEDSA-N 2 2 351.332 4.065 20 0 FIADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000443856873 1095131423 /nfs/dbraw/zinc/13/14/23/1095131423.db2.gz NVYVLWCDJKNPCF-OAHLLOKOSA-N 2 2 351.416 4.202 20 0 FIADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000443856873 1095131429 /nfs/dbraw/zinc/13/14/29/1095131429.db2.gz NVYVLWCDJKNPCF-OAHLLOKOSA-N 2 2 351.416 4.202 20 0 FIADLP CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000420904171 1095152528 /nfs/dbraw/zinc/15/25/28/1095152528.db2.gz BSLGOSPBNHQWCQ-QGZVFWFLSA-N 2 2 373.566 4.039 20 0 FIADLP CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000420904171 1095152532 /nfs/dbraw/zinc/15/25/32/1095152532.db2.gz BSLGOSPBNHQWCQ-QGZVFWFLSA-N 2 2 373.566 4.039 20 0 FIADLP C[C@H]1C[C@]1([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000420946607 1095188477 /nfs/dbraw/zinc/18/84/77/1095188477.db2.gz BCIWIYHZVPGXSH-HTAPYJJXSA-N 2 2 370.924 4.197 20 0 FIADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000502292473 1095314514 /nfs/dbraw/zinc/31/45/14/1095314514.db2.gz WTJBNZHSDUYDNJ-TZIWHRDSSA-N 2 2 364.537 4.280 20 0 FIADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000502305344 1095332323 /nfs/dbraw/zinc/33/23/23/1095332323.db2.gz BLQKZYFKCPXHKR-NJELEJDNSA-N 2 2 357.448 4.390 20 0 FIADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000502305344 1095332337 /nfs/dbraw/zinc/33/23/37/1095332337.db2.gz BLQKZYFKCPXHKR-NJELEJDNSA-N 2 2 357.448 4.390 20 0 FIADLP CC(C)CCn1cccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502336010 1095373453 /nfs/dbraw/zinc/37/34/53/1095373453.db2.gz VGXNWKLVXXRCOR-LJQANCHMSA-N 2 2 354.542 4.447 20 0 FIADLP CC(C)CCn1cccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502336010 1095373466 /nfs/dbraw/zinc/37/34/66/1095373466.db2.gz VGXNWKLVXXRCOR-LJQANCHMSA-N 2 2 354.542 4.447 20 0 FIADLP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502345085 1095383081 /nfs/dbraw/zinc/38/30/81/1095383081.db2.gz XKSMYFKYRCCQLK-MJGOQNOKSA-N 2 2 353.510 4.211 20 0 FIADLP COc1ccc([C@H](C)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502345085 1095383095 /nfs/dbraw/zinc/38/30/95/1095383095.db2.gz XKSMYFKYRCCQLK-MJGOQNOKSA-N 2 2 353.510 4.211 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(C(F)(F)F)s2)CC[N@@H+]1Cc1ccccc1 ZINC000444000551 1095598012 /nfs/dbraw/zinc/59/80/12/1095598012.db2.gz HCSGAJWPBKPYJC-ZFWWWQNUSA-N 2 2 369.456 4.305 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(C(F)(F)F)s2)CC[N@H+]1Cc1ccccc1 ZINC000444000551 1095598024 /nfs/dbraw/zinc/59/80/24/1095598024.db2.gz HCSGAJWPBKPYJC-ZFWWWQNUSA-N 2 2 369.456 4.305 20 0 FIADLP CC(C)O[C@@H](C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000647911714 1095657487 /nfs/dbraw/zinc/65/74/87/1095657487.db2.gz HJZWZXDWBPZDSH-XXBNENTESA-N 2 2 367.537 4.363 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cnn(C2CCCC2)c1 ZINC000502695806 1095718580 /nfs/dbraw/zinc/71/85/80/1095718580.db2.gz ALIKARZTHSYJLU-GOSISDBHSA-N 2 2 352.526 4.313 20 0 FIADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281952747 1095776709 /nfs/dbraw/zinc/77/67/09/1095776709.db2.gz FRFGAJNLIKLSGC-HZPDHXFCSA-N 2 2 356.514 4.446 20 0 FIADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281952747 1095776723 /nfs/dbraw/zinc/77/67/23/1095776723.db2.gz FRFGAJNLIKLSGC-HZPDHXFCSA-N 2 2 356.514 4.446 20 0 FIADLP COc1cccc(OC)c1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000713801031 1095782686 /nfs/dbraw/zinc/78/26/86/1095782686.db2.gz DRJSAKXZIZKIAO-WSTZPKSXSA-N 2 2 368.521 4.408 20 0 FIADLP COc1cccc(OC)c1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000713801031 1095782732 /nfs/dbraw/zinc/78/27/32/1095782732.db2.gz DRJSAKXZIZKIAO-WSTZPKSXSA-N 2 2 368.521 4.408 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccncc1Cl ZINC000421818873 1095952141 /nfs/dbraw/zinc/95/21/41/1095952141.db2.gz CXOZRMOZFBMPFL-IXDOHACOSA-N 2 2 373.928 4.195 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccncc1Cl ZINC000421818873 1095952145 /nfs/dbraw/zinc/95/21/45/1095952145.db2.gz CXOZRMOZFBMPFL-IXDOHACOSA-N 2 2 373.928 4.195 20 0 FIADLP Brc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2ncccc12 ZINC000272323265 1096174213 /nfs/dbraw/zinc/17/42/13/1096174213.db2.gz UUXSTHDHRUUJAT-UHFFFAOYSA-N 2 2 371.282 4.100 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000272649893 1096198303 /nfs/dbraw/zinc/19/83/03/1096198303.db2.gz DTHQXIIFGANLSO-IEBWSBKVSA-N 2 2 370.459 4.161 20 0 FIADLP COc1ccccc1CCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503416540 1096391736 /nfs/dbraw/zinc/39/17/36/1096391736.db2.gz RASCROLILNEZOD-IBGZPJMESA-N 2 2 353.510 4.040 20 0 FIADLP COc1ccccc1CCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503416540 1096391743 /nfs/dbraw/zinc/39/17/43/1096391743.db2.gz RASCROLILNEZOD-IBGZPJMESA-N 2 2 353.510 4.040 20 0 FIADLP CSc1ccc(OCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503433913 1096398585 /nfs/dbraw/zinc/39/85/85/1096398585.db2.gz JKSITEHFVBZHDM-KRWDZBQOSA-N 2 2 371.550 4.200 20 0 FIADLP CSc1ccc(OCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503433913 1096398591 /nfs/dbraw/zinc/39/85/91/1096398591.db2.gz JKSITEHFVBZHDM-KRWDZBQOSA-N 2 2 371.550 4.200 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)n2c1CCCC2 ZINC000503439261 1096401820 /nfs/dbraw/zinc/40/18/20/1096401820.db2.gz QZCPWKZLRLVHRO-OAHLLOKOSA-N 2 2 352.507 4.209 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)n2c1CCCC2 ZINC000503439261 1096401825 /nfs/dbraw/zinc/40/18/25/1096401825.db2.gz QZCPWKZLRLVHRO-OAHLLOKOSA-N 2 2 352.507 4.209 20 0 FIADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000422710859 1096460042 /nfs/dbraw/zinc/46/00/42/1096460042.db2.gz GGPSXIGDVIRGDC-XUZZJYLKSA-N 3 2 374.532 4.206 20 0 FIADLP Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cnn1-c1ccc(F)cc1 ZINC000422784735 1096490370 /nfs/dbraw/zinc/49/03/70/1096490370.db2.gz OICXYPVBOJXITP-JDORSLCVSA-N 2 2 350.441 4.115 20 0 FIADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000422804674 1096494852 /nfs/dbraw/zinc/49/48/52/1096494852.db2.gz IDIHNZJSXUGMIP-BLLLJJGKSA-N 2 2 369.456 4.307 20 0 FIADLP COc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)ccc1OCCC(C)C ZINC000422874204 1096517053 /nfs/dbraw/zinc/51/70/53/1096517053.db2.gz CGHOCCFIFXWWLT-UXHICEINSA-N 2 2 354.494 4.355 20 0 FIADLP COc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)ccc1OC1CCCC1 ZINC000422947760 1096537103 /nfs/dbraw/zinc/53/71/03/1096537103.db2.gz YUYAVIIHKDOSGT-UXHICEINSA-N 2 2 352.478 4.251 20 0 FIADLP c1cc(-c2ccccc2)oc1C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000414716400 1096567710 /nfs/dbraw/zinc/56/77/10/1096567710.db2.gz ONLYXWUXOHYANW-OAQYLSRUSA-N 2 2 361.489 4.486 20 0 FIADLP c1cc(-c2ccccc2)oc1C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000414716400 1096567713 /nfs/dbraw/zinc/56/77/13/1096567713.db2.gz ONLYXWUXOHYANW-OAQYLSRUSA-N 2 2 361.489 4.486 20 0 FIADLP COc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2Cl)cc1OC ZINC000423211283 1096608581 /nfs/dbraw/zinc/60/85/81/1096608581.db2.gz KTXAPAPQASAZHL-BTYIYWSLSA-N 2 2 374.912 4.036 20 0 FIADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2)c2ccccc21 ZINC000423194090 1096613480 /nfs/dbraw/zinc/61/34/80/1096613480.db2.gz WJIDYDRLQSEKID-JKSUJKDBSA-N 2 2 351.675 4.337 20 0 FIADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])c3ccccc3)s2)cc1 ZINC000423231000 1096624431 /nfs/dbraw/zinc/62/44/31/1096624431.db2.gz AJCLNMUZJGQLPP-LIRRHRJNSA-N 2 2 367.518 4.478 20 0 FIADLP [NH3+][C@H](C[NH2+][C@H](c1ccc(Br)s1)C1CC1)c1ccccc1 ZINC000423250066 1096629807 /nfs/dbraw/zinc/62/98/07/1096629807.db2.gz ULUQYLASQRBONJ-CJNGLKHVSA-N 2 2 351.313 4.251 20 0 FIADLP [NH3+][C@@H](C[NH2+][C@H](c1ccc(Br)s1)C1CC1)c1ccccc1 ZINC000423250065 1096629938 /nfs/dbraw/zinc/62/99/38/1096629938.db2.gz ULUQYLASQRBONJ-BBRMVZONSA-N 2 2 351.313 4.251 20 0 FIADLP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423360027 1096656378 /nfs/dbraw/zinc/65/63/78/1096656378.db2.gz FEUVFVWVWFHAKY-FFSVYQOJSA-N 2 2 350.375 4.121 20 0 FIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000423505151 1096700988 /nfs/dbraw/zinc/70/09/88/1096700988.db2.gz NWHDBNVJLKPFNX-XLIONFOSSA-N 2 2 353.466 4.083 20 0 FIADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](OCCCc4ccccc4)C3)cc2)c[nH+]1 ZINC000533347452 1098970185 /nfs/dbraw/zinc/97/01/85/1098970185.db2.gz HJMBZVBBHPKEKW-QHCPKHFHSA-N 2 2 361.489 4.096 20 0 FIADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](OCCCc4ccccc4)C3)cc2)c[nH+]1 ZINC000533347452 1098970187 /nfs/dbraw/zinc/97/01/87/1098970187.db2.gz HJMBZVBBHPKEKW-QHCPKHFHSA-N 2 2 361.489 4.096 20 0 FIADLP CC[N@H+](CCCCCOC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395329 1099023830 /nfs/dbraw/zinc/02/38/30/1099023830.db2.gz PUCXRKXQTUTNAN-UHFFFAOYSA-N 2 2 362.562 4.016 20 0 FIADLP CC[N@@H+](CCCCCOC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395329 1099023842 /nfs/dbraw/zinc/02/38/42/1099023842.db2.gz PUCXRKXQTUTNAN-UHFFFAOYSA-N 2 2 362.562 4.016 20 0 FIADLP OCCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCc2ccccc21 ZINC000533475585 1099087169 /nfs/dbraw/zinc/08/71/69/1099087169.db2.gz XZDFWECYCFWPCV-QHCPKHFHSA-N 2 2 361.489 4.134 20 0 FIADLP OCCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCc2ccccc21 ZINC000533475585 1099087184 /nfs/dbraw/zinc/08/71/84/1099087184.db2.gz XZDFWECYCFWPCV-QHCPKHFHSA-N 2 2 361.489 4.134 20 0 FIADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)c2C1 ZINC000158350494 1099294433 /nfs/dbraw/zinc/29/44/33/1099294433.db2.gz HLLSXYPEBPWNFI-UHFFFAOYSA-N 2 2 360.461 4.096 20 0 FIADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)c2C1 ZINC000158350494 1099294439 /nfs/dbraw/zinc/29/44/39/1099294439.db2.gz HLLSXYPEBPWNFI-UHFFFAOYSA-N 2 2 360.461 4.096 20 0 FIADLP C[NH+]1CCC([NH2+][C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1 ZINC000437030200 1099542668 /nfs/dbraw/zinc/54/26/68/1099542668.db2.gz JMMCZPRSTCJUEX-CQSZACIVSA-N 2 2 354.338 4.383 20 0 FIADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000261951935 1099680861 /nfs/dbraw/zinc/68/08/61/1099680861.db2.gz GBVGENAPZRIBPR-YWZLYKJASA-N 2 2 371.912 4.294 20 0 FIADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000261951935 1099680878 /nfs/dbraw/zinc/68/08/78/1099680878.db2.gz GBVGENAPZRIBPR-YWZLYKJASA-N 2 2 371.912 4.294 20 0 FIADLP CCn1ccnc1C[N@H+](Cc1ccc(C)c(Cl)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262038240 1099688612 /nfs/dbraw/zinc/68/86/12/1099688612.db2.gz XYMUDXLUXMPSSC-LJQANCHMSA-N 2 2 372.944 4.009 20 0 FIADLP CCn1ccnc1C[N@@H+](Cc1ccc(C)c(Cl)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262038240 1099688623 /nfs/dbraw/zinc/68/86/23/1099688623.db2.gz XYMUDXLUXMPSSC-LJQANCHMSA-N 2 2 372.944 4.009 20 0 FIADLP CSCc1cnc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000516666229 1099696225 /nfs/dbraw/zinc/69/62/25/1099696225.db2.gz MBKNNAAWTABQSB-CYBMUJFWSA-N 2 2 358.536 4.351 20 0 FIADLP CC[N@H+](Cc1occc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000536672839 1100158871 /nfs/dbraw/zinc/15/88/71/1100158871.db2.gz SOMTZOKGHHMJLF-UHFFFAOYSA-N 2 2 356.514 4.301 20 0 FIADLP CC[N@@H+](Cc1occc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000536672839 1100158875 /nfs/dbraw/zinc/15/88/75/1100158875.db2.gz SOMTZOKGHHMJLF-UHFFFAOYSA-N 2 2 356.514 4.301 20 0 FIADLP COc1ccc(OC)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000536674492 1100161799 /nfs/dbraw/zinc/16/17/99/1100161799.db2.gz RDUBGELCQUUJPN-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(OC)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000536674492 1100161806 /nfs/dbraw/zinc/16/18/06/1100161806.db2.gz RDUBGELCQUUJPN-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(OC)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000536674492 1100161817 /nfs/dbraw/zinc/16/18/17/1100161817.db2.gz RDUBGELCQUUJPN-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(OC)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000536674492 1100161827 /nfs/dbraw/zinc/16/18/27/1100161827.db2.gz RDUBGELCQUUJPN-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)CC2=Cc3ccccc3OC2)CC[N@@H+]1Cc1ccccc1 ZINC000536675522 1100163782 /nfs/dbraw/zinc/16/37/82/1100163782.db2.gz TWHPZIBNAHMIRK-XXBNENTESA-N 2 2 362.517 4.447 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)CC2=Cc3ccccc3OC2)CC[N@H+]1Cc1ccccc1 ZINC000536675522 1100163793 /nfs/dbraw/zinc/16/37/93/1100163793.db2.gz TWHPZIBNAHMIRK-XXBNENTESA-N 2 2 362.517 4.447 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)CC2=Cc3ccccc3OC2)CC[NH+]1Cc1ccccc1 ZINC000536675522 1100163801 /nfs/dbraw/zinc/16/38/01/1100163801.db2.gz TWHPZIBNAHMIRK-XXBNENTESA-N 2 2 362.517 4.447 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)CC2=Cc3ccccc3OC2)CC[NH+]1Cc1ccccc1 ZINC000536675522 1100163809 /nfs/dbraw/zinc/16/38/09/1100163809.db2.gz TWHPZIBNAHMIRK-XXBNENTESA-N 2 2 362.517 4.447 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]CCCCOc2ccccc2)CC1 ZINC000437783745 1100175900 /nfs/dbraw/zinc/17/59/00/1100175900.db2.gz ATIQVVIBGWEXCV-LJQANCHMSA-N 2 2 353.510 4.056 20 0 FIADLP COc1ccc(C[N@H+](CCc2c[nH+]cn2C)[C@H]2CCCC[C@H]2C)cc1OC ZINC000459461516 1100204596 /nfs/dbraw/zinc/20/45/96/1100204596.db2.gz GDRYNQNAAPZFFJ-XLIONFOSSA-N 2 2 371.525 4.061 20 0 FIADLP COc1ccc(C[N@@H+](CCc2c[nH+]cn2C)[C@H]2CCCC[C@H]2C)cc1OC ZINC000459461516 1100204607 /nfs/dbraw/zinc/20/46/07/1100204607.db2.gz GDRYNQNAAPZFFJ-XLIONFOSSA-N 2 2 371.525 4.061 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379644357 1100252938 /nfs/dbraw/zinc/25/29/38/1100252938.db2.gz CCUOOMOEUDJWLK-HYBUGGRVSA-N 2 2 374.532 4.074 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000379644357 1100252946 /nfs/dbraw/zinc/25/29/46/1100252946.db2.gz CCUOOMOEUDJWLK-HYBUGGRVSA-N 2 2 374.532 4.074 20 0 FIADLP CC[C@H](C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000425924215 1100266377 /nfs/dbraw/zinc/26/63/77/1100266377.db2.gz SXAKGTYOVSDQJS-RTWAWAEBSA-N 2 2 357.929 4.483 20 0 FIADLP CC[C@H](C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000425924214 1100266761 /nfs/dbraw/zinc/26/67/61/1100266761.db2.gz SXAKGTYOVSDQJS-NHCUHLMSSA-N 2 2 357.929 4.483 20 0 FIADLP C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000459562223 1100300928 /nfs/dbraw/zinc/30/09/28/1100300928.db2.gz NQFSOOFLOMFTFQ-FDIFFNORSA-N 2 2 359.473 4.149 20 0 FIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cnn(C(C)C)c2)c(C)c1 ZINC000536841496 1100353781 /nfs/dbraw/zinc/35/37/81/1100353781.db2.gz XSABBJOECUVUPB-RXVVDRJESA-N 2 2 351.498 4.369 20 0 FIADLP CC1([NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CC[NH2+]CC1 ZINC000414930347 1100669289 /nfs/dbraw/zinc/66/92/89/1100669289.db2.gz ANVUQINRWFRQOC-UHFFFAOYSA-N 2 2 356.322 4.349 20 0 FIADLP COc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1O ZINC000426173282 1100942456 /nfs/dbraw/zinc/94/24/56/1100942456.db2.gz SJIFILXKBGRKNY-MSOLQXFVSA-N 2 2 370.537 4.441 20 0 FIADLP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414975398 1101087106 /nfs/dbraw/zinc/08/71/06/1101087106.db2.gz GIRDZPLMSISYRI-CQSZACIVSA-N 2 2 366.292 4.073 20 0 FIADLP C[C@@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]([NH3+])c1ccccc1 ZINC000178719052 1101532801 /nfs/dbraw/zinc/53/28/01/1101532801.db2.gz ZNWRPSIYXLWGQH-IERDGZPVSA-N 2 2 374.488 4.161 20 0 FIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000537203395 1101557459 /nfs/dbraw/zinc/55/74/59/1101557459.db2.gz ZTXDACVAZIXEOF-GOSISDBHSA-N 2 2 361.961 4.104 20 0 FIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000537203395 1101557469 /nfs/dbraw/zinc/55/74/69/1101557469.db2.gz ZTXDACVAZIXEOF-GOSISDBHSA-N 2 2 361.961 4.104 20 0 FIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000537203395 1101557480 /nfs/dbraw/zinc/55/74/80/1101557480.db2.gz ZTXDACVAZIXEOF-GOSISDBHSA-N 2 2 361.961 4.104 20 0 FIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000537203395 1101557488 /nfs/dbraw/zinc/55/74/88/1101557488.db2.gz ZTXDACVAZIXEOF-GOSISDBHSA-N 2 2 361.961 4.104 20 0 FIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CC(C)(C)c4ccccc43)[nH+]c2)C1 ZINC000537455486 1101820808 /nfs/dbraw/zinc/82/08/08/1101820808.db2.gz DHYOSSOHEGRZRJ-PXNSSMCTSA-N 2 2 350.510 4.056 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1 ZINC000648462558 1102013195 /nfs/dbraw/zinc/01/31/95/1102013195.db2.gz JUHQJYVZEMRZSF-IAGOWNOFSA-N 2 2 371.406 4.398 20 0 FIADLP Cc1cccc(CC[C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000537486092 1102166275 /nfs/dbraw/zinc/16/62/75/1102166275.db2.gz DJJMHGXUXMFZOJ-LJQANCHMSA-N 2 2 366.553 4.354 20 0 FIADLP C[NH+]1CCC([NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)CC1 ZINC000187708899 1102302269 /nfs/dbraw/zinc/30/22/69/1102302269.db2.gz KADSBNHWJKCFSO-INIZCTEOSA-N 2 2 357.723 4.237 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1Cl ZINC000532448254 1102341204 /nfs/dbraw/zinc/34/12/04/1102341204.db2.gz SRQJJWUVXBDFEC-OAHLLOKOSA-N 2 2 355.869 4.444 20 0 FIADLP Fc1ccc(Oc2ccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cn2)cc1 ZINC000048741827 1102418036 /nfs/dbraw/zinc/41/80/36/1102418036.db2.gz SEXWIGPVQNTNRP-UHFFFAOYSA-N 2 2 374.419 4.489 20 0 FIADLP CC[NH+](CC)[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000111043034 1102443509 /nfs/dbraw/zinc/44/35/09/1102443509.db2.gz UFOIJHNNNLXFLN-FQEVSTJZSA-N 2 2 366.440 4.033 20 0 FIADLP Cn1ccnc1[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccccc1Cl ZINC000550887007 1102660293 /nfs/dbraw/zinc/66/02/93/1102660293.db2.gz VIRBOMIMDMKIJL-IBGZPJMESA-N 2 2 360.933 4.019 20 0 FIADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)s2)cc1 ZINC000537650430 1102691441 /nfs/dbraw/zinc/69/14/41/1102691441.db2.gz DKVQFYZKXGBJGU-SFHVURJKSA-N 2 2 355.551 4.426 20 0 FIADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)s2)cc1 ZINC000537650430 1102691448 /nfs/dbraw/zinc/69/14/48/1102691448.db2.gz DKVQFYZKXGBJGU-SFHVURJKSA-N 2 2 355.551 4.426 20 0 FIADLP COc1ccccc1C[C@@H](C)[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000459316384 1102796146 /nfs/dbraw/zinc/79/61/46/1102796146.db2.gz AAXNOUWANPVFCF-LJQANCHMSA-N 2 2 363.505 4.105 20 0 FIADLP COc1ccccc1C[C@@H](C)[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000459316384 1102796155 /nfs/dbraw/zinc/79/61/55/1102796155.db2.gz AAXNOUWANPVFCF-LJQANCHMSA-N 2 2 363.505 4.105 20 0 FIADLP CCCOc1c(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cccc1OCC ZINC000608067505 1102858038 /nfs/dbraw/zinc/85/80/38/1102858038.db2.gz HXUHYPSXRPWHIG-SFHVURJKSA-N 2 2 357.498 4.046 20 0 FIADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000459350373 1102891317 /nfs/dbraw/zinc/89/13/17/1102891317.db2.gz BZYJKQCFUXQQJR-UHFFFAOYSA-N 2 2 363.490 4.057 20 0 FIADLP CCCCCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(C)n1 ZINC000551084301 1102902725 /nfs/dbraw/zinc/90/27/25/1102902725.db2.gz WCAUBPULAMSAOZ-YADHBBJMSA-N 2 2 354.542 4.307 20 0 FIADLP CCCCCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(C)n1 ZINC000551084301 1102902730 /nfs/dbraw/zinc/90/27/30/1102902730.db2.gz WCAUBPULAMSAOZ-YADHBBJMSA-N 2 2 354.542 4.307 20 0 FIADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1Br)C(C)(C)C ZINC000459371125 1102940186 /nfs/dbraw/zinc/94/01/86/1102940186.db2.gz RKPGDRDGRPEVRL-UHFFFAOYSA-N 2 2 350.304 4.026 20 0 FIADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1Br)C(C)(C)C ZINC000459371125 1102940192 /nfs/dbraw/zinc/94/01/92/1102940192.db2.gz RKPGDRDGRPEVRL-UHFFFAOYSA-N 2 2 350.304 4.026 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C[C@H]1c1ccccc1 ZINC000551169975 1102945422 /nfs/dbraw/zinc/94/54/22/1102945422.db2.gz NXFZFSXXMGQOOF-PMACEKPBSA-N 2 2 356.897 4.200 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C[C@H]1c1ccccc1 ZINC000551169975 1102945425 /nfs/dbraw/zinc/94/54/25/1102945425.db2.gz NXFZFSXXMGQOOF-PMACEKPBSA-N 2 2 356.897 4.200 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C[C@H]1c1ccccc1 ZINC000551196992 1102974908 /nfs/dbraw/zinc/97/49/08/1102974908.db2.gz LTEIXYGHSAFDOZ-XXBNENTESA-N 2 2 367.512 4.351 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C[C@H]1c1ccccc1 ZINC000551196992 1102974911 /nfs/dbraw/zinc/97/49/11/1102974911.db2.gz LTEIXYGHSAFDOZ-XXBNENTESA-N 2 2 367.512 4.351 20 0 FIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cnc(C(C)(C)C)nc2)c(C)c1 ZINC000551553959 1103353276 /nfs/dbraw/zinc/35/32/76/1103353276.db2.gz BOBLHPCKPRQLLU-FQEVSTJZSA-N 2 2 363.509 4.119 20 0 FIADLP C[C@]1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCCc2ccccc21 ZINC000507508328 1103449874 /nfs/dbraw/zinc/44/98/74/1103449874.db2.gz JLRMTAYCIXSDGD-LJQANCHMSA-N 2 2 354.460 4.287 20 0 FIADLP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1Cl ZINC000551818487 1103677813 /nfs/dbraw/zinc/67/78/13/1103677813.db2.gz UXZRDAIBBGSKFM-JXFKEZNVSA-N 2 2 373.928 4.134 20 0 FIADLP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1Cl ZINC000551818487 1103677815 /nfs/dbraw/zinc/67/78/15/1103677815.db2.gz UXZRDAIBBGSKFM-JXFKEZNVSA-N 2 2 373.928 4.134 20 0 FIADLP Clc1ccc(Cl)c(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000441444338 1104731010 /nfs/dbraw/zinc/73/10/10/1104731010.db2.gz GSIZIVNXPOWXSE-HNNXBMFYSA-N 2 2 357.325 4.180 20 0 FIADLP Clc1ccc(Cl)c(OCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000441444338 1104731017 /nfs/dbraw/zinc/73/10/17/1104731017.db2.gz GSIZIVNXPOWXSE-HNNXBMFYSA-N 2 2 357.325 4.180 20 0 FIADLP COCCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000237208172 1105064463 /nfs/dbraw/zinc/06/44/63/1105064463.db2.gz RVDBWOYOSMSBSU-UHFFFAOYSA-N 2 2 362.901 4.191 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280836852 1105083125 /nfs/dbraw/zinc/08/31/25/1105083125.db2.gz LOYFISWCHZEZOK-VGOFRKELSA-N 2 2 350.510 4.133 20 0 FIADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc3ccccc3c2)[nH+]1 ZINC001168007109 1105126641 /nfs/dbraw/zinc/12/66/41/1105126641.db2.gz ACNPWTXWLGWCRI-NRFANRHFSA-N 2 2 374.488 4.058 20 0 FIADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)Nc2ccc3ccccc3c2)[nH+]1 ZINC001168007109 1105126644 /nfs/dbraw/zinc/12/66/44/1105126644.db2.gz ACNPWTXWLGWCRI-NRFANRHFSA-N 2 2 374.488 4.058 20 0 FIADLP COc1cccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1OC ZINC001168007382 1105132018 /nfs/dbraw/zinc/13/20/18/1105132018.db2.gz RUFQYIYILNSQFL-ROUUACIJSA-N 2 2 368.521 4.235 20 0 FIADLP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427857201 1105296849 /nfs/dbraw/zinc/29/68/49/1105296849.db2.gz PUAVWWVRVOQQDG-GXTWGEPZSA-N 2 2 356.470 4.120 20 0 FIADLP Clc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000427874410 1105299239 /nfs/dbraw/zinc/29/92/39/1105299239.db2.gz HEYBZETYAJGTAV-GRDNDAEWSA-N 2 2 350.293 4.431 20 0 FIADLP Fc1cccc(C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccc(F)c2)c1 ZINC000427870479 1105305584 /nfs/dbraw/zinc/30/55/84/1105305584.db2.gz VCORVAZFWUBJQF-UXHICEINSA-N 2 2 353.416 4.050 20 0 FIADLP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CCn4cc[nH+]c4C2)CCC3)cc1 ZINC000427899696 1105307982 /nfs/dbraw/zinc/30/79/82/1105307982.db2.gz XBRWIWSXOFZRPB-IAGOWNOFSA-N 2 2 364.518 4.297 20 0 FIADLP Fc1ccccc1C1CC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000475347923 1106741003 /nfs/dbraw/zinc/74/10/03/1106741003.db2.gz BXIPLLNPPXDOSY-UHFFFAOYSA-N 2 2 370.434 4.467 20 0 FIADLP Fc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1Cl ZINC000475346950 1106747394 /nfs/dbraw/zinc/74/73/94/1106747394.db2.gz PSSIBHPXGIKNLK-UHFFFAOYSA-N 2 2 364.814 4.374 20 0 FIADLP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655711517 1106847914 /nfs/dbraw/zinc/84/79/14/1106847914.db2.gz KTSNPGSCLLGDKO-WMZOPIPTSA-N 2 2 371.352 4.157 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H]2c2cnccn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065254 1106903474 /nfs/dbraw/zinc/90/34/74/1106903474.db2.gz VFHJIHIGCNZTAS-BAYUQKDNSA-N 2 2 350.510 4.055 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H]2c2cnccn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065254 1106903476 /nfs/dbraw/zinc/90/34/76/1106903476.db2.gz VFHJIHIGCNZTAS-BAYUQKDNSA-N 2 2 350.510 4.055 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2cnccn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065254 1106903477 /nfs/dbraw/zinc/90/34/77/1106903477.db2.gz VFHJIHIGCNZTAS-BAYUQKDNSA-N 2 2 350.510 4.055 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2cnccn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065254 1106903481 /nfs/dbraw/zinc/90/34/81/1106903481.db2.gz VFHJIHIGCNZTAS-BAYUQKDNSA-N 2 2 350.510 4.055 20 0 FIADLP Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530218975 1106918464 /nfs/dbraw/zinc/91/84/64/1106918464.db2.gz KJAMAUVCCOGANB-WBVHZDCISA-N 2 2 357.498 4.201 20 0 FIADLP Brc1cccc2c(N3CCC[C@@H]([NH+]4CCCC4)C3)cc[nH+]c12 ZINC000301235219 1106968829 /nfs/dbraw/zinc/96/88/29/1106968829.db2.gz HFTLCDWZUJQXKC-CQSZACIVSA-N 2 2 360.299 4.062 20 0 FIADLP C[C@@H](c1cccnc1)[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301303066 1106986355 /nfs/dbraw/zinc/98/63/55/1106986355.db2.gz SFOFURXCEFPAOB-HNNXBMFYSA-N 2 2 352.869 4.166 20 0 FIADLP C[C@H](c1cccnc1)[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301303067 1106987122 /nfs/dbraw/zinc/98/71/22/1106987122.db2.gz SFOFURXCEFPAOB-OAHLLOKOSA-N 2 2 352.869 4.166 20 0 FIADLP Brc1cccc2c(N3CCC[C@@H]([NH+]4CCCC4)CC3)cc[nH+]c12 ZINC000301390782 1107014616 /nfs/dbraw/zinc/01/46/16/1107014616.db2.gz ZHUUFHMQLIRPFY-OAHLLOKOSA-N 2 2 374.326 4.452 20 0 FIADLP Cc1nc(NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c(C)[nH+]1 ZINC000301876455 1107194914 /nfs/dbraw/zinc/19/49/14/1107194914.db2.gz KKTWXAZWZVDRRX-CRAIPNDOSA-N 2 2 362.880 4.299 20 0 FIADLP Cc1nc(NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c(C)[nH+]1 ZINC000301876455 1107194925 /nfs/dbraw/zinc/19/49/25/1107194925.db2.gz KKTWXAZWZVDRRX-CRAIPNDOSA-N 2 2 362.880 4.299 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3c2OCO3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168068365 1107567249 /nfs/dbraw/zinc/56/72/49/1107567249.db2.gz XZJCLVFZNSURTR-RMFSNUHRSA-N 2 2 366.505 4.289 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3c2OCO3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168068365 1107567264 /nfs/dbraw/zinc/56/72/64/1107567264.db2.gz XZJCLVFZNSURTR-RMFSNUHRSA-N 2 2 366.505 4.289 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3c2OCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168068365 1107567279 /nfs/dbraw/zinc/56/72/79/1107567279.db2.gz XZJCLVFZNSURTR-RMFSNUHRSA-N 2 2 366.505 4.289 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2OCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168068365 1107567291 /nfs/dbraw/zinc/56/72/91/1107567291.db2.gz XZJCLVFZNSURTR-RMFSNUHRSA-N 2 2 366.505 4.289 20 0 FIADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000453239021 1108314400 /nfs/dbraw/zinc/31/44/00/1108314400.db2.gz RDMYOXQAEUOPCS-CQSZACIVSA-N 2 2 369.852 4.148 20 0 FIADLP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453319017 1108410260 /nfs/dbraw/zinc/41/02/60/1108410260.db2.gz CJGRHKMIYZFKRB-HCLVMJGWSA-N 2 2 371.569 4.414 20 0 FIADLP CCCc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)o1 ZINC000453384786 1108468936 /nfs/dbraw/zinc/46/89/36/1108468936.db2.gz NBHZFUROZVOLDR-NJYVYQBISA-N 2 2 353.510 4.160 20 0 FIADLP CCCc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)o1 ZINC000453384786 1108468945 /nfs/dbraw/zinc/46/89/45/1108468945.db2.gz NBHZFUROZVOLDR-NJYVYQBISA-N 2 2 353.510 4.160 20 0 FIADLP Cc1nc2ccc(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)cc2s1 ZINC000447059654 1109426693 /nfs/dbraw/zinc/42/66/93/1109426693.db2.gz MEYQZIQVWFZVQP-UHFFFAOYSA-N 2 2 353.491 4.352 20 0 FIADLP CCOc1cc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)ccc1OCC(C)C ZINC000525696098 1109481393 /nfs/dbraw/zinc/48/13/93/1109481393.db2.gz NZZXUFHGBREMKU-IBGZPJMESA-N 2 2 371.525 4.292 20 0 FIADLP Fc1ccc(C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc2)cc1 ZINC000447538344 1109571773 /nfs/dbraw/zinc/57/17/73/1109571773.db2.gz BFRAKIROOSJORY-JOCHJYFZSA-N 2 2 363.480 4.475 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccnc4ccccc34)C2)CC1 ZINC000525997922 1109578832 /nfs/dbraw/zinc/57/88/32/1109578832.db2.gz WTXUJTUKTNTDBH-UHFFFAOYSA-N 2 2 363.427 4.130 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000447849476 1109658834 /nfs/dbraw/zinc/65/88/34/1109658834.db2.gz IAPGSUIAOQCWRK-WIYYLYMNSA-N 2 2 360.505 4.077 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000447849476 1109658835 /nfs/dbraw/zinc/65/88/35/1109658835.db2.gz IAPGSUIAOQCWRK-WIYYLYMNSA-N 2 2 360.505 4.077 20 0 FIADLP CC(C)(C)c1cnc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000447933708 1109682169 /nfs/dbraw/zinc/68/21/69/1109682169.db2.gz XSOYCLNYOTXKIC-SFHVURJKSA-N 2 2 357.567 4.095 20 0 FIADLP CC(C)(C)c1cnc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000447933708 1109682171 /nfs/dbraw/zinc/68/21/71/1109682171.db2.gz XSOYCLNYOTXKIC-SFHVURJKSA-N 2 2 357.567 4.095 20 0 FIADLP Cc1oc(-c2ccsc2)nc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544420610 1109744687 /nfs/dbraw/zinc/74/46/87/1109744687.db2.gz JQHKOPJRPZAIHR-ZBFHGGJFSA-N 2 2 359.539 4.454 20 0 FIADLP Cc1oc(-c2ccsc2)nc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544420610 1109744691 /nfs/dbraw/zinc/74/46/91/1109744691.db2.gz JQHKOPJRPZAIHR-ZBFHGGJFSA-N 2 2 359.539 4.454 20 0 FIADLP CC(C)Oc1cc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000527716261 1109815563 /nfs/dbraw/zinc/81/55/63/1109815563.db2.gz NOAUCDVMFVIMLT-GOOCMWNKSA-N 2 2 357.325 4.495 20 0 FIADLP CC(C)Oc1cc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000527716261 1109815568 /nfs/dbraw/zinc/81/55/68/1109815568.db2.gz NOAUCDVMFVIMLT-GOOCMWNKSA-N 2 2 357.325 4.495 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(CCc3ccccc3)s2)[C@H](C)C1 ZINC000449028946 1109959524 /nfs/dbraw/zinc/95/95/24/1109959524.db2.gz NHULIUGHTDNGAC-XLIONFOSSA-N 2 2 357.567 4.090 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(CCc3ccccc3)s2)[C@H](C)C1 ZINC000449028946 1109959525 /nfs/dbraw/zinc/95/95/25/1109959525.db2.gz NHULIUGHTDNGAC-XLIONFOSSA-N 2 2 357.567 4.090 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(CCc3ccccc3)s2)[C@H](C)C1 ZINC000449028946 1109959528 /nfs/dbraw/zinc/95/95/28/1109959528.db2.gz NHULIUGHTDNGAC-XLIONFOSSA-N 2 2 357.567 4.090 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(CCc3ccccc3)s2)[C@H](C)C1 ZINC000449028946 1109959529 /nfs/dbraw/zinc/95/95/29/1109959529.db2.gz NHULIUGHTDNGAC-XLIONFOSSA-N 2 2 357.567 4.090 20 0 FIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449035371 1109961170 /nfs/dbraw/zinc/96/11/70/1109961170.db2.gz GUJWZMUCRWHROL-IBGZPJMESA-N 2 2 357.567 4.092 20 0 FIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449035371 1109961174 /nfs/dbraw/zinc/96/11/74/1109961174.db2.gz GUJWZMUCRWHROL-IBGZPJMESA-N 2 2 357.567 4.092 20 0 FIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449035371 1109961176 /nfs/dbraw/zinc/96/11/76/1109961176.db2.gz GUJWZMUCRWHROL-IBGZPJMESA-N 2 2 357.567 4.092 20 0 FIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449035371 1109961181 /nfs/dbraw/zinc/96/11/81/1109961181.db2.gz GUJWZMUCRWHROL-IBGZPJMESA-N 2 2 357.567 4.092 20 0 FIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449037812 1109962325 /nfs/dbraw/zinc/96/23/25/1109962325.db2.gz PFYQDMVLNUBGRV-FQEVSTJZSA-N 2 2 369.578 4.092 20 0 FIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449037812 1109962326 /nfs/dbraw/zinc/96/23/26/1109962326.db2.gz PFYQDMVLNUBGRV-FQEVSTJZSA-N 2 2 369.578 4.092 20 0 FIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449037812 1109962327 /nfs/dbraw/zinc/96/23/27/1109962327.db2.gz PFYQDMVLNUBGRV-FQEVSTJZSA-N 2 2 369.578 4.092 20 0 FIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449037812 1109962329 /nfs/dbraw/zinc/96/23/29/1109962329.db2.gz PFYQDMVLNUBGRV-FQEVSTJZSA-N 2 2 369.578 4.092 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC[N@@H+]1C ZINC000449025241 1109964463 /nfs/dbraw/zinc/96/44/63/1109964463.db2.gz AWRKGINOTAPCKW-STQMWFEESA-N 2 2 351.466 4.003 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC[N@H+]1C ZINC000449025241 1109964465 /nfs/dbraw/zinc/96/44/65/1109964465.db2.gz AWRKGINOTAPCKW-STQMWFEESA-N 2 2 351.466 4.003 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC[NH+]1C ZINC000449025241 1109964466 /nfs/dbraw/zinc/96/44/66/1109964466.db2.gz AWRKGINOTAPCKW-STQMWFEESA-N 2 2 351.466 4.003 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC[NH+]1C ZINC000449025241 1109964469 /nfs/dbraw/zinc/96/44/69/1109964469.db2.gz AWRKGINOTAPCKW-STQMWFEESA-N 2 2 351.466 4.003 20 0 FIADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000449073855 1109973582 /nfs/dbraw/zinc/97/35/82/1109973582.db2.gz AKMHELRXCMTBPI-UHFFFAOYSA-N 3 2 372.601 4.319 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[C@@H](C)O1 ZINC000449128616 1109981722 /nfs/dbraw/zinc/98/17/22/1109981722.db2.gz STVKQYIRYHQWRE-PMAPCBKXSA-N 2 2 361.489 4.254 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnn2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000449180299 1109992883 /nfs/dbraw/zinc/99/28/83/1109992883.db2.gz ZOZFEDQLOTWIPA-ICSRJNTNSA-N 2 2 352.526 4.141 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnn2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000449180299 1109992884 /nfs/dbraw/zinc/99/28/84/1109992884.db2.gz ZOZFEDQLOTWIPA-ICSRJNTNSA-N 2 2 352.526 4.141 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000449180300 1109992926 /nfs/dbraw/zinc/99/29/26/1109992926.db2.gz ZOZFEDQLOTWIPA-QUCCMNQESA-N 2 2 352.526 4.141 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000449180300 1109992927 /nfs/dbraw/zinc/99/29/27/1109992927.db2.gz ZOZFEDQLOTWIPA-QUCCMNQESA-N 2 2 352.526 4.141 20 0 FIADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc3ccoc32)C1 ZINC000449263192 1110017906 /nfs/dbraw/zinc/01/79/06/1110017906.db2.gz HKDZCFVOTZCZLN-INIZCTEOSA-N 2 2 355.507 4.152 20 0 FIADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3ccoc32)C1 ZINC000449263192 1110017908 /nfs/dbraw/zinc/01/79/08/1110017908.db2.gz HKDZCFVOTZCZLN-INIZCTEOSA-N 2 2 355.507 4.152 20 0 FIADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3ccoc32)C1 ZINC000449263192 1110017911 /nfs/dbraw/zinc/01/79/11/1110017911.db2.gz HKDZCFVOTZCZLN-INIZCTEOSA-N 2 2 355.507 4.152 20 0 FIADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC000449263192 1110017913 /nfs/dbraw/zinc/01/79/13/1110017913.db2.gz HKDZCFVOTZCZLN-INIZCTEOSA-N 2 2 355.507 4.152 20 0 FIADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(-c4c(F)cccc4F)s3)C2)C1 ZINC000449342619 1110033853 /nfs/dbraw/zinc/03/38/53/1110033853.db2.gz CSRHSKFGFVYEGC-LJQANCHMSA-N 2 2 363.477 4.006 20 0 FIADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(-c4c(F)cccc4F)s3)C2)C1 ZINC000449342619 1110033857 /nfs/dbraw/zinc/03/38/57/1110033857.db2.gz CSRHSKFGFVYEGC-LJQANCHMSA-N 2 2 363.477 4.006 20 0 FIADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnc(-c4c(F)cccc4F)s3)C2)C1 ZINC000449342619 1110033859 /nfs/dbraw/zinc/03/38/59/1110033859.db2.gz CSRHSKFGFVYEGC-LJQANCHMSA-N 2 2 363.477 4.006 20 0 FIADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnc(-c4c(F)cccc4F)s3)C2)C1 ZINC000449342619 1110033863 /nfs/dbraw/zinc/03/38/63/1110033863.db2.gz CSRHSKFGFVYEGC-LJQANCHMSA-N 2 2 363.477 4.006 20 0 FIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000449352878 1110047102 /nfs/dbraw/zinc/04/71/02/1110047102.db2.gz YVULCHNUFMFEIC-JTDSTZFVSA-N 2 2 359.901 4.211 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000449520944 1110097998 /nfs/dbraw/zinc/09/79/98/1110097998.db2.gz GBMQKKFRPLGJCG-XLIONFOSSA-N 2 2 357.542 4.025 20 0 FIADLP CCCC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449520444 1110098229 /nfs/dbraw/zinc/09/82/29/1110098229.db2.gz DRRCAFWOZCNAJK-ROUUACIJSA-N 2 2 359.558 4.414 20 0 FIADLP CC[C@H](C[C@@H](C)CC)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449524481 1110098585 /nfs/dbraw/zinc/09/85/85/1110098585.db2.gz OEHVEFRCKVCYCC-FXAWDEMLSA-N 2 2 359.558 4.414 20 0 FIADLP Fc1cc2[nH+]ccc(NC3CC[NH+](Cc4ccccn4)CC3)c2cc1Cl ZINC000450258687 1110270079 /nfs/dbraw/zinc/27/00/79/1110270079.db2.gz BIGZKVQVLGCMMT-UHFFFAOYSA-N 2 2 370.859 4.499 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC/C=C\c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000450793573 1110342410 /nfs/dbraw/zinc/34/24/10/1110342410.db2.gz QGVUIPHEQXIIOU-APIOXEBXSA-N 2 2 366.553 4.228 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC/C=C\c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000450793573 1110342412 /nfs/dbraw/zinc/34/24/12/1110342412.db2.gz QGVUIPHEQXIIOU-APIOXEBXSA-N 2 2 366.553 4.228 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC/C=C\c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000450793573 1110342414 /nfs/dbraw/zinc/34/24/14/1110342414.db2.gz QGVUIPHEQXIIOU-APIOXEBXSA-N 2 2 366.553 4.228 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC/C=C\c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000450793573 1110342415 /nfs/dbraw/zinc/34/24/15/1110342415.db2.gz QGVUIPHEQXIIOU-APIOXEBXSA-N 2 2 366.553 4.228 20 0 FIADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C12CCC2 ZINC000538409465 1111130335 /nfs/dbraw/zinc/13/03/35/1111130335.db2.gz QHYRKUPMNNJCJN-PCCBWWKXSA-N 2 2 353.510 4.179 20 0 FIADLP Cc1nc(C(C)C)sc1[C@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000538559223 1111193473 /nfs/dbraw/zinc/19/34/73/1111193473.db2.gz VCZNEDOJLMOAIY-WMLDXEAASA-N 2 2 373.570 4.283 20 0 FIADLP C[C@@H](CCc1ccccc1F)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538590126 1111211609 /nfs/dbraw/zinc/21/16/09/1111211609.db2.gz GXQXIQCLBAYPQO-KRWDZBQOSA-N 2 2 370.516 4.184 20 0 FIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000538723674 1111262714 /nfs/dbraw/zinc/26/27/14/1111262714.db2.gz SCADOXQVQRUGGM-AWEZNQCLSA-N 2 2 369.336 4.433 20 0 FIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000538723674 1111262716 /nfs/dbraw/zinc/26/27/16/1111262716.db2.gz SCADOXQVQRUGGM-AWEZNQCLSA-N 2 2 369.336 4.433 20 0 FIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000538723674 1111262719 /nfs/dbraw/zinc/26/27/19/1111262719.db2.gz SCADOXQVQRUGGM-AWEZNQCLSA-N 2 2 369.336 4.433 20 0 FIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000538723674 1111262722 /nfs/dbraw/zinc/26/27/22/1111262722.db2.gz SCADOXQVQRUGGM-AWEZNQCLSA-N 2 2 369.336 4.433 20 0 FIADLP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000538797865 1111295849 /nfs/dbraw/zinc/29/58/49/1111295849.db2.gz BWHXQIQPBFVCOY-UZLBHIALSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000538797865 1111295854 /nfs/dbraw/zinc/29/58/54/1111295854.db2.gz BWHXQIQPBFVCOY-UZLBHIALSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1cccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000538797865 1111295859 /nfs/dbraw/zinc/29/58/59/1111295859.db2.gz BWHXQIQPBFVCOY-UZLBHIALSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1cccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000538797865 1111295863 /nfs/dbraw/zinc/29/58/63/1111295863.db2.gz BWHXQIQPBFVCOY-UZLBHIALSA-N 2 2 370.928 4.179 20 0 FIADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000538799917 1111297361 /nfs/dbraw/zinc/29/73/61/1111297361.db2.gz FASNWHJRZXILEJ-CJNGLKHVSA-N 2 2 369.372 4.087 20 0 FIADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000538799917 1111297363 /nfs/dbraw/zinc/29/73/63/1111297363.db2.gz FASNWHJRZXILEJ-CJNGLKHVSA-N 2 2 369.372 4.087 20 0 FIADLP CSc1cc(Br)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000538799917 1111297368 /nfs/dbraw/zinc/29/73/68/1111297368.db2.gz FASNWHJRZXILEJ-CJNGLKHVSA-N 2 2 369.372 4.087 20 0 FIADLP CSc1cc(Br)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000538799917 1111297371 /nfs/dbraw/zinc/29/73/71/1111297371.db2.gz FASNWHJRZXILEJ-CJNGLKHVSA-N 2 2 369.372 4.087 20 0 FIADLP c1cn(-c2cccc(C[NH2+][C@H]3CCCc4nn(-c5ccccc5)cc43)c2)c[nH+]1 ZINC000479054364 1111937874 /nfs/dbraw/zinc/93/78/74/1111937874.db2.gz GHSJBWGPBJNAKX-QFIPXVFZSA-N 2 2 369.472 4.225 20 0 FIADLP COc1cc2c(cc1F)[nH+]ccc2N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000479299776 1111989271 /nfs/dbraw/zinc/98/92/71/1111989271.db2.gz DXDGZYCBHRNUHD-UHFFFAOYSA-N 2 2 367.424 4.134 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cn1 ZINC000479368142 1112001870 /nfs/dbraw/zinc/00/18/70/1112001870.db2.gz YEKUWRGMSZIQCO-UONOGXRCSA-N 2 2 371.282 4.442 20 0 FIADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000479474032 1112037466 /nfs/dbraw/zinc/03/74/66/1112037466.db2.gz CAFTXVJAQBRJGQ-TUNNFDKTSA-N 2 2 356.554 4.468 20 0 FIADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479475942 1112037603 /nfs/dbraw/zinc/03/76/03/1112037603.db2.gz OVUUBLYYCAHOCV-WAEOZQSESA-N 2 2 370.434 4.454 20 0 FIADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479475939 1112037796 /nfs/dbraw/zinc/03/77/96/1112037796.db2.gz OVUUBLYYCAHOCV-NOJVBZFYSA-N 2 2 370.434 4.454 20 0 FIADLP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479473754 1112044075 /nfs/dbraw/zinc/04/40/75/1112044075.db2.gz YLTGEVVIYJYURD-OOHWJJMZSA-N 2 2 370.459 4.460 20 0 FIADLP C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000554076734 1112193059 /nfs/dbraw/zinc/19/30/59/1112193059.db2.gz ISAYFUHWGLHIIC-FOIQADDNSA-N 2 2 355.869 4.300 20 0 FIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000480080458 1112265193 /nfs/dbraw/zinc/26/51/93/1112265193.db2.gz GPTDFCOFGILLEM-HIFRSBDPSA-N 2 2 355.345 4.060 20 0 FIADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000480080458 1112265194 /nfs/dbraw/zinc/26/51/94/1112265194.db2.gz GPTDFCOFGILLEM-HIFRSBDPSA-N 2 2 355.345 4.060 20 0 FIADLP COc1cc2c(cc1F)[nH+]ccc2N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000480122028 1112291991 /nfs/dbraw/zinc/29/19/91/1112291991.db2.gz SXSWQWPRHIBHGR-UHFFFAOYSA-N 2 2 368.456 4.276 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000554374845 1112325483 /nfs/dbraw/zinc/32/54/83/1112325483.db2.gz BIPKZHYSQLDHPQ-KSFYIVLOSA-N 2 2 366.484 4.273 20 0 FIADLP Cc1csc(C2([NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)CCC2)n1 ZINC000480193486 1112328744 /nfs/dbraw/zinc/32/87/44/1112328744.db2.gz RWTOQTQSPCTNCW-MJGOQNOKSA-N 2 2 355.551 4.331 20 0 FIADLP Cc1csc(C2([NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CCC2)n1 ZINC000480193486 1112328750 /nfs/dbraw/zinc/32/87/50/1112328750.db2.gz RWTOQTQSPCTNCW-MJGOQNOKSA-N 2 2 355.551 4.331 20 0 FIADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1nccn1-c1ccccc1 ZINC000480392164 1112411581 /nfs/dbraw/zinc/41/15/81/1112411581.db2.gz CZLMVGWPQBGIEN-WOJBJXKFSA-N 2 2 374.532 4.119 20 0 FIADLP c1ccc(Cn2c(C[NH2+]C3CC[NH+](CC4CC4)CC3)nc3ccccc32)cc1 ZINC001168362943 1112427686 /nfs/dbraw/zinc/42/76/86/1112427686.db2.gz NKRQSOMBTLVBKV-UHFFFAOYSA-N 2 2 374.532 4.049 20 0 FIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000480529117 1112470496 /nfs/dbraw/zinc/47/04/96/1112470496.db2.gz SQUZKZFYQKUHCL-IBGZPJMESA-N 2 2 371.488 4.010 20 0 FIADLP c1cn(-c2ccccc2)c(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n1 ZINC000480645273 1112519714 /nfs/dbraw/zinc/51/97/14/1112519714.db2.gz PHVHMUPRUGMSHY-UHFFFAOYSA-N 2 2 360.505 4.148 20 0 FIADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000480665510 1112544133 /nfs/dbraw/zinc/54/41/33/1112544133.db2.gz XVIVOPKMOXPATM-HXUWFJFHSA-N 2 2 374.532 4.394 20 0 FIADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000480665510 1112544136 /nfs/dbraw/zinc/54/41/36/1112544136.db2.gz XVIVOPKMOXPATM-HXUWFJFHSA-N 2 2 374.532 4.394 20 0 FIADLP Cc1[nH]c2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2c1C ZINC000481413135 1112929864 /nfs/dbraw/zinc/92/98/64/1112929864.db2.gz ALOYDWABGYGLKO-KSFYIVLOSA-N 2 2 362.521 4.180 20 0 FIADLP Cc1[nH]c2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2c1C ZINC000481413135 1112929866 /nfs/dbraw/zinc/92/98/66/1112929866.db2.gz ALOYDWABGYGLKO-KSFYIVLOSA-N 2 2 362.521 4.180 20 0 FIADLP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481542643 1112973646 /nfs/dbraw/zinc/97/36/46/1112973646.db2.gz JUMGCACKNHTOBU-CABCVRRESA-N 2 2 357.404 4.269 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000482075797 1113172085 /nfs/dbraw/zinc/17/20/85/1113172085.db2.gz KPFZKSMSWVPPIC-KCESLBEFSA-N 2 2 367.512 4.357 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000482075797 1113172086 /nfs/dbraw/zinc/17/20/86/1113172086.db2.gz KPFZKSMSWVPPIC-KCESLBEFSA-N 2 2 367.512 4.357 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC000482244161 1113208615 /nfs/dbraw/zinc/20/86/15/1113208615.db2.gz MPPNSLAOGCDKPM-UHFFFAOYSA-N 2 2 373.368 4.405 20 0 FIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccccc1 ZINC000482455524 1113265773 /nfs/dbraw/zinc/26/57/73/1113265773.db2.gz GHIPPQQEPJJDQO-FGZHOGPDSA-N 2 2 356.485 4.112 20 0 FIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccccc1 ZINC000482455524 1113265777 /nfs/dbraw/zinc/26/57/77/1113265777.db2.gz GHIPPQQEPJJDQO-FGZHOGPDSA-N 2 2 356.485 4.112 20 0 FIADLP COc1cc(Cl)ccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000482839826 1113376116 /nfs/dbraw/zinc/37/61/16/1113376116.db2.gz OAYRYWCGDDJJKP-UHFFFAOYSA-N 2 2 359.901 4.261 20 0 FIADLP C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486475181 1113576296 /nfs/dbraw/zinc/57/62/96/1113576296.db2.gz JPXNIEDTWVXRIU-WIYYLYMNSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486475181 1113576300 /nfs/dbraw/zinc/57/63/00/1113576300.db2.gz JPXNIEDTWVXRIU-WIYYLYMNSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@H]([NH2+]Cc1nc2c(s1)C[C@H](C)CC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486561860 1113594873 /nfs/dbraw/zinc/59/48/73/1113594873.db2.gz GUKYESCTHJTKTD-ZIFCJYIRSA-N 2 2 369.578 4.268 20 0 FIADLP C[C@H]([NH2+]Cc1nc2c(s1)C[C@H](C)CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486561860 1113594876 /nfs/dbraw/zinc/59/48/76/1113594876.db2.gz GUKYESCTHJTKTD-ZIFCJYIRSA-N 2 2 369.578 4.268 20 0 FIADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CC3 ZINC000490163726 1114227827 /nfs/dbraw/zinc/22/78/27/1114227827.db2.gz GPIBHVZXROXMBP-GOSISDBHSA-N 2 2 356.473 4.309 20 0 FIADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(OC)cc2)c2ccccc2Cl)C1 ZINC000490167668 1114228301 /nfs/dbraw/zinc/22/83/01/1114228301.db2.gz LYIZUKPRYSCAPF-IERDGZPVSA-N 2 2 358.913 4.369 20 0 FIADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(OC)cc2)c2ccccc2Cl)C1 ZINC000490167668 1114228305 /nfs/dbraw/zinc/22/83/05/1114228305.db2.gz LYIZUKPRYSCAPF-IERDGZPVSA-N 2 2 358.913 4.369 20 0 FIADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(OC)cc2)c2ccccc2Cl)C1 ZINC000490167670 1114228522 /nfs/dbraw/zinc/22/85/22/1114228522.db2.gz LYIZUKPRYSCAPF-KKSFZXQISA-N 2 2 358.913 4.369 20 0 FIADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(OC)cc2)c2ccccc2Cl)C1 ZINC000490167670 1114228525 /nfs/dbraw/zinc/22/85/25/1114228525.db2.gz LYIZUKPRYSCAPF-KKSFZXQISA-N 2 2 358.913 4.369 20 0 FIADLP Brc1cccc(-c2ccc(C[NH2+]CCC[NH+]3CCCC3)o2)c1 ZINC000588281413 1114569693 /nfs/dbraw/zinc/56/96/93/1114569693.db2.gz WVMONBLLWHFKIE-UHFFFAOYSA-N 2 2 363.299 4.285 20 0 FIADLP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000588858318 1114660314 /nfs/dbraw/zinc/66/03/14/1114660314.db2.gz VLLZELUBUNIMQO-UHFFFAOYSA-N 2 2 350.466 4.127 20 0 FIADLP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000588858318 1114660318 /nfs/dbraw/zinc/66/03/18/1114660318.db2.gz VLLZELUBUNIMQO-UHFFFAOYSA-N 2 2 350.466 4.127 20 0 FIADLP OCC1([C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2)CC=CC1 ZINC000646080761 1114828196 /nfs/dbraw/zinc/82/81/96/1114828196.db2.gz VLJKDPNATFZDQD-JOCHJYFZSA-N 2 2 359.473 4.032 20 0 FIADLP COCc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC000573288750 1115084621 /nfs/dbraw/zinc/08/46/21/1115084621.db2.gz IOVAINPJHPFHCY-UHFFFAOYSA-N 2 2 369.896 4.385 20 0 FIADLP COCc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC000573288750 1115084625 /nfs/dbraw/zinc/08/46/25/1115084625.db2.gz IOVAINPJHPFHCY-UHFFFAOYSA-N 2 2 369.896 4.385 20 0 FIADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)c2nnc(C)s2)ccc1OC ZINC000760880992 1115120726 /nfs/dbraw/zinc/12/07/26/1115120726.db2.gz KZONWDGOVPHTTD-KBPBESRZSA-N 2 2 362.543 4.109 20 0 FIADLP COc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1OC1CCCC1 ZINC000573793192 1115181596 /nfs/dbraw/zinc/18/15/96/1115181596.db2.gz WUCNMNOENGXXAW-UXHICEINSA-N 2 2 352.478 4.251 20 0 FIADLP CCOc1cccc(/C=[NH+]/CC2CC[NH+](Cc3cccs3)CC2)c1O ZINC000060789472 1115706945 /nfs/dbraw/zinc/70/69/45/1115706945.db2.gz OPVVQGWFKVCQAH-KGENOOAVSA-N 2 2 358.507 4.184 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccccc1Br)c1ccccc1 ZINC000608069303 1116080735 /nfs/dbraw/zinc/08/07/35/1116080735.db2.gz BDEZGHFGZYTFRK-SFHVURJKSA-N 2 2 370.294 4.256 20 0 FIADLP CCO[C@@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1(CC)CC ZINC000539690306 1116365887 /nfs/dbraw/zinc/36/58/87/1116365887.db2.gz WYRURGBCKLBYEP-VQTJNVASSA-N 2 2 374.573 4.008 20 0 FIADLP Cc1cc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(C)s1 ZINC000539691197 1116366188 /nfs/dbraw/zinc/36/61/88/1116366188.db2.gz YSPNNFYFHWYBSA-HNNXBMFYSA-N 2 2 358.555 4.463 20 0 FIADLP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000539817124 1116384501 /nfs/dbraw/zinc/38/45/01/1116384501.db2.gz AMYRANRGEFAJKN-SFHVURJKSA-N 2 2 351.332 4.208 20 0 FIADLP Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000539817124 1116384502 /nfs/dbraw/zinc/38/45/02/1116384502.db2.gz AMYRANRGEFAJKN-SFHVURJKSA-N 2 2 351.332 4.208 20 0 FIADLP C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539830560 1116388135 /nfs/dbraw/zinc/38/81/35/1116388135.db2.gz FDYKRDLPCMYFRF-HXUWFJFHSA-N 2 2 360.505 4.031 20 0 FIADLP C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539830560 1116388137 /nfs/dbraw/zinc/38/81/37/1116388137.db2.gz FDYKRDLPCMYFRF-HXUWFJFHSA-N 2 2 360.505 4.031 20 0 FIADLP C[NH+](Cc1cc(-c2ccccc2)n[nH]1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539830560 1116388139 /nfs/dbraw/zinc/38/81/39/1116388139.db2.gz FDYKRDLPCMYFRF-HXUWFJFHSA-N 2 2 360.505 4.031 20 0 FIADLP C[NH+](Cc1cc(-c2ccccc2)n[nH]1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539830560 1116388141 /nfs/dbraw/zinc/38/81/41/1116388141.db2.gz FDYKRDLPCMYFRF-HXUWFJFHSA-N 2 2 360.505 4.031 20 0 FIADLP Cc1nc2ccccn2c1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000539831737 1116388332 /nfs/dbraw/zinc/38/83/32/1116388332.db2.gz DPDKPTLAXZWULO-GHTZIAJQSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1nc2ccccn2c1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000539831737 1116388334 /nfs/dbraw/zinc/38/83/34/1116388334.db2.gz DPDKPTLAXZWULO-GHTZIAJQSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1nc2ccccn2c1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000539831737 1116388336 /nfs/dbraw/zinc/38/83/36/1116388336.db2.gz DPDKPTLAXZWULO-GHTZIAJQSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1nc2ccccn2c1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000539831737 1116388338 /nfs/dbraw/zinc/38/83/38/1116388338.db2.gz DPDKPTLAXZWULO-GHTZIAJQSA-N 2 2 362.521 4.128 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000462814219 1117791443 /nfs/dbraw/zinc/79/14/43/1117791443.db2.gz OTXYAAKOSGPASF-ROUUACIJSA-N 2 2 364.468 4.189 20 0 FIADLP COc1ccc(F)cc1C[NH2+][C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000462905670 1117840462 /nfs/dbraw/zinc/84/04/62/1117840462.db2.gz JAFAQOIZAOBBRJ-TZIWHRDSSA-N 2 2 351.425 4.049 20 0 FIADLP Fc1ccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c(Cl)c1 ZINC000463121576 1117979095 /nfs/dbraw/zinc/97/90/95/1117979095.db2.gz XJGLLQOSPDAFIE-UHFFFAOYSA-N 2 2 352.803 4.028 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1 ZINC000463120469 1117979215 /nfs/dbraw/zinc/97/92/15/1117979215.db2.gz VYRKYIMYTZSIKZ-OYDLWJJNSA-N 2 2 365.565 4.240 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1 ZINC000463120469 1117979218 /nfs/dbraw/zinc/97/92/18/1117979218.db2.gz VYRKYIMYTZSIKZ-OYDLWJJNSA-N 2 2 365.565 4.240 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000463263604 1118057984 /nfs/dbraw/zinc/05/79/84/1118057984.db2.gz DDMOZZNRDNMIRY-MMOPVJDHSA-N 2 2 354.469 4.292 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)CC[N@H+]1Cc1ccccc1 ZINC000463263604 1118057989 /nfs/dbraw/zinc/05/79/89/1118057989.db2.gz DDMOZZNRDNMIRY-MMOPVJDHSA-N 2 2 354.469 4.292 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000463287542 1118083637 /nfs/dbraw/zinc/08/36/37/1118083637.db2.gz MUKUOTKJIMKEMU-NBCNXNJRSA-N 2 2 374.475 4.295 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000463287542 1118083642 /nfs/dbraw/zinc/08/36/42/1118083642.db2.gz MUKUOTKJIMKEMU-NBCNXNJRSA-N 2 2 374.475 4.295 20 0 FIADLP Clc1cccc(N2CCCC2)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000540505997 1118097383 /nfs/dbraw/zinc/09/73/83/1118097383.db2.gz WZWFVXKXDMXGEE-SFHVURJKSA-N 2 2 361.961 4.248 20 0 FIADLP Clc1cccc(N2CCCC2)c1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000540505997 1118097387 /nfs/dbraw/zinc/09/73/87/1118097387.db2.gz WZWFVXKXDMXGEE-SFHVURJKSA-N 2 2 361.961 4.248 20 0 FIADLP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C12CCCCC2 ZINC000540597506 1118139706 /nfs/dbraw/zinc/13/97/06/1118139706.db2.gz TWXGGRICDSXTSV-RTWAWAEBSA-N 2 2 353.510 4.149 20 0 FIADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cc(F)cc(F)c1 ZINC000540787530 1118246831 /nfs/dbraw/zinc/24/68/31/1118246831.db2.gz GCTVWPHPNASBOX-AWEZNQCLSA-N 2 2 360.452 4.063 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H](Cc3ccccc3)C3CC3)[nH+]c2)CC1 ZINC000540787732 1118247111 /nfs/dbraw/zinc/24/71/11/1118247111.db2.gz VPKIBKLKWLYMRH-QFIPXVFZSA-N 2 2 364.537 4.045 20 0 FIADLP C[C@@H](CCc1cccc(F)c1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000540788774 1118247483 /nfs/dbraw/zinc/24/74/83/1118247483.db2.gz LLJSUKDJZCOAJV-KRWDZBQOSA-N 2 2 370.516 4.184 20 0 FIADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000541202119 1118421235 /nfs/dbraw/zinc/42/12/35/1118421235.db2.gz FLINGOZPBNDSTM-IBGZPJMESA-N 2 2 368.525 4.019 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000508680730 1118488507 /nfs/dbraw/zinc/48/85/07/1118488507.db2.gz VMRUSASMFULCIU-CQSZACIVSA-N 2 2 358.536 4.060 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000508680730 1118488510 /nfs/dbraw/zinc/48/85/10/1118488510.db2.gz VMRUSASMFULCIU-CQSZACIVSA-N 2 2 358.536 4.060 20 0 FIADLP Cc1cc([C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)c2cccnc2)ccc1F ZINC000541548061 1118551809 /nfs/dbraw/zinc/55/18/09/1118551809.db2.gz FIFVJPKDHHKCFI-JOCHJYFZSA-N 2 2 355.501 4.330 20 0 FIADLP FC(F)(F)C1(C(F)(F)F)CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000541534117 1118552644 /nfs/dbraw/zinc/55/26/44/1118552644.db2.gz KRNCJRFRTRRBJI-UHFFFAOYSA-N 2 2 369.334 4.251 20 0 FIADLP FC(F)(F)C1(C(F)(F)F)CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000541534117 1118552645 /nfs/dbraw/zinc/55/26/45/1118552645.db2.gz KRNCJRFRTRRBJI-UHFFFAOYSA-N 2 2 369.334 4.251 20 0 FIADLP CC[N@H+](CCO[C@H]1CCCC[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807730 1118707654 /nfs/dbraw/zinc/70/76/54/1118707654.db2.gz INMLRPOWNNJCNN-FPOVZHCZSA-N 2 2 359.558 4.215 20 0 FIADLP CC[N@@H+](CCO[C@H]1CCCC[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807730 1118707656 /nfs/dbraw/zinc/70/76/56/1118707656.db2.gz INMLRPOWNNJCNN-FPOVZHCZSA-N 2 2 359.558 4.215 20 0 FIADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000542132089 1118807868 /nfs/dbraw/zinc/80/78/68/1118807868.db2.gz JEYXTVWMQSUHQK-LJQANCHMSA-N 2 2 368.525 4.019 20 0 FIADLP Cc1ccc(C2CC(Nc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)C2)cc1 ZINC000542159461 1118817820 /nfs/dbraw/zinc/81/78/20/1118817820.db2.gz VYOQWLXGUJTXFW-UHFFFAOYSA-N 2 2 364.537 4.279 20 0 FIADLP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000151694435 1118960524 /nfs/dbraw/zinc/96/05/24/1118960524.db2.gz WPHRPEZHLNMVIP-SJORKVTESA-N 2 2 365.477 4.171 20 0 FIADLP C[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492463000 1119098041 /nfs/dbraw/zinc/09/80/41/1119098041.db2.gz HRXMWOYZGFQBQA-SJLPKXTDSA-N 2 2 367.518 4.403 20 0 FIADLP C[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492463000 1119098044 /nfs/dbraw/zinc/09/80/44/1119098044.db2.gz HRXMWOYZGFQBQA-SJLPKXTDSA-N 2 2 367.518 4.403 20 0 FIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc2ccccc2n1 ZINC000177847960 1119356059 /nfs/dbraw/zinc/35/60/59/1119356059.db2.gz JUJANTZXAGTVFD-SFHVURJKSA-N 2 2 356.473 4.373 20 0 FIADLP Cc1cc(Br)cc2c1[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000493926975 1119510525 /nfs/dbraw/zinc/51/05/25/1119510525.db2.gz PTORGCDIIHADHH-QGZVFWFLSA-N 2 2 374.326 4.110 20 0 FIADLP CCSc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000185541067 1119670933 /nfs/dbraw/zinc/67/09/33/1119670933.db2.gz GZMLQBMZQAKGKN-UWJYYQICSA-N 2 2 355.551 4.194 20 0 FIADLP CCSc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000185541067 1119670937 /nfs/dbraw/zinc/67/09/37/1119670937.db2.gz GZMLQBMZQAKGKN-UWJYYQICSA-N 2 2 355.551 4.194 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1csc(Cl)c1 ZINC000191129268 1119961713 /nfs/dbraw/zinc/96/17/13/1119961713.db2.gz MYPRESXIYGGUDP-CQSZACIVSA-N 2 2 350.915 4.085 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccnn1-c1ccccc1 ZINC000467375018 1119988074 /nfs/dbraw/zinc/98/80/74/1119988074.db2.gz ABQIEMIZTCTUPV-INIZCTEOSA-N 2 2 361.424 4.048 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000192160786 1120032927 /nfs/dbraw/zinc/03/29/27/1120032927.db2.gz CJDXOXZVESSTHI-CVDCTZTESA-N 2 2 361.489 4.438 20 0 FIADLP COc1cccc(C[NH+]2CCC([NH2+][C@@H](C)Cc3cccc(F)c3)CC2)c1 ZINC001168470004 1120254905 /nfs/dbraw/zinc/25/49/05/1120254905.db2.gz WDDLZRYOSITXFG-KRWDZBQOSA-N 2 2 356.485 4.020 20 0 FIADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H](C)Cc2cccc(F)c2)CC1 ZINC001168470455 1120262731 /nfs/dbraw/zinc/26/27/31/1120262731.db2.gz YOEORXIAMAFEHD-QGZVFWFLSA-N 2 2 358.476 4.458 20 0 FIADLP c1nnc([C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C2CCCCC2)[nH]1 ZINC000494878327 1120354653 /nfs/dbraw/zinc/35/46/53/1120354653.db2.gz LGVAHWSCVGLHSO-OAQYLSRUSA-N 2 2 367.541 4.202 20 0 FIADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000495020903 1120436678 /nfs/dbraw/zinc/43/66/78/1120436678.db2.gz VJIKHTAKISCSJV-GOSISDBHSA-N 2 2 372.557 4.083 20 0 FIADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000495020903 1120436682 /nfs/dbraw/zinc/43/66/82/1120436682.db2.gz VJIKHTAKISCSJV-GOSISDBHSA-N 2 2 372.557 4.083 20 0 FIADLP FC(F)(F)Oc1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000302982014 1120721145 /nfs/dbraw/zinc/72/11/45/1120721145.db2.gz VKGGOYVLABBHPR-UHFFFAOYSA-N 2 2 361.367 4.103 20 0 FIADLP Clc1ccc2[nH+]ccc(NC[C@H](c3cccs3)[NH+]3CCOCC3)c2c1 ZINC000303632166 1120780482 /nfs/dbraw/zinc/78/04/82/1120780482.db2.gz YWJQTEPOOWYYDA-GOSISDBHSA-N 2 2 373.909 4.435 20 0 FIADLP Clc1ccc2[nH+]ccc(NC[C@@H](c3cccs3)[NH+]3CCOCC3)c2c1 ZINC000303632168 1120780576 /nfs/dbraw/zinc/78/05/76/1120780576.db2.gz YWJQTEPOOWYYDA-SFHVURJKSA-N 2 2 373.909 4.435 20 0 FIADLP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000762743501 1120957239 /nfs/dbraw/zinc/95/72/39/1120957239.db2.gz CHDQCUYGLGQUFP-CYBMUJFWSA-N 2 2 360.315 4.146 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000237719139 1120982816 /nfs/dbraw/zinc/98/28/16/1120982816.db2.gz QDYSJDFCDZZRLY-WMZHIEFXSA-N 2 2 374.532 4.323 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000237719139 1120982819 /nfs/dbraw/zinc/98/28/19/1120982819.db2.gz QDYSJDFCDZZRLY-WMZHIEFXSA-N 2 2 374.532 4.323 20 0 FIADLP Clc1ccc(OCc2cccnc2)c(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000237762892 1120983570 /nfs/dbraw/zinc/98/35/70/1120983570.db2.gz NIDJJRGLWCRAAI-UHFFFAOYSA-N 2 2 373.928 4.280 20 0 FIADLP c1coc(COCc2cccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)c2)c1 ZINC000030913332 1121071324 /nfs/dbraw/zinc/07/13/24/1121071324.db2.gz LSOJLTLTRRHTIK-UHFFFAOYSA-N 2 2 373.456 4.472 20 0 FIADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc1 ZINC000282173637 1121343414 /nfs/dbraw/zinc/34/34/14/1121343414.db2.gz VHNXGFIHZMJCOO-CQSZACIVSA-N 2 2 364.415 4.013 20 0 FIADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc1 ZINC000282173637 1121343424 /nfs/dbraw/zinc/34/34/24/1121343424.db2.gz VHNXGFIHZMJCOO-CQSZACIVSA-N 2 2 364.415 4.013 20 0 FIADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000124921390 1121731873 /nfs/dbraw/zinc/73/18/73/1121731873.db2.gz BLAGDKSZFNRJFG-SFHVURJKSA-N 2 2 367.415 4.064 20 0 FIADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000124921390 1121731883 /nfs/dbraw/zinc/73/18/83/1121731883.db2.gz BLAGDKSZFNRJFG-SFHVURJKSA-N 2 2 367.415 4.064 20 0 FIADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000125497602 1121785790 /nfs/dbraw/zinc/78/57/90/1121785790.db2.gz VHOVMCHQRJKWMR-SFHVURJKSA-N 2 2 368.308 4.352 20 0 FIADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000125497602 1121785803 /nfs/dbraw/zinc/78/58/03/1121785803.db2.gz VHOVMCHQRJKWMR-SFHVURJKSA-N 2 2 368.308 4.352 20 0 FIADLP C[C@@H]([NH2+]Cc1c(F)cccc1N1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000497680930 1122347095 /nfs/dbraw/zinc/34/70/95/1122347095.db2.gz ZMPDRRLDYMDMRR-QGZVFWFLSA-N 2 2 364.468 4.462 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2csc(Br)c2)C[C@@H]1c1ccccc1 ZINC000556058573 1122628271 /nfs/dbraw/zinc/62/82/71/1122628271.db2.gz MESIKKMQYVFRHW-JKSUJKDBSA-N 2 2 365.340 4.436 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]Cc2csc(Br)c2)C[C@@H]1c1ccccc1 ZINC000556058573 1122628273 /nfs/dbraw/zinc/62/82/73/1122628273.db2.gz MESIKKMQYVFRHW-JKSUJKDBSA-N 2 2 365.340 4.436 20 0 FIADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Sc1ccccc1 ZINC000129767101 1122695991 /nfs/dbraw/zinc/69/59/91/1122695991.db2.gz VIJDZTWRQAYBTG-UEXGIBASSA-N 2 2 355.551 4.062 20 0 FIADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Sc1ccccc1 ZINC000129767101 1122695994 /nfs/dbraw/zinc/69/59/94/1122695994.db2.gz VIJDZTWRQAYBTG-UEXGIBASSA-N 2 2 355.551 4.062 20 0 FIADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCSc2ccc(Br)cc21 ZINC000131122139 1122986904 /nfs/dbraw/zinc/98/69/04/1122986904.db2.gz IULYSJMHOIGJJX-HNNXBMFYSA-N 2 2 366.328 4.205 20 0 FIADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCSc2ccc(Br)cc21 ZINC000131122139 1122986907 /nfs/dbraw/zinc/98/69/07/1122986907.db2.gz IULYSJMHOIGJJX-HNNXBMFYSA-N 2 2 366.328 4.205 20 0 FIADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000131121915 1122987090 /nfs/dbraw/zinc/98/70/90/1122987090.db2.gz IULYSJMHOIGJJX-OAHLLOKOSA-N 2 2 366.328 4.205 20 0 FIADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000131121915 1122987093 /nfs/dbraw/zinc/98/70/93/1122987093.db2.gz IULYSJMHOIGJJX-OAHLLOKOSA-N 2 2 366.328 4.205 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C1 ZINC000131379859 1123055576 /nfs/dbraw/zinc/05/55/76/1123055576.db2.gz QUOWYEVHZMMXQT-JOCHJYFZSA-N 2 2 368.569 4.020 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C1 ZINC000131379859 1123055581 /nfs/dbraw/zinc/05/55/81/1123055581.db2.gz QUOWYEVHZMMXQT-JOCHJYFZSA-N 2 2 368.569 4.020 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(C)c1OC ZINC000556869171 1123151199 /nfs/dbraw/zinc/15/11/99/1123151199.db2.gz GKZDKUSVKDMDBH-MRXNPFEDSA-N 2 2 351.450 4.049 20 0 FIADLP CC[N@@H+](Cc1nc2ccccc2s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072867829 1123170479 /nfs/dbraw/zinc/17/04/79/1123170479.db2.gz ANGSNGPAGXBEDR-UHFFFAOYSA-N 2 2 366.534 4.430 20 0 FIADLP CC[N@H+](Cc1nc2ccccc2s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072867829 1123170485 /nfs/dbraw/zinc/17/04/85/1123170485.db2.gz ANGSNGPAGXBEDR-UHFFFAOYSA-N 2 2 366.534 4.430 20 0 FIADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000499052997 1123174858 /nfs/dbraw/zinc/17/48/58/1123174858.db2.gz HESKVPVPPJHPEP-OAHLLOKOSA-N 2 2 354.281 4.042 20 0 FIADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000499052997 1123174860 /nfs/dbraw/zinc/17/48/60/1123174860.db2.gz HESKVPVPPJHPEP-OAHLLOKOSA-N 2 2 354.281 4.042 20 0 FIADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCS2 ZINC000132123147 1123220748 /nfs/dbraw/zinc/22/07/48/1123220748.db2.gz YAYZFOGMMGBISF-IBGZPJMESA-N 2 2 367.493 4.440 20 0 FIADLP Cc1cccc(C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C2CC2)c1 ZINC000132280284 1123238605 /nfs/dbraw/zinc/23/86/05/1123238605.db2.gz HZDHZXJRKXNYTN-QHCPKHFHSA-N 2 2 359.517 4.393 20 0 FIADLP CC(C)[NH+](CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000499237449 1123349563 /nfs/dbraw/zinc/34/95/63/1123349563.db2.gz MZOIJGFTXIAOKN-NUNAXRQHSA-N 3 2 357.586 4.281 20 0 FIADLP CC(C)[NH+](CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000499237449 1123349566 /nfs/dbraw/zinc/34/95/66/1123349566.db2.gz MZOIJGFTXIAOKN-NUNAXRQHSA-N 3 2 357.586 4.281 20 0 FIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@@H+]2CCC[C@H]2C(C)C)c1=S ZINC000920486181 1123462751 /nfs/dbraw/zinc/46/27/51/1123462751.db2.gz ZWGKMHGJJPSFCC-SJORKVTESA-N 2 2 367.607 4.305 20 0 FIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@H+]2CCC[C@H]2C(C)C)c1=S ZINC000920486181 1123462754 /nfs/dbraw/zinc/46/27/54/1123462754.db2.gz ZWGKMHGJJPSFCC-SJORKVTESA-N 2 2 367.607 4.305 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134931570 1123696072 /nfs/dbraw/zinc/69/60/72/1123696072.db2.gz HHCCDNRXOKAJPZ-NQIIRXRSSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134931570 1123696073 /nfs/dbraw/zinc/69/60/73/1123696073.db2.gz HHCCDNRXOKAJPZ-NQIIRXRSSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134931570 1123696077 /nfs/dbraw/zinc/69/60/77/1123696077.db2.gz HHCCDNRXOKAJPZ-NQIIRXRSSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134931570 1123696080 /nfs/dbraw/zinc/69/60/80/1123696080.db2.gz HHCCDNRXOKAJPZ-NQIIRXRSSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)o2)cc1 ZINC000136585688 1123911715 /nfs/dbraw/zinc/91/17/15/1123911715.db2.gz ZJFRKMWMVIMCKO-FGZHOGPDSA-N 2 2 368.521 4.113 20 0 FIADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)o1 ZINC000237665217 1124017979 /nfs/dbraw/zinc/01/79/79/1124017979.db2.gz PLSYEMBLULVYGF-HRAATJIYSA-N 2 2 353.510 4.228 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245677435 1124187154 /nfs/dbraw/zinc/18/71/54/1124187154.db2.gz IGNLUJIJNRJWKI-XBYSBRQOSA-N 3 2 355.570 4.036 20 0 FIADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245677435 1124187160 /nfs/dbraw/zinc/18/71/60/1124187160.db2.gz IGNLUJIJNRJWKI-XBYSBRQOSA-N 3 2 355.570 4.036 20 0 FIADLP C[C@@H]1CCCC[NH+]1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245677435 1124187166 /nfs/dbraw/zinc/18/71/66/1124187166.db2.gz IGNLUJIJNRJWKI-XBYSBRQOSA-N 3 2 355.570 4.036 20 0 FIADLP C[C@@H]1CCCC[NH+]1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245677435 1124187176 /nfs/dbraw/zinc/18/71/76/1124187176.db2.gz IGNLUJIJNRJWKI-XBYSBRQOSA-N 3 2 355.570 4.036 20 0 FIADLP Clc1ccc2c(NC[C@H](c3cccs3)[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000301747947 1124257168 /nfs/dbraw/zinc/25/71/68/1124257168.db2.gz GHURMZPLZWCPKY-GOSISDBHSA-N 2 2 373.909 4.435 20 0 FIADLP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246098108 1124349777 /nfs/dbraw/zinc/34/97/77/1124349777.db2.gz VZCLTTFFODWUDX-IAGOWNOFSA-N 2 2 362.562 4.405 20 0 FIADLP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246098108 1124349786 /nfs/dbraw/zinc/34/97/86/1124349786.db2.gz VZCLTTFFODWUDX-IAGOWNOFSA-N 2 2 362.562 4.405 20 0 FIADLP CC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Oc1cccc(C)c1 ZINC000246368866 1124470978 /nfs/dbraw/zinc/47/09/78/1124470978.db2.gz JCLRPWQLBDOHAL-LSWJPFSZSA-N 2 2 367.537 4.048 20 0 FIADLP CC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Oc1cccc(C)c1 ZINC000246368866 1124470981 /nfs/dbraw/zinc/47/09/81/1124470981.db2.gz JCLRPWQLBDOHAL-LSWJPFSZSA-N 2 2 367.537 4.048 20 0 FIADLP Cc1cccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246868447 1124568739 /nfs/dbraw/zinc/56/87/39/1124568739.db2.gz CIPKNIXATNSWMB-KNQAVFIVSA-N 2 2 351.538 4.168 20 0 FIADLP Cc1cccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246868447 1124568742 /nfs/dbraw/zinc/56/87/42/1124568742.db2.gz CIPKNIXATNSWMB-KNQAVFIVSA-N 2 2 351.538 4.168 20 0 FIADLP Cc1cccc([C@H]2CCC[NH+]2CCC[N@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000140296108 1124594665 /nfs/dbraw/zinc/59/46/65/1124594665.db2.gz SUAYZNDOVMSQPE-ZRZAMGCNSA-N 2 2 364.537 4.458 20 0 FIADLP Cc1cccc([C@H]2CCC[NH+]2CCC[N@@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000140296108 1124594678 /nfs/dbraw/zinc/59/46/78/1124594678.db2.gz SUAYZNDOVMSQPE-ZRZAMGCNSA-N 2 2 364.537 4.458 20 0 FIADLP Cc1cccc([C@H]2CCC[N@H+]2CCC[NH+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000140296108 1124594690 /nfs/dbraw/zinc/59/46/90/1124594690.db2.gz SUAYZNDOVMSQPE-ZRZAMGCNSA-N 2 2 364.537 4.458 20 0 FIADLP Cc1cccc([C@H]2CCC[N@@H+]2CCC[NH+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000140296108 1124594702 /nfs/dbraw/zinc/59/47/02/1124594702.db2.gz SUAYZNDOVMSQPE-ZRZAMGCNSA-N 2 2 364.537 4.458 20 0 FIADLP CCc1nc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000248418779 1124766280 /nfs/dbraw/zinc/76/62/80/1124766280.db2.gz TYKADKWXPVENPK-GDAAHCPNSA-N 2 2 355.551 4.267 20 0 FIADLP CCc1nc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000248418779 1124766286 /nfs/dbraw/zinc/76/62/86/1124766286.db2.gz TYKADKWXPVENPK-GDAAHCPNSA-N 2 2 355.551 4.267 20 0 FIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2nccn2-c2ccccc2)[C@H]1c1cccs1 ZINC000249347019 1124854885 /nfs/dbraw/zinc/85/48/85/1124854885.db2.gz FGGWUTLCUCZJIY-UTKZUKDTSA-N 2 2 366.534 4.107 20 0 FIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2nccn2-c2ccccc2)[C@H]1c1cccs1 ZINC000249347019 1124854892 /nfs/dbraw/zinc/85/48/92/1124854892.db2.gz FGGWUTLCUCZJIY-UTKZUKDTSA-N 2 2 366.534 4.107 20 0 FIADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000090667738 1125013944 /nfs/dbraw/zinc/01/39/44/1125013944.db2.gz SVQYVPNAGLZEJJ-GCJKJVERSA-N 2 2 365.521 4.419 20 0 FIADLP COc1ccc([C@H](C)[NH2+]Cc2nc(C)cs2)cc1C[NH+]1CCCCC1 ZINC000182292057 1125317124 /nfs/dbraw/zinc/31/71/24/1125317124.db2.gz ARIVJKIWKSTTQM-INIZCTEOSA-N 2 2 359.539 4.297 20 0 FIADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CCO1 ZINC000275498257 527513065 /nfs/dbraw/zinc/51/30/65/527513065.db2.gz JMMBSWWRLUXLPH-GCJKJVERSA-N 2 2 363.461 4.222 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000521418893 567971675 /nfs/dbraw/zinc/97/16/75/567971675.db2.gz QOLHBWYCJFCMTO-UHFFFAOYSA-N 2 2 367.424 4.228 20 0 FIADLP Cc1ccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1Oc1cc[nH+]cc1 ZINC000604321021 568246872 /nfs/dbraw/zinc/24/68/72/568246872.db2.gz VXFBWUUFMMOVJX-UHFFFAOYSA-N 2 2 367.493 4.129 20 0 FIADLP Cc1ccc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1Oc1cc[nH+]cc1 ZINC000604321021 568246873 /nfs/dbraw/zinc/24/68/73/568246873.db2.gz VXFBWUUFMMOVJX-UHFFFAOYSA-N 2 2 367.493 4.129 20 0 FIADLP Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000604881745 568383788 /nfs/dbraw/zinc/38/37/88/568383788.db2.gz VKHDMXBMRXZIHQ-ZIAGYGMSSA-N 2 2 365.399 4.481 20 0 FIADLP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000604881745 568383789 /nfs/dbraw/zinc/38/37/89/568383789.db2.gz VKHDMXBMRXZIHQ-ZIAGYGMSSA-N 2 2 365.399 4.481 20 0 FIADLP Fc1ccc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c(Cl)c1Cl ZINC000365325219 568509111 /nfs/dbraw/zinc/50/91/11/568509111.db2.gz YZVSQCYGULEVES-UHFFFAOYSA-N 2 2 351.212 4.003 20 0 FIADLP CC(C)c1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)[nH+]c1 ZINC001164792241 721495859 /nfs/dbraw/zinc/49/58/59/721495859.db2.gz LFFZKDKNEZZPCB-UHFFFAOYSA-N 2 2 364.537 4.481 20 0 FIADLP CC(C)c1ccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)[nH+]c1 ZINC001164792241 721495863 /nfs/dbraw/zinc/49/58/63/721495863.db2.gz LFFZKDKNEZZPCB-UHFFFAOYSA-N 2 2 364.537 4.481 20 0 FIADLP CSc1cc[nH+]c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164796391 721500980 /nfs/dbraw/zinc/50/09/80/721500980.db2.gz TXLOJVLSBVCTKU-UHFFFAOYSA-N 2 2 368.550 4.080 20 0 FIADLP CSc1cc[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164796391 721500984 /nfs/dbraw/zinc/50/09/84/721500984.db2.gz TXLOJVLSBVCTKU-UHFFFAOYSA-N 2 2 368.550 4.080 20 0 FIADLP COc1cc2cc[nH+]c(N3CCCC[C@H]3CC[NH+]3CCCC3)c2cc1F ZINC001165048757 721978705 /nfs/dbraw/zinc/97/87/05/721978705.db2.gz GPVXBSDJSNXXPO-KRWDZBQOSA-N 2 2 357.473 4.227 20 0 FIADLP Cc1cc2cc([C@H](C)[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)oc2cc1C ZINC000765972532 1125511656 /nfs/dbraw/zinc/51/16/56/1125511656.db2.gz AIHKBVATPKJHDW-FXAWDEMLSA-N 2 2 356.510 4.344 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2cccc(Br)c21 ZINC000152800219 1125654730 /nfs/dbraw/zinc/65/47/30/1125654730.db2.gz LSZOGSWBXIFTIW-DYVFJYSZSA-N 2 2 374.326 4.363 20 0 FIADLP Cc1nc2ccc(C[NH2+][C@@H](Cc3[nH+]ccn3C)c3ccccc3)cc2s1 ZINC000683146030 1079680137 /nfs/dbraw/zinc/68/01/37/1079680137.db2.gz VAIHUXMNCWVUJO-IBGZPJMESA-N 2 2 362.502 4.412 20 0 FIADLP Fc1ccc2nc(C[NH2+]C[C@H]3CCC[N@H+](Cc4ccccc4)C3)sc2c1 ZINC000683202299 1079943670 /nfs/dbraw/zinc/94/36/70/1079943670.db2.gz BZNZOEIRKOZWLE-QGZVFWFLSA-N 2 2 369.509 4.437 20 0 FIADLP Fc1ccc2nc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)sc2c1 ZINC000683202299 1079943672 /nfs/dbraw/zinc/94/36/72/1079943672.db2.gz BZNZOEIRKOZWLE-QGZVFWFLSA-N 2 2 369.509 4.437 20 0 FIADLP Fc1cc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)ccc1Br ZINC000430244570 1080079264 /nfs/dbraw/zinc/07/92/64/1080079264.db2.gz PLZRHCQHVKEQPH-MRXNPFEDSA-N 2 2 352.251 4.012 20 0 FIADLP Fc1cc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)ccc1Br ZINC000430244570 1080079273 /nfs/dbraw/zinc/07/92/73/1080079273.db2.gz PLZRHCQHVKEQPH-MRXNPFEDSA-N 2 2 352.251 4.012 20 0 FIADLP Cc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000471244024 1080569022 /nfs/dbraw/zinc/56/90/22/1080569022.db2.gz MQENYXFMHLQYPB-UHFFFAOYSA-N 2 2 372.516 4.313 20 0 FIADLP CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)c1cccc(OC)c1 ZINC001167131909 1080661872 /nfs/dbraw/zinc/66/18/72/1080661872.db2.gz USMWUTCBEAPMKO-IBGZPJMESA-N 2 2 368.521 4.111 20 0 FIADLP CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)c1cccc(OC)c1 ZINC001167131909 1080661875 /nfs/dbraw/zinc/66/18/75/1080661875.db2.gz USMWUTCBEAPMKO-IBGZPJMESA-N 2 2 368.521 4.111 20 0 FIADLP Cc1cccc([C@H]2CCC[N@@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC001167138936 1080684178 /nfs/dbraw/zinc/68/41/78/1080684178.db2.gz TUCBOMLPYUJXJY-DNQXCXABSA-N 2 2 364.533 4.423 20 0 FIADLP Cc1cccc([C@H]2CCC[N@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC001167138936 1080684179 /nfs/dbraw/zinc/68/41/79/1080684179.db2.gz TUCBOMLPYUJXJY-DNQXCXABSA-N 2 2 364.533 4.423 20 0 FIADLP Cc1cccc([C@H]2CCC[NH+]2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC001167138936 1080684181 /nfs/dbraw/zinc/68/41/81/1080684181.db2.gz TUCBOMLPYUJXJY-DNQXCXABSA-N 2 2 364.533 4.423 20 0 FIADLP Cc1cccc([C@H]2CCC[NH+]2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC001167138936 1080684182 /nfs/dbraw/zinc/68/41/82/1080684182.db2.gz TUCBOMLPYUJXJY-DNQXCXABSA-N 2 2 364.533 4.423 20 0 FIADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001648804660 1080995770 /nfs/dbraw/zinc/99/57/70/1080995770.db2.gz BWGIDCSGIGSEEA-UHFFFAOYSA-N 3 2 354.523 4.064 20 0 FIADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001648804660 1080995774 /nfs/dbraw/zinc/99/57/74/1080995774.db2.gz BWGIDCSGIGSEEA-UHFFFAOYSA-N 3 2 354.523 4.064 20 0 FIADLP Cc1c2ccccc2oc1[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000655710959 1081130382 /nfs/dbraw/zinc/13/03/82/1081130382.db2.gz FGEQUTIMHNRDMJ-NQIIRXRSSA-N 2 2 356.510 4.281 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000655736156 1081153183 /nfs/dbraw/zinc/15/31/83/1081153183.db2.gz MYPVDQJHQJKUDU-SBUREZEXSA-N 2 2 368.496 4.397 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)c2ccccc21 ZINC000655755247 1081175633 /nfs/dbraw/zinc/17/56/33/1081175633.db2.gz UVURSVMXCDDKMK-WBVHZDCISA-N 2 2 358.913 4.397 20 0 FIADLP C[C@@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[NH+]1CCCCCC1 ZINC000510299108 1081250424 /nfs/dbraw/zinc/25/04/24/1081250424.db2.gz PISZSCYTSFGRJQ-KRWDZBQOSA-N 2 2 366.509 4.089 20 0 FIADLP Cc1cc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC001648830143 1081267646 /nfs/dbraw/zinc/26/76/46/1081267646.db2.gz JJZCZLHVHGSFSA-UHFFFAOYSA-N 2 2 371.594 4.053 20 0 FIADLP CC(C)(CCc1ccccc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001167326827 1081415814 /nfs/dbraw/zinc/41/58/14/1081415814.db2.gz SWRDESFNQIEPDD-QHCPKHFHSA-N 2 2 366.549 4.279 20 0 FIADLP CC(C)(CCc1ccccc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001167326827 1081415821 /nfs/dbraw/zinc/41/58/21/1081415821.db2.gz SWRDESFNQIEPDD-QHCPKHFHSA-N 2 2 366.549 4.279 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)C[C@H]1c1ccccc1 ZINC000580578766 1082024320 /nfs/dbraw/zinc/02/43/20/1082024320.db2.gz HQGYLEIRPCLVFI-PMACEKPBSA-N 2 2 353.510 4.184 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)C[C@H]1c1ccccc1 ZINC000580578766 1082024328 /nfs/dbraw/zinc/02/43/28/1082024328.db2.gz HQGYLEIRPCLVFI-PMACEKPBSA-N 2 2 353.510 4.184 20 0 FIADLP Cc1ccc(C[NH+](C)Cc2cncc(C[N@H+](C)Cc3ccc(C)o3)c2)o1 ZINC000580695355 1082087087 /nfs/dbraw/zinc/08/70/87/1082087087.db2.gz JCYYVHTYPCALOW-UHFFFAOYSA-N 2 2 353.466 4.148 20 0 FIADLP Cc1ccc(C[NH+](C)Cc2cncc(C[N@@H+](C)Cc3ccc(C)o3)c2)o1 ZINC000580695355 1082087092 /nfs/dbraw/zinc/08/70/92/1082087092.db2.gz JCYYVHTYPCALOW-UHFFFAOYSA-N 2 2 353.466 4.148 20 0 FIADLP COc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C)c1OC ZINC000581217013 1082380299 /nfs/dbraw/zinc/38/02/99/1082380299.db2.gz AYDVZSYIGURWCU-UHFFFAOYSA-N 2 2 368.521 4.109 20 0 FIADLP COc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C)c1OC ZINC000581217013 1082380303 /nfs/dbraw/zinc/38/03/03/1082380303.db2.gz AYDVZSYIGURWCU-UHFFFAOYSA-N 2 2 368.521 4.109 20 0 FIADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000430554014 1082447631 /nfs/dbraw/zinc/44/76/31/1082447631.db2.gz UMRDRHSIPSNJIY-JSGCOSHPSA-N 2 2 369.456 4.388 20 0 FIADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000430554014 1082447633 /nfs/dbraw/zinc/44/76/33/1082447633.db2.gz UMRDRHSIPSNJIY-JSGCOSHPSA-N 2 2 369.456 4.388 20 0 FIADLP Cc1[nH+]cc(CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)n1-c1ccccc1 ZINC000510390272 1082474761 /nfs/dbraw/zinc/47/47/61/1082474761.db2.gz BUKYKQKXIQFHOG-UEXGIBASSA-N 2 2 352.526 4.018 20 0 FIADLP Cc1[nH+]cc(CN2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)n1-c1ccccc1 ZINC000510390272 1082474766 /nfs/dbraw/zinc/47/47/66/1082474766.db2.gz BUKYKQKXIQFHOG-UEXGIBASSA-N 2 2 352.526 4.018 20 0 FIADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000430563350 1082481070 /nfs/dbraw/zinc/48/10/70/1082481070.db2.gz IQTWMMUEPZUZCV-VCOUNFBDSA-N 2 2 365.521 4.042 20 0 FIADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000430563350 1082481073 /nfs/dbraw/zinc/48/10/73/1082481073.db2.gz IQTWMMUEPZUZCV-VCOUNFBDSA-N 2 2 365.521 4.042 20 0 FIADLP CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000276367334 1082682253 /nfs/dbraw/zinc/68/22/53/1082682253.db2.gz QIHSDIXWZVYXQJ-UHFFFAOYSA-N 2 2 362.477 4.026 20 0 FIADLP COC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(Cl)c1 ZINC000581695838 1082817930 /nfs/dbraw/zinc/81/79/30/1082817930.db2.gz GNSOVZMIOGKGTD-HXUWFJFHSA-N 2 2 355.869 4.062 20 0 FIADLP C[C@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581706407 1082828247 /nfs/dbraw/zinc/82/82/47/1082828247.db2.gz KQJJDSDPPSFZPQ-GHTZIAJQSA-N 2 2 360.505 4.077 20 0 FIADLP C[C@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581706407 1082828251 /nfs/dbraw/zinc/82/82/51/1082828251.db2.gz KQJJDSDPPSFZPQ-GHTZIAJQSA-N 2 2 360.505 4.077 20 0 FIADLP C[C@@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581706410 1082829322 /nfs/dbraw/zinc/82/93/22/1082829322.db2.gz KQJJDSDPPSFZPQ-WIYYLYMNSA-N 2 2 360.505 4.077 20 0 FIADLP C[C@@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581706410 1082829324 /nfs/dbraw/zinc/82/93/24/1082829324.db2.gz KQJJDSDPPSFZPQ-WIYYLYMNSA-N 2 2 360.505 4.077 20 0 FIADLP CC(C)(C)OC(=O)Nc1ccsc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000891725832 1083078523 /nfs/dbraw/zinc/07/85/23/1083078523.db2.gz UZHWWNPZCBTINR-CYBMUJFWSA-N 2 2 362.499 4.198 20 0 FIADLP CC(C)(C)OC(=O)Nc1ccsc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000891725832 1083078531 /nfs/dbraw/zinc/07/85/31/1083078531.db2.gz UZHWWNPZCBTINR-CYBMUJFWSA-N 2 2 362.499 4.198 20 0 FIADLP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000510665216 1083227179 /nfs/dbraw/zinc/22/71/79/1083227179.db2.gz BWMZTCICQVTHKE-MRXNPFEDSA-N 2 2 355.432 4.321 20 0 FIADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000510698197 1083244505 /nfs/dbraw/zinc/24/45/05/1083244505.db2.gz FILCDFFASSQYBU-OAHLLOKOSA-N 2 2 365.443 4.392 20 0 FIADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000510698196 1083244622 /nfs/dbraw/zinc/24/46/22/1083244622.db2.gz FILCDFFASSQYBU-HNNXBMFYSA-N 2 2 365.443 4.392 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCc3ccc(Br)cc31)CCC2 ZINC000510720733 1083260932 /nfs/dbraw/zinc/26/09/32/1083260932.db2.gz LTXCPFSWAOPDGR-PBHICJAKSA-N 2 2 360.299 4.109 20 0 FIADLP Oc1cccc2c1CCC[C@H]2[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000581985328 1083341448 /nfs/dbraw/zinc/34/14/48/1083341448.db2.gz GYVNVMQPTJSGFN-GOSISDBHSA-N 2 2 353.853 4.399 20 0 FIADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)c(C)c1 ZINC000658225939 1083361128 /nfs/dbraw/zinc/36/11/28/1083361128.db2.gz DIZMZMGOGKYCND-OALUTQOASA-N 2 2 357.542 4.017 20 0 FIADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)c(C)c1 ZINC000658225939 1083361138 /nfs/dbraw/zinc/36/11/38/1083361138.db2.gz DIZMZMGOGKYCND-OALUTQOASA-N 2 2 357.542 4.017 20 0 FIADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)c(C)c1 ZINC000658225937 1083361530 /nfs/dbraw/zinc/36/15/30/1083361530.db2.gz DIZMZMGOGKYCND-MOPGFXCFSA-N 2 2 357.542 4.017 20 0 FIADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)c(C)c1 ZINC000658225937 1083361534 /nfs/dbraw/zinc/36/15/34/1083361534.db2.gz DIZMZMGOGKYCND-MOPGFXCFSA-N 2 2 357.542 4.017 20 0 FIADLP CC(C)CCn1cccc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645394 1083463365 /nfs/dbraw/zinc/46/33/65/1083463365.db2.gz FOKHOUNNUYLWJC-UHFFFAOYSA-N 2 2 368.569 4.068 20 0 FIADLP CC(C)CCn1cccc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645394 1083463368 /nfs/dbraw/zinc/46/33/68/1083463368.db2.gz FOKHOUNNUYLWJC-UHFFFAOYSA-N 2 2 368.569 4.068 20 0 FIADLP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000582002345 1083481218 /nfs/dbraw/zinc/48/12/18/1083481218.db2.gz CHAVYVKLHMRAET-OAQYLSRUSA-N 2 2 365.521 4.156 20 0 FIADLP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000582002345 1083481225 /nfs/dbraw/zinc/48/12/25/1083481225.db2.gz CHAVYVKLHMRAET-OAQYLSRUSA-N 2 2 365.521 4.156 20 0 FIADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000510950296 1083527288 /nfs/dbraw/zinc/52/72/88/1083527288.db2.gz YXESGXZBEOUUDY-XOBRGWDASA-N 2 2 351.425 4.358 20 0 FIADLP Cc1cccc([C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c2cccc(F)c2)c1 ZINC000510964623 1083545386 /nfs/dbraw/zinc/54/53/86/1083545386.db2.gz XYWUKAHBRJBPKN-WMZHIEFXSA-N 2 2 370.512 4.314 20 0 FIADLP Cc1cccc([C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c2cccc(F)c2)c1 ZINC000510964623 1083545398 /nfs/dbraw/zinc/54/53/98/1083545398.db2.gz XYWUKAHBRJBPKN-WMZHIEFXSA-N 2 2 370.512 4.314 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000535685267 1083576481 /nfs/dbraw/zinc/57/64/81/1083576481.db2.gz GFQSEWSGYVVSPY-IBGZPJMESA-N 2 2 350.934 4.196 20 0 FIADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000535808027 1083696329 /nfs/dbraw/zinc/69/63/29/1083696329.db2.gz MQSWCDIMHCFBOU-GCJKJVERSA-N 2 2 350.506 4.297 20 0 FIADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000535808027 1083696336 /nfs/dbraw/zinc/69/63/36/1083696336.db2.gz MQSWCDIMHCFBOU-GCJKJVERSA-N 2 2 350.506 4.297 20 0 FIADLP COc1ccc2ccccc2c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000535808027 1083696341 /nfs/dbraw/zinc/69/63/41/1083696341.db2.gz MQSWCDIMHCFBOU-GCJKJVERSA-N 2 2 350.506 4.297 20 0 FIADLP COc1ccc2ccccc2c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000535808027 1083696347 /nfs/dbraw/zinc/69/63/47/1083696347.db2.gz MQSWCDIMHCFBOU-GCJKJVERSA-N 2 2 350.506 4.297 20 0 FIADLP c1sc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1-c1ccccc1 ZINC000535810587 1083697443 /nfs/dbraw/zinc/69/74/43/1083697443.db2.gz RWZHNCHKTBMCCB-PXNSSMCTSA-N 2 2 353.535 4.259 20 0 FIADLP c1sc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1-c1ccccc1 ZINC000535810587 1083697450 /nfs/dbraw/zinc/69/74/50/1083697450.db2.gz RWZHNCHKTBMCCB-PXNSSMCTSA-N 2 2 353.535 4.259 20 0 FIADLP c1sc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1-c1ccccc1 ZINC000535810587 1083697454 /nfs/dbraw/zinc/69/74/54/1083697454.db2.gz RWZHNCHKTBMCCB-PXNSSMCTSA-N 2 2 353.535 4.259 20 0 FIADLP c1sc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1-c1ccccc1 ZINC000535810587 1083697457 /nfs/dbraw/zinc/69/74/57/1083697457.db2.gz RWZHNCHKTBMCCB-PXNSSMCTSA-N 2 2 353.535 4.259 20 0 FIADLP COc1cc2c(cc1C[NH2+]C1CC[NH+](CC3CCCCC3)CC1)O[C@H](C)C2 ZINC000065981977 1083915229 /nfs/dbraw/zinc/91/52/29/1083915229.db2.gz XPBNHUXXJWBODN-QGZVFWFLSA-N 2 2 372.553 4.153 20 0 FIADLP C[C@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000548509182 1083946894 /nfs/dbraw/zinc/94/68/94/1083946894.db2.gz LZJOEBMKAIBROC-GFCCVEGCSA-N 2 2 357.458 4.008 20 0 FIADLP CCn1nc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c2ccccc21 ZINC000472039309 1084141748 /nfs/dbraw/zinc/14/17/48/1084141748.db2.gz WMRVZUZROSZVGO-KKSFZXQISA-N 2 2 368.550 4.290 20 0 FIADLP CCn1nc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c2ccccc21 ZINC000472039309 1084141762 /nfs/dbraw/zinc/14/17/62/1084141762.db2.gz WMRVZUZROSZVGO-KKSFZXQISA-N 2 2 368.550 4.290 20 0 FIADLP Fc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1OC(F)F ZINC000657285590 1084232713 /nfs/dbraw/zinc/23/27/13/1084232713.db2.gz KCJOKLVFUHUWBA-UHFFFAOYSA-N 2 2 364.411 4.181 20 0 FIADLP CCn1c2ccccc2nc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000685850862 1084385582 /nfs/dbraw/zinc/38/55/82/1084385582.db2.gz KCEYPLPOQNKTLG-LEWJYISDSA-N 2 2 374.532 4.010 20 0 FIADLP CCn1c2ccccc2nc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000685850862 1084385594 /nfs/dbraw/zinc/38/55/94/1084385594.db2.gz KCEYPLPOQNKTLG-LEWJYISDSA-N 2 2 374.532 4.010 20 0 FIADLP CCn1c2ccccc2nc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000685850862 1084385608 /nfs/dbraw/zinc/38/56/08/1084385608.db2.gz KCEYPLPOQNKTLG-LEWJYISDSA-N 2 2 374.532 4.010 20 0 FIADLP CCn1c2ccccc2nc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000685850862 1084385619 /nfs/dbraw/zinc/38/56/19/1084385619.db2.gz KCEYPLPOQNKTLG-LEWJYISDSA-N 2 2 374.532 4.010 20 0 FIADLP CC(C)n1ccnc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000657312268 1084440969 /nfs/dbraw/zinc/44/09/69/1084440969.db2.gz DVXYVTVATNJWIH-OALUTQOASA-N 2 2 354.542 4.232 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)[C@@H]1CC1(C)C ZINC000414143282 1084687743 /nfs/dbraw/zinc/68/77/43/1084687743.db2.gz IQESQNYGSMERGJ-SFTDATJTSA-N 2 2 357.542 4.024 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414166178 1084725898 /nfs/dbraw/zinc/72/58/98/1084725898.db2.gz DOGCFYIWBIQAFS-YDGZCJQPSA-N 2 2 373.903 4.230 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414166178 1084725905 /nfs/dbraw/zinc/72/59/05/1084725905.db2.gz DOGCFYIWBIQAFS-YDGZCJQPSA-N 2 2 373.903 4.230 20 0 FIADLP Cc1ncsc1C[N@H+](Cc1cccc(OCC(C)C)c1)C[C@H]1CC[NH2+]C1 ZINC000582301851 1084845818 /nfs/dbraw/zinc/84/58/18/1084845818.db2.gz XVNKYTIYOKRYKN-IBGZPJMESA-N 2 2 373.566 4.098 20 0 FIADLP Cc1ncsc1C[N@@H+](Cc1cccc(OCC(C)C)c1)C[C@H]1CC[NH2+]C1 ZINC000582301851 1084845824 /nfs/dbraw/zinc/84/58/24/1084845824.db2.gz XVNKYTIYOKRYKN-IBGZPJMESA-N 2 2 373.566 4.098 20 0 FIADLP C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261775707 1084881438 /nfs/dbraw/zinc/88/14/38/1084881438.db2.gz XIWXPXOLAOSFJW-VWYCJHECSA-N 2 2 354.338 4.454 20 0 FIADLP C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261775707 1084881448 /nfs/dbraw/zinc/88/14/48/1084881448.db2.gz XIWXPXOLAOSFJW-VWYCJHECSA-N 2 2 354.338 4.454 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657412598 1084951084 /nfs/dbraw/zinc/95/10/84/1084951084.db2.gz NNDNHUXKYPTYJQ-HNNXBMFYSA-N 2 2 352.507 4.007 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2c3ccc(F)cc3O[C@H]2C)cc1 ZINC000582505180 1085079792 /nfs/dbraw/zinc/07/97/92/1085079792.db2.gz SWDCNLLTQHGZJN-RXSFTSLZSA-N 2 2 351.425 4.493 20 0 FIADLP Fc1ccc2c(c1Cl)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000651669488 1085317402 /nfs/dbraw/zinc/31/74/02/1085317402.db2.gz XGZUKGLPZARORN-IBGZPJMESA-N 2 2 374.887 4.088 20 0 FIADLP Fc1cccc(Cl)c1COc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000078505790 1085794090 /nfs/dbraw/zinc/79/40/90/1085794090.db2.gz JVXNDLUNVHIKAN-UHFFFAOYSA-N 2 2 359.832 4.044 20 0 FIADLP Fc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(Cl)c1Cl ZINC000432236284 1085893347 /nfs/dbraw/zinc/89/33/47/1085893347.db2.gz SGKIPEFVNDKHLU-UHFFFAOYSA-N 2 2 354.256 4.286 20 0 FIADLP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccccc1Cl ZINC000582927144 1085929901 /nfs/dbraw/zinc/92/99/01/1085929901.db2.gz STEYOLCBUXAFST-WOUAJJJCSA-N 2 2 351.966 4.041 20 0 FIADLP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1Cl ZINC000582927144 1085929905 /nfs/dbraw/zinc/92/99/05/1085929905.db2.gz STEYOLCBUXAFST-WOUAJJJCSA-N 2 2 351.966 4.041 20 0 FIADLP Cc1[nH+]c(N)ccc1CNc1cc(C(F)(F)F)c2c([nH+]1)CCCCC2 ZINC001167785807 1085996869 /nfs/dbraw/zinc/99/68/69/1085996869.db2.gz AGZPCGDWSSDXFD-UHFFFAOYSA-N 2 2 350.388 4.267 20 0 FIADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2Cl)cc1 ZINC000582994560 1086003887 /nfs/dbraw/zinc/00/38/87/1086003887.db2.gz HKRFBRPMABPFKR-FOIQADDNSA-N 2 2 355.844 4.439 20 0 FIADLP CCc1onc(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167646879 1086015976 /nfs/dbraw/zinc/01/59/76/1086015976.db2.gz IHDYXPFOLSBFNN-PZJWPPBQSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1onc(C)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167646879 1086015987 /nfs/dbraw/zinc/01/59/87/1086015987.db2.gz IHDYXPFOLSBFNN-PZJWPPBQSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1onc(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001167646879 1086015998 /nfs/dbraw/zinc/01/59/98/1086015998.db2.gz IHDYXPFOLSBFNN-PZJWPPBQSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1onc(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001167646879 1086016006 /nfs/dbraw/zinc/01/60/06/1086016006.db2.gz IHDYXPFOLSBFNN-PZJWPPBQSA-N 2 2 353.510 4.032 20 0 FIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2scnc2C)cc1 ZINC000583052181 1086097441 /nfs/dbraw/zinc/09/74/41/1086097441.db2.gz XDRYHKBPEXNUAB-UHFFFAOYSA-N 2 2 370.522 4.139 20 0 FIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2scnc2C)cc1 ZINC000583052181 1086097444 /nfs/dbraw/zinc/09/74/44/1086097444.db2.gz XDRYHKBPEXNUAB-UHFFFAOYSA-N 2 2 370.522 4.139 20 0 FIADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1c2ccccc2n(C(F)F)c1=S ZINC000162841554 1086326701 /nfs/dbraw/zinc/32/67/01/1086326701.db2.gz KJAKPDONXNUUPX-UHFFFAOYSA-N 2 2 365.453 4.052 20 0 FIADLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1c2ccccc2n(C(F)F)c1=S ZINC000162841554 1086326720 /nfs/dbraw/zinc/32/67/20/1086326720.db2.gz KJAKPDONXNUUPX-UHFFFAOYSA-N 2 2 365.453 4.052 20 0 FIADLP C[C@@H]1[N@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)CCOC1(C)C ZINC001167658500 1086378527 /nfs/dbraw/zinc/37/85/27/1086378527.db2.gz IRCLDYZTTOHDDF-REWPJTCUSA-N 2 2 366.549 4.402 20 0 FIADLP C[C@@H]1[N@@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)CCOC1(C)C ZINC001167658500 1086378538 /nfs/dbraw/zinc/37/85/38/1086378538.db2.gz IRCLDYZTTOHDDF-REWPJTCUSA-N 2 2 366.549 4.402 20 0 FIADLP C[C@@H]1[NH+](C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CCOC1(C)C ZINC001167658500 1086378551 /nfs/dbraw/zinc/37/85/51/1086378551.db2.gz IRCLDYZTTOHDDF-REWPJTCUSA-N 2 2 366.549 4.402 20 0 FIADLP C[C@@H]1[NH+](C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CCOC1(C)C ZINC001167658500 1086378563 /nfs/dbraw/zinc/37/85/63/1086378563.db2.gz IRCLDYZTTOHDDF-REWPJTCUSA-N 2 2 366.549 4.402 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cc2n(n1)CCCC2 ZINC000647282988 1086498630 /nfs/dbraw/zinc/49/86/30/1086498630.db2.gz CSJKODCBQNBEQM-OALUTQOASA-N 2 2 366.553 4.445 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cc2n(n1)CCCC2 ZINC000647282988 1086498633 /nfs/dbraw/zinc/49/86/33/1086498633.db2.gz CSJKODCBQNBEQM-OALUTQOASA-N 2 2 366.553 4.445 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc2ccccc2c1OC(F)F ZINC000925777012 1086571521 /nfs/dbraw/zinc/57/15/21/1086571521.db2.gz BSHYVCBOXKLSTP-GXTWGEPZSA-N 2 2 370.390 4.337 20 0 FIADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)C1 ZINC000236807733 1086617290 /nfs/dbraw/zinc/61/72/90/1086617290.db2.gz LGLIVYODYQEYIB-IBGZPJMESA-N 2 2 374.960 4.023 20 0 FIADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)C1 ZINC000236807733 1086617297 /nfs/dbraw/zinc/61/72/97/1086617297.db2.gz LGLIVYODYQEYIB-IBGZPJMESA-N 2 2 374.960 4.023 20 0 FIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000585750080 1086686312 /nfs/dbraw/zinc/68/63/12/1086686312.db2.gz FUBJNOCCPVFMNC-GMAHTHKFSA-N 2 2 361.489 4.472 20 0 FIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000585750080 1086686314 /nfs/dbraw/zinc/68/63/14/1086686314.db2.gz FUBJNOCCPVFMNC-GMAHTHKFSA-N 2 2 361.489 4.472 20 0 FIADLP Cn1c2ccc(NCc3ncc(C[NH+](C)C)s3)cc2[nH+]c1C(C)(C)C ZINC000512056922 1086717663 /nfs/dbraw/zinc/71/76/63/1086717663.db2.gz IHYHQLRGQSJOAF-UHFFFAOYSA-N 2 2 357.527 4.001 20 0 FIADLP COc1ccc([C@@H]([NH2+]CCC[NH+]2CCCCC2)c2ccc(F)cc2)cc1 ZINC001167844091 1086763674 /nfs/dbraw/zinc/76/36/74/1086763674.db2.gz ONFQREISNRZKDJ-QFIPXVFZSA-N 2 2 356.485 4.389 20 0 FIADLP COc1ccc([C@H]([NH2+]CCC[NH+]2CCCCC2)c2ccc(F)cc2)cc1 ZINC001167844090 1086764221 /nfs/dbraw/zinc/76/42/21/1086764221.db2.gz ONFQREISNRZKDJ-JOCHJYFZSA-N 2 2 356.485 4.389 20 0 FIADLP CCc1nc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cs1 ZINC000657771736 1086801914 /nfs/dbraw/zinc/80/19/14/1086801914.db2.gz NKAUQILSFCQVIZ-GOSISDBHSA-N 2 2 355.551 4.097 20 0 FIADLP CCc1nc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cs1 ZINC000657771736 1086801924 /nfs/dbraw/zinc/80/19/24/1086801924.db2.gz NKAUQILSFCQVIZ-GOSISDBHSA-N 2 2 355.551 4.097 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647304212 1086921067 /nfs/dbraw/zinc/92/10/67/1086921067.db2.gz ADKWEWHBDNMPKN-PZJWPPBQSA-N 2 2 366.553 4.172 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647304212 1086921069 /nfs/dbraw/zinc/92/10/69/1086921069.db2.gz ADKWEWHBDNMPKN-PZJWPPBQSA-N 2 2 366.553 4.172 20 0 FIADLP CCc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CCC2 ZINC000151334436 1087089811 /nfs/dbraw/zinc/08/98/11/1087089811.db2.gz FNLHWOIQGDNLTD-KRWDZBQOSA-N 2 2 352.507 4.118 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Cl)c1Cl ZINC000132802775 1087104202 /nfs/dbraw/zinc/10/42/02/1087104202.db2.gz BQUMRLLEJDDTJA-KBPBESRZSA-N 2 2 357.325 4.145 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071742 1087437532 /nfs/dbraw/zinc/43/75/32/1087437532.db2.gz TWIZFNCEYJZKQL-MRXNPFEDSA-N 2 2 369.900 4.245 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071742 1087437534 /nfs/dbraw/zinc/43/75/34/1087437534.db2.gz TWIZFNCEYJZKQL-MRXNPFEDSA-N 2 2 369.900 4.245 20 0 FIADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C(C)(C)C(F)F ZINC000657888427 1087545923 /nfs/dbraw/zinc/54/59/23/1087545923.db2.gz LYMIWDZEPHFVOE-JKSUJKDBSA-N 2 2 354.485 4.156 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCCC2(CCC[N@@H+]([C@H](C)c3ccncc3)C2)C1 ZINC000685593151 1087635747 /nfs/dbraw/zinc/63/57/47/1087635747.db2.gz DEAUSTXPWYXBAA-VJOPYQGCSA-N 2 2 364.537 4.477 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCCC2(CCC[N@H+]([C@H](C)c3ccncc3)C2)C1 ZINC000685593151 1087635748 /nfs/dbraw/zinc/63/57/48/1087635748.db2.gz DEAUSTXPWYXBAA-VJOPYQGCSA-N 2 2 364.537 4.477 20 0 FIADLP Fc1cccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2cccc(Cl)c2)c1 ZINC000685662279 1087668486 /nfs/dbraw/zinc/66/84/86/1087668486.db2.gz GDFWQCHTBSJNSN-YLJYHZDGSA-N 2 2 355.844 4.439 20 0 FIADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2cccnc2N2CCCC2)CC1 ZINC000658108409 1087724064 /nfs/dbraw/zinc/72/40/64/1087724064.db2.gz ZKIXIRXBBOTKFW-UHFFFAOYSA-N 2 2 372.601 4.451 20 0 FIADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1O ZINC000414839446 1088440809 /nfs/dbraw/zinc/44/08/09/1088440809.db2.gz WJUQNEPKDCWMHX-OXQOHEQNSA-N 2 2 356.510 4.135 20 0 FIADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414843645 1088502393 /nfs/dbraw/zinc/50/23/93/1088502393.db2.gz JWXRMOFSRPIJGA-UWJYYQICSA-N 2 2 367.537 4.379 20 0 FIADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000514086006 1088727222 /nfs/dbraw/zinc/72/72/22/1088727222.db2.gz YGTAXMRBPNRJGQ-INIZCTEOSA-N 2 2 355.432 4.321 20 0 FIADLP Brc1cccc2c1CC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000180563616 1088782302 /nfs/dbraw/zinc/78/23/02/1088782302.db2.gz JPTHDIHTIQLTQJ-SFHVURJKSA-N 2 2 372.310 4.090 20 0 FIADLP CCCCc1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cs1 ZINC000434690794 1088948832 /nfs/dbraw/zinc/94/88/32/1088948832.db2.gz KEHUUEPXXLXCII-UHFFFAOYSA-N 2 2 358.555 4.398 20 0 FIADLP CC[C@@H](c1ccc(F)cc1F)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434736775 1089019099 /nfs/dbraw/zinc/01/90/99/1089019099.db2.gz HPFUQYQSSRKFBJ-NDXORKPFSA-N 2 2 359.464 4.436 20 0 FIADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434736775 1089019110 /nfs/dbraw/zinc/01/91/10/1089019110.db2.gz HPFUQYQSSRKFBJ-NDXORKPFSA-N 2 2 359.464 4.436 20 0 FIADLP CC[C@@H](c1ccc(F)cc1F)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434736775 1089019128 /nfs/dbraw/zinc/01/91/28/1089019128.db2.gz HPFUQYQSSRKFBJ-NDXORKPFSA-N 2 2 359.464 4.436 20 0 FIADLP CC[C@@H](c1ccc(F)cc1F)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434736775 1089019145 /nfs/dbraw/zinc/01/91/45/1089019145.db2.gz HPFUQYQSSRKFBJ-NDXORKPFSA-N 2 2 359.464 4.436 20 0 FIADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CCc2c1cccc2Cl ZINC000434735652 1089020029 /nfs/dbraw/zinc/02/00/29/1089020029.db2.gz DFCFQTLQKOOXCR-NDXORKPFSA-N 2 2 355.913 4.347 20 0 FIADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CCc2c1cccc2Cl ZINC000434735652 1089020041 /nfs/dbraw/zinc/02/00/41/1089020041.db2.gz DFCFQTLQKOOXCR-NDXORKPFSA-N 2 2 355.913 4.347 20 0 FIADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@H]1CCc2c1cccc2Cl ZINC000434735652 1089020058 /nfs/dbraw/zinc/02/00/58/1089020058.db2.gz DFCFQTLQKOOXCR-NDXORKPFSA-N 2 2 355.913 4.347 20 0 FIADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@H]1CCc2c1cccc2Cl ZINC000434735652 1089020072 /nfs/dbraw/zinc/02/00/72/1089020072.db2.gz DFCFQTLQKOOXCR-NDXORKPFSA-N 2 2 355.913 4.347 20 0 FIADLP Clc1ccc(Cl)c(-c2csc(C[NH2+]CCC[NH2+]C3CC3)n2)c1 ZINC000415071660 1089132498 /nfs/dbraw/zinc/13/24/98/1089132498.db2.gz UBSQFVIURKDHGO-UHFFFAOYSA-N 2 2 356.322 4.349 20 0 FIADLP Fc1c(Br)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167959411 1089771319 /nfs/dbraw/zinc/77/13/19/1089771319.db2.gz OTRCBTXUOBPBNB-MQVJKMGUSA-N 2 2 367.306 4.083 20 0 FIADLP Fc1c(Br)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959411 1089771332 /nfs/dbraw/zinc/77/13/32/1089771332.db2.gz OTRCBTXUOBPBNB-MQVJKMGUSA-N 2 2 367.306 4.083 20 0 FIADLP C[N@@H+]1CC[C@H]2CC[NH+](CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@H]2C1 ZINC000549402544 1090233027 /nfs/dbraw/zinc/23/30/27/1090233027.db2.gz DDPJXODTPNFWID-AVRDEDQJSA-N 2 2 356.460 4.123 20 0 FIADLP C[N@H+]1CC[C@H]2CC[NH+](CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@H]2C1 ZINC000549402544 1090233030 /nfs/dbraw/zinc/23/30/30/1090233030.db2.gz DDPJXODTPNFWID-AVRDEDQJSA-N 2 2 356.460 4.123 20 0 FIADLP C[NH+]1CC[C@H]2CC[N@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@H]2C1 ZINC000549402544 1090233037 /nfs/dbraw/zinc/23/30/37/1090233037.db2.gz DDPJXODTPNFWID-AVRDEDQJSA-N 2 2 356.460 4.123 20 0 FIADLP C[NH+]1CC[C@H]2CC[N@@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@H]2C1 ZINC000549402544 1090233042 /nfs/dbraw/zinc/23/30/42/1090233042.db2.gz DDPJXODTPNFWID-AVRDEDQJSA-N 2 2 356.460 4.123 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000659993732 1090377919 /nfs/dbraw/zinc/37/79/19/1090377919.db2.gz RAMIJKXAMZFEMM-WIYYLYMNSA-N 2 2 360.505 4.115 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000659993732 1090377928 /nfs/dbraw/zinc/37/79/28/1090377928.db2.gz RAMIJKXAMZFEMM-WIYYLYMNSA-N 2 2 360.505 4.115 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc3ccccc3n2)CC[NH+]1Cc1ccccc1 ZINC000659993732 1090377937 /nfs/dbraw/zinc/37/79/37/1090377937.db2.gz RAMIJKXAMZFEMM-WIYYLYMNSA-N 2 2 360.505 4.115 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc3ccccc3n2)CC[NH+]1Cc1ccccc1 ZINC000659993732 1090377948 /nfs/dbraw/zinc/37/79/48/1090377948.db2.gz RAMIJKXAMZFEMM-WIYYLYMNSA-N 2 2 360.505 4.115 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000659993726 1090378074 /nfs/dbraw/zinc/37/80/74/1090378074.db2.gz RAMIJKXAMZFEMM-GHTZIAJQSA-N 2 2 360.505 4.115 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000659993726 1090378077 /nfs/dbraw/zinc/37/80/77/1090378077.db2.gz RAMIJKXAMZFEMM-GHTZIAJQSA-N 2 2 360.505 4.115 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc3ccccc3n2)CC[NH+]1Cc1ccccc1 ZINC000659993726 1090378085 /nfs/dbraw/zinc/37/80/85/1090378085.db2.gz RAMIJKXAMZFEMM-GHTZIAJQSA-N 2 2 360.505 4.115 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc3ccccc3n2)CC[NH+]1Cc1ccccc1 ZINC000659993726 1090378091 /nfs/dbraw/zinc/37/80/91/1090378091.db2.gz RAMIJKXAMZFEMM-GHTZIAJQSA-N 2 2 360.505 4.115 20 0 FIADLP CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000545456774 1090382210 /nfs/dbraw/zinc/38/22/10/1090382210.db2.gz VECRCXMEBXUVMR-FOIQADDNSA-N 2 2 359.901 4.070 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000925589865 1090769128 /nfs/dbraw/zinc/76/91/28/1090769128.db2.gz CBXIXCDNVDSIJE-HTAPYJJXSA-N 2 2 350.510 4.133 20 0 FIADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314934 1090807619 /nfs/dbraw/zinc/80/76/19/1090807619.db2.gz BNASAUOFPHWKIP-ZYSHUDEJSA-N 2 2 370.566 4.278 20 0 FIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323169 1090814128 /nfs/dbraw/zinc/81/41/28/1090814128.db2.gz OBOYMICJOOYNOA-YTQUADARSA-N 2 2 351.519 4.317 20 0 FIADLP Fc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1OC(F)F ZINC000660246035 1090937676 /nfs/dbraw/zinc/93/76/76/1090937676.db2.gz XTGNZXNEOCEABI-UHFFFAOYSA-N 2 2 367.415 4.316 20 0 FIADLP COC1(C(F)(F)F)CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000418098915 1091061051 /nfs/dbraw/zinc/06/10/51/1091061051.db2.gz ZEIAERGUOIUTKC-UHFFFAOYSA-N 2 2 372.475 4.188 20 0 FIADLP COC1(C(F)(F)F)CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000418098915 1091061060 /nfs/dbraw/zinc/06/10/60/1091061060.db2.gz ZEIAERGUOIUTKC-UHFFFAOYSA-N 2 2 372.475 4.188 20 0 FIADLP Cc1cc(Cl)ccc1OCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001648927109 1091113033 /nfs/dbraw/zinc/11/30/33/1091113033.db2.gz IRBYZHRXGJSDTM-UHFFFAOYSA-N 2 2 355.869 4.393 20 0 FIADLP C[C@H](c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1)C(F)(F)F ZINC000660474364 1091592603 /nfs/dbraw/zinc/59/26/03/1091592603.db2.gz IDDUSTUFLFTNHK-APWZRJJASA-N 2 2 370.459 4.039 20 0 FIADLP C[C@H](c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1)C(F)(F)F ZINC000660474364 1091592609 /nfs/dbraw/zinc/59/26/09/1091592609.db2.gz IDDUSTUFLFTNHK-APWZRJJASA-N 2 2 370.459 4.039 20 0 FIADLP Clc1scc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1Cl ZINC000432729291 1092198198 /nfs/dbraw/zinc/19/81/98/1092198198.db2.gz PSFJMGNJRNNBNV-UHFFFAOYSA-N 2 2 363.354 4.132 20 0 FIADLP Cc1nn(C(C)C)cc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000467434793 1092234964 /nfs/dbraw/zinc/23/49/64/1092234964.db2.gz FOOQXPFNLGDBJC-GCJKJVERSA-N 2 2 354.542 4.257 20 0 FIADLP Cc1nn(C(C)C)cc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000467434793 1092234977 /nfs/dbraw/zinc/23/49/77/1092234977.db2.gz FOOQXPFNLGDBJC-GCJKJVERSA-N 2 2 354.542 4.257 20 0 FIADLP Cc1nn(C(C)C)cc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000467434793 1092234989 /nfs/dbraw/zinc/23/49/89/1092234989.db2.gz FOOQXPFNLGDBJC-GCJKJVERSA-N 2 2 354.542 4.257 20 0 FIADLP Cc1nn(C(C)C)cc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000467434793 1092234998 /nfs/dbraw/zinc/23/49/98/1092234998.db2.gz FOOQXPFNLGDBJC-GCJKJVERSA-N 2 2 354.542 4.257 20 0 FIADLP CCC[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccccn1 ZINC000500625220 1092296146 /nfs/dbraw/zinc/29/61/46/1092296146.db2.gz RMRCKUIODAJWLD-JOCHJYFZSA-N 2 2 366.553 4.033 20 0 FIADLP Cc1ccc(-c2ccc(C[NH2+]C3CC[NH+](CCOC(C)C)CC3)o2)cc1 ZINC000236808676 1092424593 /nfs/dbraw/zinc/42/45/93/1092424593.db2.gz DMMYQAVDLKVLOW-UHFFFAOYSA-N 2 2 356.510 4.234 20 0 FIADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000521016650 1092424930 /nfs/dbraw/zinc/42/49/30/1092424930.db2.gz QGBCDIFIFFXLHY-MJGOQNOKSA-N 2 2 371.500 4.182 20 0 FIADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000521016650 1092424939 /nfs/dbraw/zinc/42/49/39/1092424939.db2.gz QGBCDIFIFFXLHY-MJGOQNOKSA-N 2 2 371.500 4.182 20 0 FIADLP Cc1cc(-c2noc([C@H](C)[N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)n2)ccc1F ZINC000245572088 1092666044 /nfs/dbraw/zinc/66/60/44/1092666044.db2.gz GWBBYACWVZJDHF-YEWWUXTCSA-N 2 2 369.444 4.025 20 0 FIADLP Cc1cc(-c2noc([C@H](C)[N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)n2)ccc1F ZINC000245572088 1092666053 /nfs/dbraw/zinc/66/60/53/1092666053.db2.gz GWBBYACWVZJDHF-YEWWUXTCSA-N 2 2 369.444 4.025 20 0 FIADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000442876477 1092832330 /nfs/dbraw/zinc/83/23/30/1092832330.db2.gz REUSBCPRVRQILU-UXHICEINSA-N 2 2 358.574 4.082 20 0 FIADLP Clc1ccc(OCCCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000521827638 1092931486 /nfs/dbraw/zinc/93/14/86/1092931486.db2.gz QSVLOLQXRCGPNO-UHFFFAOYSA-N 2 2 355.869 4.475 20 0 FIADLP Fc1ccccc1COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000521816961 1092936038 /nfs/dbraw/zinc/93/60/38/1092936038.db2.gz OZBIDWJWLZENKI-YADHBBJMSA-N 2 2 354.469 4.121 20 0 FIADLP Fc1ccccc1COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000521816961 1092936041 /nfs/dbraw/zinc/93/60/41/1092936041.db2.gz OZBIDWJWLZENKI-YADHBBJMSA-N 2 2 354.469 4.121 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000152097754 1092977999 /nfs/dbraw/zinc/97/79/99/1092977999.db2.gz PIQMMESLQTXXAD-INIZCTEOSA-N 2 2 374.488 4.012 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000191518735 1093437374 /nfs/dbraw/zinc/43/73/74/1093437374.db2.gz DBKPQFVKWGBSHO-UHFFFAOYSA-N 2 2 356.445 4.152 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000191518735 1093437378 /nfs/dbraw/zinc/43/73/78/1093437378.db2.gz DBKPQFVKWGBSHO-UHFFFAOYSA-N 2 2 356.445 4.152 20 0 FIADLP C[C@@H]1CC([NH2+]C2CC[NH+](C3CCCC3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168027995 1093528664 /nfs/dbraw/zinc/52/86/64/1093528664.db2.gz NWQLTFDDGDCBFH-WOJBJXKFSA-N 3 2 369.597 4.425 20 0 FIADLP CC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(OC)c(OC)c1 ZINC000512909071 1093546543 /nfs/dbraw/zinc/54/65/43/1093546543.db2.gz RCKAXLCTKSOKLN-KRWDZBQOSA-N 2 2 357.479 4.192 20 0 FIADLP Cc1cc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc(C2CC2)[nH+]1 ZINC000474180197 1093556051 /nfs/dbraw/zinc/55/60/51/1093556051.db2.gz CRTIWNQVBGYCBJ-HSZRJFAPSA-N 2 2 362.521 4.155 20 0 FIADLP Cc1cc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc(C2CC2)[nH+]1 ZINC000474180197 1093556054 /nfs/dbraw/zinc/55/60/54/1093556054.db2.gz CRTIWNQVBGYCBJ-HSZRJFAPSA-N 2 2 362.521 4.155 20 0 FIADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000114478144 1093590937 /nfs/dbraw/zinc/59/09/37/1093590937.db2.gz HWZTUPBFQBYZPB-CQSZACIVSA-N 2 2 374.941 4.100 20 0 FIADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000114478144 1093590942 /nfs/dbraw/zinc/59/09/42/1093590942.db2.gz HWZTUPBFQBYZPB-CQSZACIVSA-N 2 2 374.941 4.100 20 0 FIADLP C[N@H+](Cc1cc(-c2ccccc2)no1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480599 1093590991 /nfs/dbraw/zinc/59/09/91/1093590991.db2.gz HLORAYHOASMRBS-UHFFFAOYSA-N 2 2 361.489 4.438 20 0 FIADLP C[N@@H+](Cc1cc(-c2ccccc2)no1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480599 1093590999 /nfs/dbraw/zinc/59/09/99/1093590999.db2.gz HLORAYHOASMRBS-UHFFFAOYSA-N 2 2 361.489 4.438 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2c(F)ccc(O)c2F)cc1 ZINC000509896642 1093693241 /nfs/dbraw/zinc/69/32/41/1093693241.db2.gz DLFYOUVTLBAANP-OAHLLOKOSA-N 2 2 360.448 4.335 20 0 FIADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2c(F)ccc(O)c2F)cc1 ZINC000509896642 1093693247 /nfs/dbraw/zinc/69/32/47/1093693247.db2.gz DLFYOUVTLBAANP-OAHLLOKOSA-N 2 2 360.448 4.335 20 0 FIADLP Brc1cscc1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000512128662 1093742024 /nfs/dbraw/zinc/74/20/24/1093742024.db2.gz HJDRCLINEOORQW-UHFFFAOYSA-N 2 2 362.296 4.045 20 0 FIADLP CCOc1cccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168034643 1093750694 /nfs/dbraw/zinc/75/06/94/1093750694.db2.gz QZOMYTSYSQLASW-ROUUACIJSA-N 2 2 353.510 4.012 20 0 FIADLP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccco1 ZINC000513078918 1093780736 /nfs/dbraw/zinc/78/07/36/1093780736.db2.gz XNNNSPANOYARGD-CEMLEFRQSA-N 2 2 369.553 4.305 20 0 FIADLP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccco1 ZINC000513078918 1093780745 /nfs/dbraw/zinc/78/07/45/1093780745.db2.gz XNNNSPANOYARGD-CEMLEFRQSA-N 2 2 369.553 4.305 20 0 FIADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000246487844 1093816840 /nfs/dbraw/zinc/81/68/40/1093816840.db2.gz JWCZCGLTRTXXPI-RZUBCFFCSA-N 2 2 354.469 4.140 20 0 FIADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000246487844 1093816843 /nfs/dbraw/zinc/81/68/43/1093816843.db2.gz JWCZCGLTRTXXPI-RZUBCFFCSA-N 2 2 354.469 4.140 20 0 FIADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)o1 ZINC000576465735 1093877629 /nfs/dbraw/zinc/87/76/29/1093877629.db2.gz KQUDCNAYSAIXKT-LJQANCHMSA-N 2 2 353.510 4.222 20 0 FIADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)o1 ZINC000576465735 1093877637 /nfs/dbraw/zinc/87/76/37/1093877637.db2.gz KQUDCNAYSAIXKT-LJQANCHMSA-N 2 2 353.510 4.222 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)CC1 ZINC000513204360 1094006267 /nfs/dbraw/zinc/00/62/67/1094006267.db2.gz RBVIIHDWCSGZDT-UHFFFAOYSA-N 2 2 357.473 4.366 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000513350413 1094073842 /nfs/dbraw/zinc/07/38/42/1094073842.db2.gz HSWGNYLHCNHDKB-JFJDKTSWSA-N 3 2 369.597 4.282 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000513350413 1094073846 /nfs/dbraw/zinc/07/38/46/1094073846.db2.gz HSWGNYLHCNHDKB-JFJDKTSWSA-N 3 2 369.597 4.282 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000513350413 1094073855 /nfs/dbraw/zinc/07/38/55/1094073855.db2.gz HSWGNYLHCNHDKB-JFJDKTSWSA-N 3 2 369.597 4.282 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000513350413 1094073862 /nfs/dbraw/zinc/07/38/62/1094073862.db2.gz HSWGNYLHCNHDKB-JFJDKTSWSA-N 3 2 369.597 4.282 20 0 FIADLP C[C@@H]1CC([N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039657 1094449892 /nfs/dbraw/zinc/44/98/92/1094449892.db2.gz GVPCFRBIYXKXFT-YHBROIRLSA-N 2 2 354.538 4.262 20 0 FIADLP C[C@@H]1CC([N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039657 1094449899 /nfs/dbraw/zinc/44/98/99/1094449899.db2.gz GVPCFRBIYXKXFT-YHBROIRLSA-N 2 2 354.538 4.262 20 0 FIADLP Cc1cc[nH+]c(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000474787655 1094622710 /nfs/dbraw/zinc/62/27/10/1094622710.db2.gz MVMVVEOOAXWCEQ-UHFFFAOYSA-N 2 2 360.299 4.229 20 0 FIADLP C[C@H]1CC([N@H+](C)Cc2cnc3ccccn23)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041791 1094622838 /nfs/dbraw/zinc/62/28/38/1094622838.db2.gz VMESGEQSWUTXHF-OALUTQOASA-N 2 2 362.521 4.208 20 0 FIADLP C[C@H]1CC([N@@H+](C)Cc2cnc3ccccn23)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041791 1094622858 /nfs/dbraw/zinc/62/28/58/1094622858.db2.gz VMESGEQSWUTXHF-OALUTQOASA-N 2 2 362.521 4.208 20 0 FIADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000474789069 1094624940 /nfs/dbraw/zinc/62/49/40/1094624940.db2.gz BYAGKAVFIWQSHP-QGZVFWFLSA-N 2 2 368.525 4.119 20 0 FIADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000474789069 1094624947 /nfs/dbraw/zinc/62/49/47/1094624947.db2.gz BYAGKAVFIWQSHP-QGZVFWFLSA-N 2 2 368.525 4.119 20 0 FIADLP C[N@H+](Cc1c(-c2ccc(Cl)cc2)nc2sccn12)C1(C[NH3+])CCC1 ZINC000420329828 1094890422 /nfs/dbraw/zinc/89/04/22/1094890422.db2.gz PCEMZEQOHAEAKH-UHFFFAOYSA-N 2 2 360.914 4.029 20 0 FIADLP C[N@@H+](Cc1c(-c2ccc(Cl)cc2)nc2sccn12)C1(C[NH3+])CCC1 ZINC000420329828 1094890444 /nfs/dbraw/zinc/89/04/44/1094890444.db2.gz PCEMZEQOHAEAKH-UHFFFAOYSA-N 2 2 360.914 4.029 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420393509 1094910911 /nfs/dbraw/zinc/91/09/11/1094910911.db2.gz JUQSJBZYDXVINW-GHTZIAJQSA-N 2 2 371.569 4.336 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420393509 1094910918 /nfs/dbraw/zinc/91/09/18/1094910918.db2.gz JUQSJBZYDXVINW-GHTZIAJQSA-N 2 2 371.569 4.336 20 0 FIADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cc3ccccc3o2)CC1 ZINC000237101880 1094994606 /nfs/dbraw/zinc/99/46/06/1094994606.db2.gz MMLUNKOLBBNSKV-UHFFFAOYSA-N 2 2 369.896 4.128 20 0 FIADLP Fc1ccc([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CCC2)cc1 ZINC000420943044 1095205260 /nfs/dbraw/zinc/20/52/60/1095205260.db2.gz WFIGHUHXYVXHSV-HSZRJFAPSA-N 2 2 368.496 4.289 20 0 FIADLP CCc1cccc(F)c1C[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000475042538 1095317467 /nfs/dbraw/zinc/31/74/67/1095317467.db2.gz MVQFWNQUGVOENP-PGRDOPGGSA-N 2 2 372.532 4.027 20 0 FIADLP CCc1cccc(F)c1C[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000475042538 1095317482 /nfs/dbraw/zinc/31/74/82/1095317482.db2.gz MVQFWNQUGVOENP-PGRDOPGGSA-N 2 2 372.532 4.027 20 0 FIADLP CCc1cccc(F)c1C[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000475042538 1095317494 /nfs/dbraw/zinc/31/74/94/1095317494.db2.gz MVQFWNQUGVOENP-PGRDOPGGSA-N 2 2 372.532 4.027 20 0 FIADLP CCc1cccc(F)c1C[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000475042538 1095317503 /nfs/dbraw/zinc/31/75/03/1095317503.db2.gz MVQFWNQUGVOENP-PGRDOPGGSA-N 2 2 372.532 4.027 20 0 FIADLP CCOc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1OC ZINC000502322965 1095348299 /nfs/dbraw/zinc/34/82/99/1095348299.db2.gz SSVGALYRSHOAJV-GOSISDBHSA-N 2 2 369.509 4.006 20 0 FIADLP CCOc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1OC ZINC000502322965 1095348314 /nfs/dbraw/zinc/34/83/14/1095348314.db2.gz SSVGALYRSHOAJV-GOSISDBHSA-N 2 2 369.509 4.006 20 0 FIADLP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502324547 1095352641 /nfs/dbraw/zinc/35/26/41/1095352641.db2.gz DNKXVUHCIQJWDO-IBGZPJMESA-N 2 2 353.510 4.170 20 0 FIADLP CCc1cc(OC)ccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502324547 1095352659 /nfs/dbraw/zinc/35/26/59/1095352659.db2.gz DNKXVUHCIQJWDO-IBGZPJMESA-N 2 2 353.510 4.170 20 0 FIADLP FC(F)Oc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502308590 1095356317 /nfs/dbraw/zinc/35/63/17/1095356317.db2.gz HRDKDYLCNNKWEM-INIZCTEOSA-N 2 2 361.436 4.200 20 0 FIADLP FC(F)Oc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502308590 1095356329 /nfs/dbraw/zinc/35/63/29/1095356329.db2.gz HRDKDYLCNNKWEM-INIZCTEOSA-N 2 2 361.436 4.200 20 0 FIADLP Cc1ccc2cc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)ccc2n1 ZINC000502307735 1095357979 /nfs/dbraw/zinc/35/79/79/1095357979.db2.gz FSWLRVOKIVJOCW-FQEVSTJZSA-N 2 2 360.505 4.456 20 0 FIADLP Cc1ccc2cc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)ccc2n1 ZINC000502307735 1095357994 /nfs/dbraw/zinc/35/79/94/1095357994.db2.gz FSWLRVOKIVJOCW-FQEVSTJZSA-N 2 2 360.505 4.456 20 0 FIADLP FC(F)Oc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502348283 1095399524 /nfs/dbraw/zinc/39/95/24/1095399524.db2.gz ZPEIPQRAHZRJFJ-MRXNPFEDSA-N 2 2 361.436 4.200 20 0 FIADLP FC(F)Oc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502348283 1095399543 /nfs/dbraw/zinc/39/95/43/1095399543.db2.gz ZPEIPQRAHZRJFJ-MRXNPFEDSA-N 2 2 361.436 4.200 20 0 FIADLP C[C@H]([NH2+]Cc1cnc(C(F)(F)F)s1)c1cccc(-n2cc[nH+]c2)c1 ZINC000443989972 1095589766 /nfs/dbraw/zinc/58/97/66/1095589766.db2.gz PPLPESVXJZOEJE-NSHDSACASA-N 2 2 352.385 4.198 20 0 FIADLP C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)s1)c1cccc(-n2cc[nH+]c2)c1 ZINC000443989971 1095589898 /nfs/dbraw/zinc/58/98/98/1095589898.db2.gz PPLPESVXJZOEJE-LLVKDONJSA-N 2 2 352.385 4.198 20 0 FIADLP COc1cccc(OC)c1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000713801029 1095783650 /nfs/dbraw/zinc/78/36/50/1095783650.db2.gz DRJSAKXZIZKIAO-HBFSDRIKSA-N 2 2 368.521 4.408 20 0 FIADLP COc1cccc(OC)c1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000713801029 1095783662 /nfs/dbraw/zinc/78/36/62/1095783662.db2.gz DRJSAKXZIZKIAO-HBFSDRIKSA-N 2 2 368.521 4.408 20 0 FIADLP COC1([C@@H](C)[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)CCCCC1 ZINC000421837996 1095946821 /nfs/dbraw/zinc/94/68/21/1095946821.db2.gz UIFHGMHJVWOHCY-WOJBJXKFSA-N 2 2 374.569 4.214 20 0 FIADLP COC1([C@H](C)[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)CCCCC1 ZINC000421837994 1095947584 /nfs/dbraw/zinc/94/75/84/1095947584.db2.gz UIFHGMHJVWOHCY-UXHICEINSA-N 2 2 374.569 4.214 20 0 FIADLP COC1([C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCCCC1 ZINC000421863252 1095961902 /nfs/dbraw/zinc/96/19/02/1095961902.db2.gz YMDWEJIKTOKONF-OOHWJJMZSA-N 2 2 362.480 4.119 20 0 FIADLP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411316 1096389169 /nfs/dbraw/zinc/38/91/69/1096389169.db2.gz OCERRRYEBPHWJI-IBGZPJMESA-N 2 2 353.510 4.095 20 0 FIADLP Cc1cccc(C)c1OCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411316 1096389178 /nfs/dbraw/zinc/38/91/78/1096389178.db2.gz OCERRRYEBPHWJI-IBGZPJMESA-N 2 2 353.510 4.095 20 0 FIADLP c1csc(-c2cnc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)o2)c1 ZINC000503412015 1096390897 /nfs/dbraw/zinc/39/08/97/1096390897.db2.gz SNCSQWDYHOVZHY-OAHLLOKOSA-N 2 2 368.506 4.316 20 0 FIADLP c1csc(-c2cnc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)o2)c1 ZINC000503412015 1096390899 /nfs/dbraw/zinc/39/08/99/1096390899.db2.gz SNCSQWDYHOVZHY-OAHLLOKOSA-N 2 2 368.506 4.316 20 0 FIADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000422710860 1096459622 /nfs/dbraw/zinc/45/96/22/1096459622.db2.gz GGPSXIGDVIRGDC-ZJSXRUAMSA-N 3 2 374.532 4.206 20 0 FIADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)c2ccccc21 ZINC000422722843 1096471311 /nfs/dbraw/zinc/47/13/11/1096471311.db2.gz YYFWVQGNRAGPDX-YADHBBJMSA-N 2 2 363.505 4.440 20 0 FIADLP CC(C)Sc1cc(Br)ccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000503598335 1096491254 /nfs/dbraw/zinc/49/12/54/1096491254.db2.gz SPNFXCLLHHLFIA-UHFFFAOYSA-N 2 2 357.361 4.133 20 0 FIADLP COc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)ccc1OC1CCCC1 ZINC000422947761 1096536551 /nfs/dbraw/zinc/53/65/51/1096536551.db2.gz YUYAVIIHKDOSGT-VQTJNVASSA-N 2 2 352.478 4.251 20 0 FIADLP Cc1nc(-c2ccc(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)o2)cs1 ZINC000422948911 1096536924 /nfs/dbraw/zinc/53/69/24/1096536924.db2.gz SEIDWAUPPFTVPF-WMZOPIPTSA-N 2 2 353.491 4.294 20 0 FIADLP COc1ccc([C@@H]([NH2+][C@H]2C[C@H](c3cccc(OC)c3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423154820 1096589941 /nfs/dbraw/zinc/58/99/41/1096589941.db2.gz KAKUVZBZSOUFFD-DHNNRRLOSA-N 2 2 366.505 4.033 20 0 FIADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CC2 ZINC000423182048 1096607457 /nfs/dbraw/zinc/60/74/57/1096607457.db2.gz DTBPHOMMWOENIC-KRWDZBQOSA-N 2 2 350.293 4.145 20 0 FIADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCCO2 ZINC000423194901 1096614381 /nfs/dbraw/zinc/61/43/81/1096614381.db2.gz ZLUFAWZSSVIHHM-IBGZPJMESA-N 2 2 359.901 4.027 20 0 FIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000423242458 1096626784 /nfs/dbraw/zinc/62/67/84/1096626784.db2.gz LZJWDQLTAOYCTG-YWZLYKJASA-N 2 2 365.521 4.390 20 0 FIADLP COc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000423243713 1096627759 /nfs/dbraw/zinc/62/77/59/1096627759.db2.gz MVPJYOBONATMEH-BEFAXECRSA-N 2 2 372.509 4.186 20 0 FIADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423248724 1096628631 /nfs/dbraw/zinc/62/86/31/1096628631.db2.gz SCWQWZZNCLLPNO-NBHGPNQESA-N 2 2 372.484 4.124 20 0 FIADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cs1 ZINC000423478042 1096697191 /nfs/dbraw/zinc/69/71/91/1096697191.db2.gz SYCVARQSMDAQQR-UWWQBHOKSA-N 2 2 361.530 4.450 20 0 FIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000423505645 1096700479 /nfs/dbraw/zinc/70/04/79/1096700479.db2.gz OPSSLONOJPBQLI-KKSFZXQISA-N 2 2 368.525 4.130 20 0 FIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000423505150 1096700724 /nfs/dbraw/zinc/70/07/24/1096700724.db2.gz NWHDBNVJLKPFNX-PXNSSMCTSA-N 2 2 353.466 4.083 20 0 FIADLP C[C@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000435992708 1098624102 /nfs/dbraw/zinc/62/41/02/1098624102.db2.gz HTZKIVCPSGRTBT-IXDOHACOSA-N 2 2 366.509 4.086 20 0 FIADLP C[C@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000435992708 1098624109 /nfs/dbraw/zinc/62/41/09/1098624109.db2.gz HTZKIVCPSGRTBT-IXDOHACOSA-N 2 2 366.509 4.086 20 0 FIADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000533025543 1098678981 /nfs/dbraw/zinc/67/89/81/1098678981.db2.gz MLSQFAPWYVRILN-YJBOKZPZSA-N 2 2 361.942 4.380 20 0 FIADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000533025543 1098678993 /nfs/dbraw/zinc/67/89/93/1098678993.db2.gz MLSQFAPWYVRILN-YJBOKZPZSA-N 2 2 361.942 4.380 20 0 FIADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000533025543 1098679001 /nfs/dbraw/zinc/67/90/01/1098679001.db2.gz MLSQFAPWYVRILN-YJBOKZPZSA-N 2 2 361.942 4.380 20 0 FIADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000533025543 1098679012 /nfs/dbraw/zinc/67/90/12/1098679012.db2.gz MLSQFAPWYVRILN-YJBOKZPZSA-N 2 2 361.942 4.380 20 0 FIADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000515869956 1098997102 /nfs/dbraw/zinc/99/71/02/1098997102.db2.gz PDYRUZNXGRSBNJ-VVESCEMWSA-N 2 2 363.505 4.203 20 0 FIADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000515869956 1098997108 /nfs/dbraw/zinc/99/71/08/1098997108.db2.gz PDYRUZNXGRSBNJ-VVESCEMWSA-N 2 2 363.505 4.203 20 0 FIADLP CC[N@H+](CCC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531663 1099134579 /nfs/dbraw/zinc/13/45/79/1099134579.db2.gz DDBMSGILTDKQMI-UHFFFAOYSA-N 2 2 358.452 4.152 20 0 FIADLP CC[N@@H+](CCC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531663 1099134585 /nfs/dbraw/zinc/13/45/85/1099134585.db2.gz DDBMSGILTDKQMI-UHFFFAOYSA-N 2 2 358.452 4.152 20 0 FIADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000516083106 1099164426 /nfs/dbraw/zinc/16/44/26/1099164426.db2.gz MHNXEMGEFCLODY-CYBMUJFWSA-N 2 2 358.898 4.187 20 0 FIADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000516083106 1099164430 /nfs/dbraw/zinc/16/44/30/1099164430.db2.gz MHNXEMGEFCLODY-CYBMUJFWSA-N 2 2 358.898 4.187 20 0 FIADLP Cc1cc(C)c(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c(C)[nH+]1 ZINC000455476862 1099246984 /nfs/dbraw/zinc/24/69/84/1099246984.db2.gz LVHIZNIWTOIXLU-UHFFFAOYSA-N 2 2 374.916 4.256 20 0 FIADLP Cc1cc(C)c(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c(C)[nH+]1 ZINC000455479006 1099250150 /nfs/dbraw/zinc/25/01/50/1099250150.db2.gz NLILJFHZDKUOJN-UHFFFAOYSA-N 2 2 366.509 4.101 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000455494601 1099258241 /nfs/dbraw/zinc/25/82/41/1099258241.db2.gz DWVFRNUHYNUKTP-IEBWSBKVSA-N 2 2 372.900 4.227 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000455494601 1099258254 /nfs/dbraw/zinc/25/82/54/1099258254.db2.gz DWVFRNUHYNUKTP-IEBWSBKVSA-N 2 2 372.900 4.227 20 0 FIADLP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455485340 1099268357 /nfs/dbraw/zinc/26/83/57/1099268357.db2.gz RCZRXOYQROKCMI-UHFFFAOYSA-N 2 2 354.498 4.170 20 0 FIADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655762515 1099321979 /nfs/dbraw/zinc/32/19/79/1099321979.db2.gz WMFOHLYJXXZNEK-PKOBYXMFSA-N 2 2 370.459 4.222 20 0 FIADLP CCCc1csc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261827427 1099665027 /nfs/dbraw/zinc/66/50/27/1099665027.db2.gz IVQZYQRWAOIGNQ-KRWDZBQOSA-N 2 2 361.580 4.301 20 0 FIADLP CCCc1csc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261827427 1099665035 /nfs/dbraw/zinc/66/50/35/1099665035.db2.gz IVQZYQRWAOIGNQ-KRWDZBQOSA-N 2 2 361.580 4.301 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508703639 1099857683 /nfs/dbraw/zinc/85/76/83/1099857683.db2.gz ZEWFWECILGOBCE-MZKRTTBSSA-N 3 2 374.532 4.434 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508703639 1099857688 /nfs/dbraw/zinc/85/76/88/1099857688.db2.gz ZEWFWECILGOBCE-MZKRTTBSSA-N 3 2 374.532 4.434 20 0 FIADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000516865906 1099893776 /nfs/dbraw/zinc/89/37/76/1099893776.db2.gz JALACURDUBYKSZ-GOSISDBHSA-N 2 2 354.498 4.402 20 0 FIADLP COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@@H+]2CCc2c[nH+]cn2C)c1 ZINC000459403797 1100111778 /nfs/dbraw/zinc/11/17/78/1100111778.db2.gz GTBMINNGOKJJMU-PKTZIBPZSA-N 2 2 361.489 4.202 20 0 FIADLP COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@H+]2CCc2c[nH+]cn2C)c1 ZINC000459403797 1100111785 /nfs/dbraw/zinc/11/17/85/1100111785.db2.gz GTBMINNGOKJJMU-PKTZIBPZSA-N 2 2 361.489 4.202 20 0 FIADLP Cc1ccc(-n2cc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000536660716 1100132880 /nfs/dbraw/zinc/13/28/80/1100132880.db2.gz ONEODQFOXJICCA-GHTZIAJQSA-N 2 2 368.569 4.393 20 0 FIADLP Cc1ccc(-n2cc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000536660716 1100132882 /nfs/dbraw/zinc/13/28/82/1100132882.db2.gz ONEODQFOXJICCA-GHTZIAJQSA-N 2 2 368.569 4.393 20 0 FIADLP Cc1ccc(-n2cc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000536660716 1100132891 /nfs/dbraw/zinc/13/28/91/1100132891.db2.gz ONEODQFOXJICCA-GHTZIAJQSA-N 2 2 368.569 4.393 20 0 FIADLP Cc1ccc(-n2cc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000536660716 1100132894 /nfs/dbraw/zinc/13/28/94/1100132894.db2.gz ONEODQFOXJICCA-GHTZIAJQSA-N 2 2 368.569 4.393 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536673402 1100158601 /nfs/dbraw/zinc/15/86/01/1100158601.db2.gz FPGOSWDREHFYNU-QFIPXVFZSA-N 2 2 374.532 4.135 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536673402 1100158609 /nfs/dbraw/zinc/15/86/09/1100158609.db2.gz FPGOSWDREHFYNU-QFIPXVFZSA-N 2 2 374.532 4.135 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536673402 1100158614 /nfs/dbraw/zinc/15/86/14/1100158614.db2.gz FPGOSWDREHFYNU-QFIPXVFZSA-N 2 2 374.532 4.135 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536673402 1100158619 /nfs/dbraw/zinc/15/86/19/1100158619.db2.gz FPGOSWDREHFYNU-QFIPXVFZSA-N 2 2 374.532 4.135 20 0 FIADLP Cc1nc2ccccn2c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000536674913 1100164510 /nfs/dbraw/zinc/16/45/10/1100164510.db2.gz HQKUICGGOBESHS-XMMPIXPASA-N 2 2 374.532 4.131 20 0 FIADLP Cc1nc2ccccn2c1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000536674913 1100164526 /nfs/dbraw/zinc/16/45/26/1100164526.db2.gz HQKUICGGOBESHS-XMMPIXPASA-N 2 2 374.532 4.131 20 0 FIADLP Cc1nc2ccccn2c1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000536674913 1100164534 /nfs/dbraw/zinc/16/45/34/1100164534.db2.gz HQKUICGGOBESHS-XMMPIXPASA-N 2 2 374.532 4.131 20 0 FIADLP Cc1nc2ccccn2c1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000536674913 1100164543 /nfs/dbraw/zinc/16/45/43/1100164543.db2.gz HQKUICGGOBESHS-XMMPIXPASA-N 2 2 374.532 4.131 20 0 FIADLP CC[N@@H+](Cc1c[nH]nc1C(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536709919 1100229261 /nfs/dbraw/zinc/22/92/61/1100229261.db2.gz GESMXMXQTNPNMT-LJQANCHMSA-N 2 2 354.542 4.051 20 0 FIADLP CC[N@H+](Cc1c[nH]nc1C(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536709919 1100229271 /nfs/dbraw/zinc/22/92/71/1100229271.db2.gz GESMXMXQTNPNMT-LJQANCHMSA-N 2 2 354.542 4.051 20 0 FIADLP CC[NH+](Cc1c[nH]nc1C(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536709919 1100229279 /nfs/dbraw/zinc/22/92/79/1100229279.db2.gz GESMXMXQTNPNMT-LJQANCHMSA-N 2 2 354.542 4.051 20 0 FIADLP CC[NH+](Cc1c[nH]nc1C(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536709919 1100229289 /nfs/dbraw/zinc/22/92/89/1100229289.db2.gz GESMXMXQTNPNMT-LJQANCHMSA-N 2 2 354.542 4.051 20 0 FIADLP COc1cccc(OCCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000536871525 1100389678 /nfs/dbraw/zinc/38/96/78/1100389678.db2.gz RSUHIUODVUBSBL-KRWDZBQOSA-N 2 2 351.450 4.001 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425948372 1100422198 /nfs/dbraw/zinc/42/21/98/1100422198.db2.gz AKOPPFISJPODNK-ZHRRBRCNSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425948372 1100422206 /nfs/dbraw/zinc/42/22/06/1100422206.db2.gz AKOPPFISJPODNK-ZHRRBRCNSA-N 2 2 353.485 4.098 20 0 FIADLP Fc1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1Br ZINC000518290078 1101069426 /nfs/dbraw/zinc/06/94/26/1101069426.db2.gz JDTSWJDTZTZPBW-UHFFFAOYSA-N 2 2 374.257 4.106 20 0 FIADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000439002941 1101072524 /nfs/dbraw/zinc/07/25/24/1101072524.db2.gz ONIUKUXLBZHRME-YCZSINBZSA-N 2 2 353.510 4.024 20 0 FIADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000439002941 1101072533 /nfs/dbraw/zinc/07/25/33/1101072533.db2.gz ONIUKUXLBZHRME-YCZSINBZSA-N 2 2 353.510 4.024 20 0 FIADLP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000426324898 1101260530 /nfs/dbraw/zinc/26/05/30/1101260530.db2.gz GVCASYNKBHFADY-REWPJTCUSA-N 2 2 365.565 4.476 20 0 FIADLP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000426324898 1101260537 /nfs/dbraw/zinc/26/05/37/1101260537.db2.gz GVCASYNKBHFADY-REWPJTCUSA-N 2 2 365.565 4.476 20 0 FIADLP FC(F)(F)[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000518623231 1101364748 /nfs/dbraw/zinc/36/47/48/1101364748.db2.gz APFNYBQYOQGBHD-GOSISDBHSA-N 2 2 359.395 4.383 20 0 FIADLP FC(F)(F)[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000518623232 1101365025 /nfs/dbraw/zinc/36/50/25/1101365025.db2.gz APFNYBQYOQGBHD-SFHVURJKSA-N 2 2 359.395 4.383 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(Br)c2)cn1 ZINC000173334942 1101366782 /nfs/dbraw/zinc/36/67/82/1101366782.db2.gz GNNVEQMSSQFLTB-ZDUSSCGKSA-N 2 2 371.282 4.189 20 0 FIADLP Cc1cc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)ccc1F ZINC000536956242 1101370964 /nfs/dbraw/zinc/37/09/64/1101370964.db2.gz UIBCFSBSDMSLGI-QHCPKHFHSA-N 2 2 368.496 4.207 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000297094752 1101526281 /nfs/dbraw/zinc/52/62/81/1101526281.db2.gz XIVZKOYRIMQDQY-BEFAXECRSA-N 2 2 370.928 4.323 20 0 FIADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(F)cc(Br)c1 ZINC000537295744 1101617355 /nfs/dbraw/zinc/61/73/55/1101617355.db2.gz MVOPXDMUKADKPT-INIZCTEOSA-N 2 2 354.267 4.306 20 0 FIADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)c(Cl)c1 ZINC000537455249 1101806552 /nfs/dbraw/zinc/80/65/52/1101806552.db2.gz BKKRJPLSKDVGST-BBRMVZONSA-N 2 2 362.880 4.188 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000398045939 1101963181 /nfs/dbraw/zinc/96/31/81/1101963181.db2.gz VRGBJGLGWVERFD-SJLPKXTDSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000398045939 1101963183 /nfs/dbraw/zinc/96/31/83/1101963183.db2.gz VRGBJGLGWVERFD-SJLPKXTDSA-N 2 2 351.519 4.297 20 0 FIADLP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000536846248 1101984418 /nfs/dbraw/zinc/98/44/18/1101984418.db2.gz RFQFWTZHIXGWFF-HYFFOGBASA-N 2 2 365.477 4.308 20 0 FIADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)Cc1ccc(Cl)cc1)[C@@H]2C ZINC001168176676 1101987340 /nfs/dbraw/zinc/98/73/40/1101987340.db2.gz HYERJXUBAPWJOU-DLBZAZTESA-N 2 2 374.960 4.385 20 0 FIADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)Cc1ccc(Cl)cc1)[C@@H]2C ZINC001168176676 1101987345 /nfs/dbraw/zinc/98/73/45/1101987345.db2.gz HYERJXUBAPWJOU-DLBZAZTESA-N 2 2 374.960 4.385 20 0 FIADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H](C)Cc1ccc(Cl)cc1)[C@@H]2C ZINC001168176676 1101987347 /nfs/dbraw/zinc/98/73/47/1101987347.db2.gz HYERJXUBAPWJOU-DLBZAZTESA-N 2 2 374.960 4.385 20 0 FIADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccc(Cl)cc1)[C@@H]2C ZINC001168176676 1101987351 /nfs/dbraw/zinc/98/73/51/1101987351.db2.gz HYERJXUBAPWJOU-DLBZAZTESA-N 2 2 374.960 4.385 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)n2c1CCCC2 ZINC000282040603 1102063154 /nfs/dbraw/zinc/06/31/54/1102063154.db2.gz LLUBIHGAVZKEDJ-GOSISDBHSA-N 2 2 362.477 4.254 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3coc(-c4ccccc4)n3)C2)n2c1CCCC2 ZINC000282040603 1102063169 /nfs/dbraw/zinc/06/31/69/1102063169.db2.gz LLUBIHGAVZKEDJ-GOSISDBHSA-N 2 2 362.477 4.254 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCc4c3cccc4Cl)[nH+]c2)CC1 ZINC000537486790 1102173054 /nfs/dbraw/zinc/17/30/54/1102173054.db2.gz QFJJIIAMNHMYKS-FQEVSTJZSA-N 2 2 370.928 4.365 20 0 FIADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000537630878 1102255878 /nfs/dbraw/zinc/25/58/78/1102255878.db2.gz GKTYGKUMKXUPTB-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000537630878 1102255887 /nfs/dbraw/zinc/25/58/87/1102255887.db2.gz GKTYGKUMKXUPTB-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000537630878 1102255899 /nfs/dbraw/zinc/25/58/99/1102255899.db2.gz GKTYGKUMKXUPTB-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000537630878 1102255910 /nfs/dbraw/zinc/25/59/10/1102255910.db2.gz GKTYGKUMKXUPTB-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000415054780 1102271251 /nfs/dbraw/zinc/27/12/51/1102271251.db2.gz MUJATIOWTWTBLB-GOSISDBHSA-N 2 2 359.901 4.055 20 0 FIADLP c1cn(-c2ccccc2-c2noc([C@H]3CCC[NH2+][C@H]3c3ccccc3)n2)c[nH+]1 ZINC001211849386 1102312251 /nfs/dbraw/zinc/31/22/51/1102312251.db2.gz SESFXDSBMXMHEC-ICSRJNTNSA-N 2 2 371.444 4.131 20 0 FIADLP C[N@@H+](Cc1cnc(C(C)(C)C)s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537632829 1102329508 /nfs/dbraw/zinc/32/95/08/1102329508.db2.gz UKJHUOIBCMLWKH-SFHVURJKSA-N 2 2 357.567 4.395 20 0 FIADLP C[N@H+](Cc1cnc(C(C)(C)C)s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537632829 1102329521 /nfs/dbraw/zinc/32/95/21/1102329521.db2.gz UKJHUOIBCMLWKH-SFHVURJKSA-N 2 2 357.567 4.395 20 0 FIADLP C[NH+](Cc1cnc(C(C)(C)C)s1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537632829 1102329532 /nfs/dbraw/zinc/32/95/32/1102329532.db2.gz UKJHUOIBCMLWKH-SFHVURJKSA-N 2 2 357.567 4.395 20 0 FIADLP C[NH+](Cc1cnc(C(C)(C)C)s1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537632829 1102329546 /nfs/dbraw/zinc/32/95/46/1102329546.db2.gz UKJHUOIBCMLWKH-SFHVURJKSA-N 2 2 357.567 4.395 20 0 FIADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000532467748 1102375284 /nfs/dbraw/zinc/37/52/84/1102375284.db2.gz HFSTTXJFCGCUTF-JKSUJKDBSA-N 2 2 353.441 4.302 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C[C@@H]1C ZINC000537635881 1102382311 /nfs/dbraw/zinc/38/23/11/1102382311.db2.gz CDMCMNKXNSYYNZ-PGRDOPGGSA-N 2 2 368.569 4.161 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C[C@@H]1C ZINC000537635881 1102382323 /nfs/dbraw/zinc/38/23/23/1102382323.db2.gz CDMCMNKXNSYYNZ-PGRDOPGGSA-N 2 2 368.569 4.161 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C[C@@H]1C ZINC000537635881 1102382335 /nfs/dbraw/zinc/38/23/35/1102382335.db2.gz CDMCMNKXNSYYNZ-PGRDOPGGSA-N 2 2 368.569 4.161 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C[C@@H]1C ZINC000537635881 1102382345 /nfs/dbraw/zinc/38/23/45/1102382345.db2.gz CDMCMNKXNSYYNZ-PGRDOPGGSA-N 2 2 368.569 4.161 20 0 FIADLP c1sc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)nc1-c1ccccc1 ZINC001167971248 1102440349 /nfs/dbraw/zinc/44/03/49/1102440349.db2.gz UYJVUQBTJIHKPI-YQQQUEKLSA-N 2 2 353.535 4.305 20 0 FIADLP c1sc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)nc1-c1ccccc1 ZINC001167971248 1102440353 /nfs/dbraw/zinc/44/03/53/1102440353.db2.gz UYJVUQBTJIHKPI-YQQQUEKLSA-N 2 2 353.535 4.305 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Cl)ccc1Cl ZINC000655755971 1102765251 /nfs/dbraw/zinc/76/52/51/1102765251.db2.gz JUXIFKXEJXLNKI-XJKSGUPXSA-N 2 2 357.325 4.287 20 0 FIADLP CC1(C)OCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000551029528 1102808297 /nfs/dbraw/zinc/80/82/97/1102808297.db2.gz IVQMPWGLIOQUMH-JOCHJYFZSA-N 2 2 361.489 4.256 20 0 FIADLP Brc1cc2c(s1)CC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000551029476 1102809135 /nfs/dbraw/zinc/80/91/35/1102809135.db2.gz FYUZRRXXALVQPI-ZDUSSCGKSA-N 2 2 366.328 4.375 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC[N@@H+]1C ZINC000608061568 1102832610 /nfs/dbraw/zinc/83/26/10/1102832610.db2.gz YYRDXNGPZQSGOC-CJNGLKHVSA-N 2 2 363.299 4.281 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC[N@H+]1C ZINC000608061568 1102832624 /nfs/dbraw/zinc/83/26/24/1102832624.db2.gz YYRDXNGPZQSGOC-CJNGLKHVSA-N 2 2 363.299 4.281 20 0 FIADLP c1cc2n(c1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)[C@H]2c1ccccc1 ZINC001167983406 1102875774 /nfs/dbraw/zinc/87/57/74/1102875774.db2.gz HLOOCSBSRQZDLL-OTTNMNEJSA-N 2 2 361.533 4.299 20 0 FIADLP c1cc2n(c1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)[C@H]2c1ccccc1 ZINC001167983406 1102875791 /nfs/dbraw/zinc/87/57/91/1102875791.db2.gz HLOOCSBSRQZDLL-OTTNMNEJSA-N 2 2 361.533 4.299 20 0 FIADLP c1cc2n(c1)CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)[C@H]2c1ccccc1 ZINC001167983406 1102875809 /nfs/dbraw/zinc/87/58/09/1102875809.db2.gz HLOOCSBSRQZDLL-OTTNMNEJSA-N 2 2 361.533 4.299 20 0 FIADLP c1cc2n(c1)CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)[C@H]2c1ccccc1 ZINC001167983406 1102875827 /nfs/dbraw/zinc/87/58/27/1102875827.db2.gz HLOOCSBSRQZDLL-OTTNMNEJSA-N 2 2 361.533 4.299 20 0 FIADLP CCCCCn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(C)n1 ZINC000551084298 1102902811 /nfs/dbraw/zinc/90/28/11/1102902811.db2.gz WCAUBPULAMSAOZ-FCHUYYIVSA-N 2 2 354.542 4.307 20 0 FIADLP CCCCCn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(C)n1 ZINC000551084298 1102902819 /nfs/dbraw/zinc/90/28/19/1102902819.db2.gz WCAUBPULAMSAOZ-FCHUYYIVSA-N 2 2 354.542 4.307 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000551175194 1102949618 /nfs/dbraw/zinc/94/96/18/1102949618.db2.gz IDNABXXJGTXBTC-QHAWAJNXSA-N 2 2 358.913 4.453 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000551175194 1102949623 /nfs/dbraw/zinc/94/96/23/1102949623.db2.gz IDNABXXJGTXBTC-QHAWAJNXSA-N 2 2 358.913 4.453 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1cn[nH]c1 ZINC000551266218 1103026731 /nfs/dbraw/zinc/02/67/31/1103026731.db2.gz YCJYLEGTJRFZJM-QGZVFWFLSA-N 2 2 357.461 4.172 20 0 FIADLP CC1(C)[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C[C@@H]1Oc1ccccc1 ZINC000551540962 1103319591 /nfs/dbraw/zinc/31/95/91/1103319591.db2.gz IFFUVCRRBCPNIE-YADHBBJMSA-N 2 2 361.489 4.267 20 0 FIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cnc(C(C)(C)C)nc2)c(C)c1 ZINC000551553961 1103353172 /nfs/dbraw/zinc/35/31/72/1103353172.db2.gz BOBLHPCKPRQLLU-HXUWFJFHSA-N 2 2 363.509 4.119 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCn2ccc3ccccc32)CC1 ZINC000507465423 1103412365 /nfs/dbraw/zinc/41/23/65/1103412365.db2.gz APBXREFJGUOEOF-UHFFFAOYSA-N 2 2 353.432 4.038 20 0 FIADLP CC(C)[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Nc1ccccc1 ZINC000507516691 1103442024 /nfs/dbraw/zinc/44/20/24/1103442024.db2.gz WMBUEHQTCZWHRJ-GOSISDBHSA-N 2 2 357.464 4.130 20 0 FIADLP Fc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccc(Cl)cc2)cc1 ZINC000519615930 1103633850 /nfs/dbraw/zinc/63/38/50/1103633850.db2.gz SZAGQXBGFCXSDT-PXNSSMCTSA-N 2 2 355.844 4.439 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189212903 1104786383 /nfs/dbraw/zinc/78/63/83/1104786383.db2.gz MANRUCRJQXVWNS-YJRNTSOCSA-N 2 2 363.549 4.293 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189212903 1104786390 /nfs/dbraw/zinc/78/63/90/1104786390.db2.gz MANRUCRJQXVWNS-YJRNTSOCSA-N 2 2 363.549 4.293 20 0 FIADLP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CCC2 ZINC000427719606 1105257543 /nfs/dbraw/zinc/25/75/43/1105257543.db2.gz CHSUKHAXOCWCFC-GOSISDBHSA-N 2 2 372.394 4.453 20 0 FIADLP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253059 1105344407 /nfs/dbraw/zinc/34/44/07/1105344407.db2.gz FEUVFVWVWFHAKY-NORZTCDRSA-N 2 2 350.375 4.121 20 0 FIADLP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CC[NH2+]C24CCC4)CCC3)cc1 ZINC000530217954 1106918912 /nfs/dbraw/zinc/91/89/12/1106918912.db2.gz HWWJTNRTMHPASG-FUHWJXTLSA-N 2 2 369.534 4.070 20 0 FIADLP c1ccc(N2CC[NH+](Cc3ccccc3CNc3cccc[nH+]3)CC2)cc1 ZINC000301120676 1106939699 /nfs/dbraw/zinc/93/96/99/1106939699.db2.gz SDAUWRZMGAJVHZ-UHFFFAOYSA-N 2 2 358.489 4.016 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000530386816 1106995339 /nfs/dbraw/zinc/99/53/39/1106995339.db2.gz CNJBBIUKPBKGJI-MJGOQNOKSA-N 2 2 364.489 4.442 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530386816 1106995343 /nfs/dbraw/zinc/99/53/43/1106995343.db2.gz CNJBBIUKPBKGJI-MJGOQNOKSA-N 2 2 364.489 4.442 20 0 FIADLP CC[N@H+](C[C@H]1CCC2(CCCC2)O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000530464124 1107045396 /nfs/dbraw/zinc/04/53/96/1107045396.db2.gz DXMQRNMTRZZWJX-HXUWFJFHSA-N 2 2 357.542 4.112 20 0 FIADLP CC[N@@H+](C[C@H]1CCC2(CCCC2)O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000530464124 1107045417 /nfs/dbraw/zinc/04/54/17/1107045417.db2.gz DXMQRNMTRZZWJX-HXUWFJFHSA-N 2 2 357.542 4.112 20 0 FIADLP Cc1[nH+]ccn1CCCN(C)c1cc[nH+]c2c(Br)cccc12 ZINC000301794814 1107154088 /nfs/dbraw/zinc/15/40/88/1107154088.db2.gz SUUFKPYEKDAWKC-UHFFFAOYSA-N 2 2 359.271 4.029 20 0 FIADLP Cc1nc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c2c([nH+]1)CCCC2 ZINC000302081136 1107293816 /nfs/dbraw/zinc/29/38/16/1107293816.db2.gz JCAPPRCTBZAZOR-DNVCBOLYSA-N 2 2 356.539 4.220 20 0 FIADLP Cc1nc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c2c([nH+]1)CCCC2 ZINC000302081136 1107293826 /nfs/dbraw/zinc/29/38/26/1107293826.db2.gz JCAPPRCTBZAZOR-DNVCBOLYSA-N 2 2 356.539 4.220 20 0 FIADLP CCc1nc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000428366701 1107898933 /nfs/dbraw/zinc/89/89/33/1107898933.db2.gz YWLBLOUMVNMRIY-PMACEKPBSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1nc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000428366701 1107898951 /nfs/dbraw/zinc/89/89/51/1107898951.db2.gz YWLBLOUMVNMRIY-PMACEKPBSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000428366701 1107898971 /nfs/dbraw/zinc/89/89/71/1107898971.db2.gz YWLBLOUMVNMRIY-PMACEKPBSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000428366701 1107898987 /nfs/dbraw/zinc/89/89/87/1107898987.db2.gz YWLBLOUMVNMRIY-PMACEKPBSA-N 2 2 353.510 4.032 20 0 FIADLP C[C@H](CCCc1cccnc1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000453166137 1108238495 /nfs/dbraw/zinc/23/84/95/1108238495.db2.gz HIQMTBUQGUREPH-MOPGFXCFSA-N 2 2 352.526 4.003 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]3C(C)(C)C)CC2)cc1 ZINC000453320331 1108410079 /nfs/dbraw/zinc/41/00/79/1108410079.db2.gz FIULVZOQRCYRAJ-NHCUHLMSSA-N 2 2 357.542 4.024 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)c1cccs1 ZINC000453334658 1108424565 /nfs/dbraw/zinc/42/45/65/1108424565.db2.gz XMMFHBXHFWOJSZ-FQEVSTJZSA-N 2 2 371.550 4.412 20 0 FIADLP COc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccc(F)cc2)cc1 ZINC000453355179 1108457073 /nfs/dbraw/zinc/45/70/73/1108457073.db2.gz OUIWQCJFRADBIK-RKKYOWQMSA-N 2 2 354.469 4.139 20 0 FIADLP COc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccc(F)cc2)cc1 ZINC000453355179 1108457078 /nfs/dbraw/zinc/45/70/78/1108457078.db2.gz OUIWQCJFRADBIK-RKKYOWQMSA-N 2 2 354.469 4.139 20 0 FIADLP CCCc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)o1 ZINC000453384784 1108470273 /nfs/dbraw/zinc/47/02/73/1108470273.db2.gz NBHZFUROZVOLDR-HBMCJLEFSA-N 2 2 353.510 4.160 20 0 FIADLP CCCc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)o1 ZINC000453384784 1108470277 /nfs/dbraw/zinc/47/02/77/1108470277.db2.gz NBHZFUROZVOLDR-HBMCJLEFSA-N 2 2 353.510 4.160 20 0 FIADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CCCO2 ZINC000532195485 1108703292 /nfs/dbraw/zinc/70/32/92/1108703292.db2.gz MMIJLVOBFSSNRO-QFIPXVFZSA-N 2 2 368.496 4.336 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1)CCC2 ZINC000532243107 1108734103 /nfs/dbraw/zinc/73/41/03/1108734103.db2.gz HNRCBENPJHKOOW-ZBFHGGJFSA-N 2 2 374.916 4.038 20 0 FIADLP CC(C)O[C@H](C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000428417498 1108973082 /nfs/dbraw/zinc/97/30/82/1108973082.db2.gz CXYWCQIHOCWUDQ-ZRBLBEILSA-N 2 2 367.537 4.173 20 0 FIADLP CC(C)O[C@H](C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000428417498 1108973084 /nfs/dbraw/zinc/97/30/84/1108973084.db2.gz CXYWCQIHOCWUDQ-ZRBLBEILSA-N 2 2 367.537 4.173 20 0 FIADLP CC(C)O[C@H](C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000428417498 1108973085 /nfs/dbraw/zinc/97/30/85/1108973085.db2.gz CXYWCQIHOCWUDQ-ZRBLBEILSA-N 2 2 367.537 4.173 20 0 FIADLP CC(C)O[C@H](C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000428417498 1108973090 /nfs/dbraw/zinc/97/30/90/1108973090.db2.gz CXYWCQIHOCWUDQ-ZRBLBEILSA-N 2 2 367.537 4.173 20 0 FIADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000525267150 1109325085 /nfs/dbraw/zinc/32/50/85/1109325085.db2.gz IITBRVSEIXULCI-WBVHZDCISA-N 2 2 370.368 4.155 20 0 FIADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000525267150 1109325090 /nfs/dbraw/zinc/32/50/90/1109325090.db2.gz IITBRVSEIXULCI-WBVHZDCISA-N 2 2 370.368 4.155 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1F)CCC2 ZINC000446823066 1109350093 /nfs/dbraw/zinc/35/00/93/1109350093.db2.gz IHDCRQMKYPESNU-OLZOCXBDSA-N 2 2 366.278 4.321 20 0 FIADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCn3cc(C)[nH+]c31)CCCS2 ZINC000446822983 1109350527 /nfs/dbraw/zinc/35/05/27/1109350527.db2.gz HLJWLQNAUVFOGM-QAPCUYQASA-N 2 2 357.523 4.294 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000447057882 1109426025 /nfs/dbraw/zinc/42/60/25/1109426025.db2.gz GVFAKHBMZYLKPN-UHFFFAOYSA-N 2 2 359.473 4.495 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000447093393 1109435922 /nfs/dbraw/zinc/43/59/22/1109435922.db2.gz JILNBFFGQSVKTQ-UHFFFAOYSA-N 2 2 362.420 4.077 20 0 FIADLP CCCOc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c(OCCC)c1 ZINC000525696432 1109480618 /nfs/dbraw/zinc/48/06/18/1109480618.db2.gz UBIMTGDXISPZNN-IBGZPJMESA-N 2 2 371.525 4.436 20 0 FIADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC[C@@H]3c3ccccc3)C2)cc1 ZINC000429720754 1109605257 /nfs/dbraw/zinc/60/52/57/1109605257.db2.gz QANOJQMJVCZXMS-DHIUTWEWSA-N 2 2 350.506 4.115 20 0 FIADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC[C@@H]3c3ccccc3)C2)cc1 ZINC000429720754 1109605258 /nfs/dbraw/zinc/60/52/58/1109605258.db2.gz QANOJQMJVCZXMS-DHIUTWEWSA-N 2 2 350.506 4.115 20 0 FIADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CCC[C@@H]3c3ccccc3)C2)cc1 ZINC000429720754 1109605259 /nfs/dbraw/zinc/60/52/59/1109605259.db2.gz QANOJQMJVCZXMS-DHIUTWEWSA-N 2 2 350.506 4.115 20 0 FIADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CCC[C@@H]3c3ccccc3)C2)cc1 ZINC000429720754 1109605260 /nfs/dbraw/zinc/60/52/60/1109605260.db2.gz QANOJQMJVCZXMS-DHIUTWEWSA-N 2 2 350.506 4.115 20 0 FIADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC[C@@H]3c3ccccc3)C2)cc1 ZINC000429720757 1109605932 /nfs/dbraw/zinc/60/59/32/1109605932.db2.gz QANOJQMJVCZXMS-XZOQPEGZSA-N 2 2 350.506 4.115 20 0 FIADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC[C@@H]3c3ccccc3)C2)cc1 ZINC000429720757 1109605934 /nfs/dbraw/zinc/60/59/34/1109605934.db2.gz QANOJQMJVCZXMS-XZOQPEGZSA-N 2 2 350.506 4.115 20 0 FIADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCC[C@@H]3c3ccccc3)C2)cc1 ZINC000429720757 1109605935 /nfs/dbraw/zinc/60/59/35/1109605935.db2.gz QANOJQMJVCZXMS-XZOQPEGZSA-N 2 2 350.506 4.115 20 0 FIADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCC[C@@H]3c3ccccc3)C2)cc1 ZINC000429720757 1109605937 /nfs/dbraw/zinc/60/59/37/1109605937.db2.gz QANOJQMJVCZXMS-XZOQPEGZSA-N 2 2 350.506 4.115 20 0 FIADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000447816481 1109646919 /nfs/dbraw/zinc/64/69/19/1109646919.db2.gz LDYRAIFCZPVOFZ-OALUTQOASA-N 2 2 374.532 4.323 20 0 FIADLP C[C@@H]([NH2+]Cc1cc2c(c(Cl)c1)OCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000527049570 1109679699 /nfs/dbraw/zinc/67/96/99/1109679699.db2.gz ZPNMBSZZXCZBEJ-CYBMUJFWSA-N 2 2 355.825 4.105 20 0 FIADLP C[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000527197880 1109717975 /nfs/dbraw/zinc/71/79/75/1109717975.db2.gz CFOMYIXMMIKLFO-OAHLLOKOSA-N 2 2 363.427 4.463 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000527925340 1109856461 /nfs/dbraw/zinc/85/64/61/1109856461.db2.gz AHRHVBXPPJBLTN-NTKDMRAZSA-N 2 2 363.549 4.077 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000527925340 1109856465 /nfs/dbraw/zinc/85/64/65/1109856465.db2.gz AHRHVBXPPJBLTN-NTKDMRAZSA-N 2 2 363.549 4.077 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)[C@H](C)C1 ZINC000449027457 1109958916 /nfs/dbraw/zinc/95/89/16/1109958916.db2.gz IJXVRMMTSIGQFH-DYVFJYSZSA-N 2 2 365.493 4.250 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)[C@H](C)C1 ZINC000449027457 1109958917 /nfs/dbraw/zinc/95/89/17/1109958917.db2.gz IJXVRMMTSIGQFH-DYVFJYSZSA-N 2 2 365.493 4.250 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)[C@H](C)C1 ZINC000449027457 1109958918 /nfs/dbraw/zinc/95/89/18/1109958918.db2.gz IJXVRMMTSIGQFH-DYVFJYSZSA-N 2 2 365.493 4.250 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)[C@H](C)C1 ZINC000449027457 1109958921 /nfs/dbraw/zinc/95/89/21/1109958921.db2.gz IJXVRMMTSIGQFH-DYVFJYSZSA-N 2 2 365.493 4.250 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449026522 1109959477 /nfs/dbraw/zinc/95/94/77/1109959477.db2.gz GBLVWGDPTSICDA-IBGZPJMESA-N 2 2 357.567 4.092 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449026522 1109959478 /nfs/dbraw/zinc/95/94/78/1109959478.db2.gz GBLVWGDPTSICDA-IBGZPJMESA-N 2 2 357.567 4.092 20 0 FIADLP CC[N@@H+](Cc1ccnn1C1CCCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449034670 1109961381 /nfs/dbraw/zinc/96/13/81/1109961381.db2.gz DLKMXPSEDSGWOG-OAQYLSRUSA-N 2 2 366.553 4.342 20 0 FIADLP CC[N@H+](Cc1ccnn1C1CCCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449034670 1109961384 /nfs/dbraw/zinc/96/13/84/1109961384.db2.gz DLKMXPSEDSGWOG-OAQYLSRUSA-N 2 2 366.553 4.342 20 0 FIADLP CC[NH+](Cc1ccnn1C1CCCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449034670 1109961385 /nfs/dbraw/zinc/96/13/85/1109961385.db2.gz DLKMXPSEDSGWOG-OAQYLSRUSA-N 2 2 366.553 4.342 20 0 FIADLP CC[NH+](Cc1ccnn1C1CCCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449034670 1109961386 /nfs/dbraw/zinc/96/13/86/1109961386.db2.gz DLKMXPSEDSGWOG-OAQYLSRUSA-N 2 2 366.553 4.342 20 0 FIADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CC2 ZINC000449070910 1109972528 /nfs/dbraw/zinc/97/25/28/1109972528.db2.gz FVAUOXFPUXBFNK-QGZVFWFLSA-N 2 2 371.406 4.168 20 0 FIADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC2 ZINC000449074960 1109973500 /nfs/dbraw/zinc/97/35/00/1109973500.db2.gz QGFIWSTVNXEWHL-KRWDZBQOSA-N 2 2 357.379 4.126 20 0 FIADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc3ccccc3n2)CC1 ZINC000449105755 1109976803 /nfs/dbraw/zinc/97/68/03/1109976803.db2.gz ZRDVSQKUDXYSLO-IBGZPJMESA-N 2 2 359.517 4.420 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(CCc3ccccc3)s1)CCC2 ZINC000449168006 1109987590 /nfs/dbraw/zinc/98/75/90/1109987590.db2.gz LGCWNAOLJGKYIQ-GOSISDBHSA-N 2 2 366.534 4.100 20 0 FIADLP CCCC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449520440 1110098370 /nfs/dbraw/zinc/09/83/70/1110098370.db2.gz DRRCAFWOZCNAJK-MSOLQXFVSA-N 2 2 359.558 4.414 20 0 FIADLP CC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000449524496 1110098633 /nfs/dbraw/zinc/09/86/33/1110098633.db2.gz OHGDQPFDLHTPFT-AVRDEDQJSA-N 2 2 357.542 4.168 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@H](C)c3ccccc3)CC2)cc1 ZINC000449526638 1110099374 /nfs/dbraw/zinc/09/93/74/1110099374.db2.gz WYCJMWCZTUHBDA-SFHVURJKSA-N 2 2 365.521 4.003 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000449729328 1110154781 /nfs/dbraw/zinc/15/47/81/1110154781.db2.gz ALUWVWLGYKNNBT-FQEVSTJZSA-N 2 2 354.404 4.191 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000449729328 1110154783 /nfs/dbraw/zinc/15/47/83/1110154783.db2.gz ALUWVWLGYKNNBT-FQEVSTJZSA-N 2 2 354.404 4.191 20 0 FIADLP Cc1nc(C(C)C)sc1[C@@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000538559222 1111193349 /nfs/dbraw/zinc/19/33/49/1111193349.db2.gz VCZNEDOJLMOAIY-RHSMWYFYSA-N 2 2 373.570 4.283 20 0 FIADLP Cc1cccc2ncc(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)n21 ZINC000538732130 1111268829 /nfs/dbraw/zinc/26/88/29/1111268829.db2.gz MPYLCAHIMNTVAB-PZJWPPBQSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccc2ncc(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)n21 ZINC000538732130 1111268832 /nfs/dbraw/zinc/26/88/32/1111268832.db2.gz MPYLCAHIMNTVAB-PZJWPPBQSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccc2ncc(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)n21 ZINC000538732130 1111268834 /nfs/dbraw/zinc/26/88/34/1111268834.db2.gz MPYLCAHIMNTVAB-PZJWPPBQSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccc2ncc(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)n21 ZINC000538732130 1111268837 /nfs/dbraw/zinc/26/88/37/1111268837.db2.gz MPYLCAHIMNTVAB-PZJWPPBQSA-N 2 2 362.521 4.128 20 0 FIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000538723931 1111274594 /nfs/dbraw/zinc/27/45/94/1111274594.db2.gz HGCIVKYKTQGGIM-LJQANCHMSA-N 2 2 354.542 4.159 20 0 FIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000538723931 1111274598 /nfs/dbraw/zinc/27/45/98/1111274598.db2.gz HGCIVKYKTQGGIM-LJQANCHMSA-N 2 2 354.542 4.159 20 0 FIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000538723931 1111274601 /nfs/dbraw/zinc/27/46/01/1111274601.db2.gz HGCIVKYKTQGGIM-LJQANCHMSA-N 2 2 354.542 4.159 20 0 FIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000538723931 1111274603 /nfs/dbraw/zinc/27/46/03/1111274603.db2.gz HGCIVKYKTQGGIM-LJQANCHMSA-N 2 2 354.542 4.159 20 0 FIADLP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000538797862 1111295796 /nfs/dbraw/zinc/29/57/96/1111295796.db2.gz BWHXQIQPBFVCOY-JXFKEZNVSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000538797862 1111295800 /nfs/dbraw/zinc/29/58/00/1111295800.db2.gz BWHXQIQPBFVCOY-JXFKEZNVSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1cccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000538797862 1111295804 /nfs/dbraw/zinc/29/58/04/1111295804.db2.gz BWHXQIQPBFVCOY-JXFKEZNVSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1cccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000538797862 1111295809 /nfs/dbraw/zinc/29/58/09/1111295809.db2.gz BWHXQIQPBFVCOY-JXFKEZNVSA-N 2 2 370.928 4.179 20 0 FIADLP Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000539049636 1111399440 /nfs/dbraw/zinc/39/94/40/1111399440.db2.gz MQCKCYYGUOIECY-YADHBBJMSA-N 2 2 365.521 4.339 20 0 FIADLP Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000539049634 1111399625 /nfs/dbraw/zinc/39/96/25/1111399625.db2.gz MQCKCYYGUOIECY-FGZHOGPDSA-N 2 2 365.521 4.339 20 0 FIADLP Cc1ccc([C@H]2OCCC[C@@H]2[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544172205 1111439668 /nfs/dbraw/zinc/43/96/68/1111439668.db2.gz WQGYUZWZVOVRAH-VQTJNVASSA-N 2 2 353.491 4.252 20 0 FIADLP CC[NH+]1CCC([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000462030690 1111474046 /nfs/dbraw/zinc/47/40/46/1111474046.db2.gz ICXAZMNIIMSXNP-UHFFFAOYSA-N 3 2 374.532 4.172 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(F)cc2F)CC1 ZINC000552275395 1111656071 /nfs/dbraw/zinc/65/60/71/1111656071.db2.gz UXXGWICJGYKTJQ-DLBZAZTESA-N 2 2 373.491 4.496 20 0 FIADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000552497374 1111724334 /nfs/dbraw/zinc/72/43/34/1111724334.db2.gz IOMOORADZOXTNE-CRAIPNDOSA-N 2 2 350.453 4.045 20 0 FIADLP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000552497374 1111724340 /nfs/dbraw/zinc/72/43/40/1111724340.db2.gz IOMOORADZOXTNE-CRAIPNDOSA-N 2 2 350.453 4.045 20 0 FIADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000552497374 1111724343 /nfs/dbraw/zinc/72/43/43/1111724343.db2.gz IOMOORADZOXTNE-CRAIPNDOSA-N 2 2 350.453 4.045 20 0 FIADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000552497374 1111724350 /nfs/dbraw/zinc/72/43/50/1111724350.db2.gz IOMOORADZOXTNE-CRAIPNDOSA-N 2 2 350.453 4.045 20 0 FIADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000479263973 1111978952 /nfs/dbraw/zinc/97/89/52/1111978952.db2.gz ARGYMHZIXIXWPF-OAHLLOKOSA-N 2 2 362.315 4.257 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(Cl)ccc1OC(F)F)CCC2 ZINC000553507939 1111991158 /nfs/dbraw/zinc/99/11/58/1111991158.db2.gz OVNIEUBESKUBKF-GFCCVEGCSA-N 2 2 355.816 4.114 20 0 FIADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)c[nH+]1 ZINC000479351087 1111996049 /nfs/dbraw/zinc/99/60/49/1111996049.db2.gz OETKOAVXCHPTLT-OAQYLSRUSA-N 2 2 369.472 4.225 20 0 FIADLP C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000479368140 1112002108 /nfs/dbraw/zinc/00/21/08/1112002108.db2.gz YEKUWRGMSZIQCO-KBPBESRZSA-N 2 2 371.282 4.442 20 0 FIADLP Brc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)s1 ZINC000553575190 1112013073 /nfs/dbraw/zinc/01/30/73/1112013073.db2.gz FXFQGLITZJIBQS-UHFFFAOYSA-N 2 2 362.296 4.045 20 0 FIADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479491366 1112044826 /nfs/dbraw/zinc/04/48/26/1112044826.db2.gz PYDCPJXRKNYDQI-HTWSVDAQSA-N 2 2 356.407 4.208 20 0 FIADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)CCCC(F)(F)F)CC2)c1 ZINC000480335548 1112386893 /nfs/dbraw/zinc/38/68/93/1112386893.db2.gz OAUBLOSDUBVOGK-SFHVURJKSA-N 2 2 371.491 4.218 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(Br)c(Cl)s1)CCC2 ZINC000480381634 1112405543 /nfs/dbraw/zinc/40/55/43/1112405543.db2.gz HIJDAWFUHOWWLA-JTQLQIEISA-N 2 2 374.735 4.336 20 0 FIADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1nccn1-c1ccccc1 ZINC000480392163 1112411567 /nfs/dbraw/zinc/41/15/67/1112411567.db2.gz CZLMVGWPQBGIEN-PMACEKPBSA-N 2 2 374.532 4.119 20 0 FIADLP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]CCCc3ccncc3)C2)cc1 ZINC000554843292 1112518666 /nfs/dbraw/zinc/51/86/66/1112518666.db2.gz LYZVADCSKDFHCI-LOSJGSFVSA-N 2 2 371.528 4.272 20 0 FIADLP c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]CCCc3ccncc3)C2)cc1 ZINC000554843292 1112518670 /nfs/dbraw/zinc/51/86/70/1112518670.db2.gz LYZVADCSKDFHCI-LOSJGSFVSA-N 2 2 371.528 4.272 20 0 FIADLP Clc1sc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1Br ZINC000480645847 1112520054 /nfs/dbraw/zinc/52/00/54/1112520054.db2.gz PXJQBXIIYMASKH-UHFFFAOYSA-N 2 2 363.752 4.271 20 0 FIADLP Cc1ccc2nc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cn2c1 ZINC000554839720 1112524327 /nfs/dbraw/zinc/52/43/27/1112524327.db2.gz LRAIYWPLTGPCQD-NRFANRHFSA-N 2 2 362.521 4.033 20 0 FIADLP Cc1ccc2nc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)cn2c1 ZINC000554839720 1112524331 /nfs/dbraw/zinc/52/43/31/1112524331.db2.gz LRAIYWPLTGPCQD-NRFANRHFSA-N 2 2 362.521 4.033 20 0 FIADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2nc3cccc(Cl)c3n2C)CC1 ZINC000480692046 1112548545 /nfs/dbraw/zinc/54/85/45/1112548545.db2.gz FOAYUYUNRLFIOQ-BEFAXECRSA-N 2 2 374.960 4.359 20 0 FIADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H](C)Cn3cc[nH+]c3)s2)cc1 ZINC000480774877 1112599189 /nfs/dbraw/zinc/59/91/89/1112599189.db2.gz WOECPPNVZUPXHU-KGLIPLIRSA-N 2 2 356.495 4.063 20 0 FIADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H](C)Cn3cc[nH+]c3)s2)cc1 ZINC000480774878 1112599261 /nfs/dbraw/zinc/59/92/61/1112599261.db2.gz WOECPPNVZUPXHU-UONOGXRCSA-N 2 2 356.495 4.063 20 0 FIADLP Cc1ccc(C[N@@H+](C)[C@@H]2CCC[NH+](Cc3ccc(C)nc3C)CC2)c(C)n1 ZINC000480841644 1112629129 /nfs/dbraw/zinc/62/91/29/1112629129.db2.gz BXHFLAPPINWFTP-HSZRJFAPSA-N 2 2 366.553 4.197 20 0 FIADLP Cc1ccc(C[N@H+](C)[C@@H]2CCC[NH+](Cc3ccc(C)nc3C)CC2)c(C)n1 ZINC000480841644 1112629132 /nfs/dbraw/zinc/62/91/32/1112629132.db2.gz BXHFLAPPINWFTP-HSZRJFAPSA-N 2 2 366.553 4.197 20 0 FIADLP Cc1ccc(C[NH+](C)[C@@H]2CCC[N@H+](Cc3ccc(C)nc3C)CC2)c(C)n1 ZINC000480841644 1112629134 /nfs/dbraw/zinc/62/91/34/1112629134.db2.gz BXHFLAPPINWFTP-HSZRJFAPSA-N 2 2 366.553 4.197 20 0 FIADLP Cc1ccc(C[NH+](C)[C@@H]2CCC[N@@H+](Cc3ccc(C)nc3C)CC2)c(C)n1 ZINC000480841644 1112629136 /nfs/dbraw/zinc/62/91/36/1112629136.db2.gz BXHFLAPPINWFTP-HSZRJFAPSA-N 2 2 366.553 4.197 20 0 FIADLP CC(C)c1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000481314980 1112900044 /nfs/dbraw/zinc/90/00/44/1112900044.db2.gz MDWWMSJHIUVUII-IBGZPJMESA-N 2 2 352.522 4.493 20 0 FIADLP C[C@H](COc1ccc(F)cc1F)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481542646 1112973895 /nfs/dbraw/zinc/97/38/95/1112973895.db2.gz JUMGCACKNHTOBU-HUUCEWRRSA-N 2 2 357.404 4.269 20 0 FIADLP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000481943034 1113136158 /nfs/dbraw/zinc/13/61/58/1113136158.db2.gz DYASQBIGVUHUCK-CEMLEFRQSA-N 2 2 369.553 4.163 20 0 FIADLP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000481943034 1113136163 /nfs/dbraw/zinc/13/61/63/1113136163.db2.gz DYASQBIGVUHUCK-CEMLEFRQSA-N 2 2 369.553 4.163 20 0 FIADLP COc1ccccc1/C=C/C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000482045027 1113162299 /nfs/dbraw/zinc/16/22/99/1113162299.db2.gz RMXZCPHGLCURGA-VQHVLOKHSA-N 2 2 360.567 4.050 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000482636417 1113321713 /nfs/dbraw/zinc/32/17/13/1113321713.db2.gz WGVKNLNQTKICRO-GOSISDBHSA-N 2 2 367.537 4.289 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c(Cl)s2)C[C@H]1C ZINC000483278895 1113479162 /nfs/dbraw/zinc/47/91/62/1113479162.db2.gz DSJGTYBDTSOFBL-MNOVXSKESA-N 2 2 365.768 4.469 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c(Cl)s2)C[C@H]1C ZINC000483278895 1113479163 /nfs/dbraw/zinc/47/91/63/1113479163.db2.gz DSJGTYBDTSOFBL-MNOVXSKESA-N 2 2 365.768 4.469 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)c(Cl)s2)C[C@H]1C ZINC000483278895 1113479166 /nfs/dbraw/zinc/47/91/66/1113479166.db2.gz DSJGTYBDTSOFBL-MNOVXSKESA-N 2 2 365.768 4.469 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)c(Cl)s2)C[C@H]1C ZINC000483278895 1113479167 /nfs/dbraw/zinc/47/91/67/1113479167.db2.gz DSJGTYBDTSOFBL-MNOVXSKESA-N 2 2 365.768 4.469 20 0 FIADLP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000483289766 1113480922 /nfs/dbraw/zinc/48/09/22/1113480922.db2.gz AKEFBBSZBQAAJS-OAQYLSRUSA-N 2 2 358.574 4.014 20 0 FIADLP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000483289766 1113480924 /nfs/dbraw/zinc/48/09/24/1113480924.db2.gz AKEFBBSZBQAAJS-OAQYLSRUSA-N 2 2 358.574 4.014 20 0 FIADLP C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486522050 1113587961 /nfs/dbraw/zinc/58/79/61/1113587961.db2.gz XHAFRASCEYEUTA-NQIIRXRSSA-N 2 2 360.505 4.077 20 0 FIADLP C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486522050 1113587965 /nfs/dbraw/zinc/58/79/65/1113587965.db2.gz XHAFRASCEYEUTA-NQIIRXRSSA-N 2 2 360.505 4.077 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCOc3cc4c(cc31)CCCC4)CCC2 ZINC000489553959 1114131728 /nfs/dbraw/zinc/13/17/28/1114131728.db2.gz VIIZQPHAKNEECI-PZJWPPBQSA-N 2 2 365.521 4.451 20 0 FIADLP c1cc(-c2nc3ccccc3s2)oc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490028289 1114204279 /nfs/dbraw/zinc/20/42/79/1114204279.db2.gz GTYNEZJOAFLDMR-FQEVSTJZSA-N 2 2 353.491 4.132 20 0 FIADLP c1cc(-c2nc3ccccc3s2)oc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490028289 1114204282 /nfs/dbraw/zinc/20/42/82/1114204282.db2.gz GTYNEZJOAFLDMR-FQEVSTJZSA-N 2 2 353.491 4.132 20 0 FIADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)CO2 ZINC000571680118 1114490165 /nfs/dbraw/zinc/49/01/65/1114490165.db2.gz IZJBCKKDRABNRX-UYAOXDASSA-N 2 2 352.453 4.046 20 0 FIADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)CO2 ZINC000571680118 1114490170 /nfs/dbraw/zinc/49/01/70/1114490170.db2.gz IZJBCKKDRABNRX-UYAOXDASSA-N 2 2 352.453 4.046 20 0 FIADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000572047555 1114595610 /nfs/dbraw/zinc/59/56/10/1114595610.db2.gz MOKOUDXJSGNSGZ-CQSZACIVSA-N 2 2 364.474 4.279 20 0 FIADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000572047555 1114595614 /nfs/dbraw/zinc/59/56/14/1114595614.db2.gz MOKOUDXJSGNSGZ-CQSZACIVSA-N 2 2 364.474 4.279 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000573102539 1115050168 /nfs/dbraw/zinc/05/01/68/1115050168.db2.gz ORYOCYYYMUSDEO-HKUYNNGSSA-N 2 2 350.462 4.367 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000573102539 1115050170 /nfs/dbraw/zinc/05/01/70/1115050170.db2.gz ORYOCYYYMUSDEO-HKUYNNGSSA-N 2 2 350.462 4.367 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@H]1c1ccccc1 ZINC000574624091 1115429521 /nfs/dbraw/zinc/42/95/21/1115429521.db2.gz HOQPEPGMJRQEHT-GMAHTHKFSA-N 3 2 355.570 4.209 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@H]1c1ccccc1 ZINC000574624091 1115429522 /nfs/dbraw/zinc/42/95/22/1115429522.db2.gz HOQPEPGMJRQEHT-GMAHTHKFSA-N 3 2 355.570 4.209 20 0 FIADLP c1nc2ccccc2n1-c1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000606469803 1115948060 /nfs/dbraw/zinc/94/80/60/1115948060.db2.gz KLHDPVXVAHCVRU-UHFFFAOYSA-N 2 2 371.488 4.402 20 0 FIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCOC(C)(C)C)CC1 ZINC000533957514 1115977328 /nfs/dbraw/zinc/97/73/28/1115977328.db2.gz JKPHIZMRBPXXDU-UHFFFAOYSA-N 2 2 372.475 4.417 20 0 FIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCOC(C)(C)C)CC1 ZINC000533957514 1115977329 /nfs/dbraw/zinc/97/73/29/1115977329.db2.gz JKPHIZMRBPXXDU-UHFFFAOYSA-N 2 2 372.475 4.417 20 0 FIADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2ccc3c(c2)OCCO3)CCCC1)c1ccccc1 ZINC000606914710 1115983113 /nfs/dbraw/zinc/98/31/13/1115983113.db2.gz VXWMVXFVQRWUQQ-GOSISDBHSA-N 2 2 366.505 4.211 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC[N@@H+]1C ZINC000608061569 1116079768 /nfs/dbraw/zinc/07/97/68/1116079768.db2.gz YYRDXNGPZQSGOC-CZUORRHYSA-N 2 2 363.299 4.281 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC[N@H+]1C ZINC000608061569 1116079770 /nfs/dbraw/zinc/07/97/70/1116079770.db2.gz YYRDXNGPZQSGOC-CZUORRHYSA-N 2 2 363.299 4.281 20 0 FIADLP CCOc1cc2[nH+]ccc(N3CCC[C@@H](n4cc[nH+]c4)C3)c2cc1OCC ZINC000608083111 1116081190 /nfs/dbraw/zinc/08/11/90/1116081190.db2.gz QDTZHQRZDMYKGS-MRXNPFEDSA-N 2 2 366.465 4.070 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000534349818 1116187680 /nfs/dbraw/zinc/18/76/80/1116187680.db2.gz NDYZOKANENIHCO-IRLDBZIGSA-N 2 2 366.553 4.018 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000534349818 1116187681 /nfs/dbraw/zinc/18/76/81/1116187681.db2.gz NDYZOKANENIHCO-IRLDBZIGSA-N 2 2 366.553 4.018 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000534349818 1116187682 /nfs/dbraw/zinc/18/76/82/1116187682.db2.gz NDYZOKANENIHCO-IRLDBZIGSA-N 2 2 366.553 4.018 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000534349818 1116187683 /nfs/dbraw/zinc/18/76/83/1116187683.db2.gz NDYZOKANENIHCO-IRLDBZIGSA-N 2 2 366.553 4.018 20 0 FIADLP CCC[NH+]1CCC([NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000535508705 1116313947 /nfs/dbraw/zinc/31/39/47/1116313947.db2.gz VQNNLWFSMQXPDN-MRXNPFEDSA-N 2 2 355.295 4.040 20 0 FIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2cccc(CO)c2)CCCC1)c1ccccc1 ZINC000535512582 1116314541 /nfs/dbraw/zinc/31/45/41/1116314541.db2.gz ZZJWQXBALZFFDD-RBUKOAKNSA-N 2 2 352.522 4.493 20 0 FIADLP C[N@@H+](Cc1cccc(OC(C)(C)C)n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508853591 1116340204 /nfs/dbraw/zinc/34/02/04/1116340204.db2.gz BAOXCFFOWSDIKW-HXUWFJFHSA-N 2 2 367.537 4.213 20 0 FIADLP C[N@H+](Cc1cccc(OC(C)(C)C)n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508853591 1116340205 /nfs/dbraw/zinc/34/02/05/1116340205.db2.gz BAOXCFFOWSDIKW-HXUWFJFHSA-N 2 2 367.537 4.213 20 0 FIADLP C[NH+](Cc1cccc(OC(C)(C)C)n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508853591 1116340206 /nfs/dbraw/zinc/34/02/06/1116340206.db2.gz BAOXCFFOWSDIKW-HXUWFJFHSA-N 2 2 367.537 4.213 20 0 FIADLP C[NH+](Cc1cccc(OC(C)(C)C)n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508853591 1116340207 /nfs/dbraw/zinc/34/02/07/1116340207.db2.gz BAOXCFFOWSDIKW-HXUWFJFHSA-N 2 2 367.537 4.213 20 0 FIADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428788743 1116343265 /nfs/dbraw/zinc/34/32/65/1116343265.db2.gz SAZVQACHSNEYKY-KBXCAEBGSA-N 2 2 367.415 4.062 20 0 FIADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428788743 1116343267 /nfs/dbraw/zinc/34/32/67/1116343267.db2.gz SAZVQACHSNEYKY-KBXCAEBGSA-N 2 2 367.415 4.062 20 0 FIADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428788746 1116343415 /nfs/dbraw/zinc/34/34/15/1116343415.db2.gz SAZVQACHSNEYKY-KSSFIOAISA-N 2 2 367.415 4.062 20 0 FIADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428788746 1116343416 /nfs/dbraw/zinc/34/34/16/1116343416.db2.gz SAZVQACHSNEYKY-KSSFIOAISA-N 2 2 367.415 4.062 20 0 FIADLP COc1ccc([C@@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)C(C)C)cc1 ZINC000539658711 1116360789 /nfs/dbraw/zinc/36/07/89/1116360789.db2.gz FVEKJZFBASRVPM-UGKGYDQZSA-N 2 2 368.525 4.040 20 0 FIADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1Cl ZINC000539658796 1116360806 /nfs/dbraw/zinc/36/08/06/1116360806.db2.gz HVDQUAOYAYFAMN-CJNGLKHVSA-N 2 2 362.880 4.188 20 0 FIADLP Cc1c2ccccc2oc1[C@@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000539660064 1116361138 /nfs/dbraw/zinc/36/11/38/1116361138.db2.gz SXWIOZZEUYBHNJ-SJLPKXTDSA-N 2 2 364.493 4.450 20 0 FIADLP Cc1ccc2c(c1)[C@@H](Nc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)CCC2 ZINC000539687514 1116364971 /nfs/dbraw/zinc/36/49/71/1116364971.db2.gz FRSDJOVJHXJLRO-QFIPXVFZSA-N 2 2 364.537 4.410 20 0 FIADLP C[C@@H](CCc1ccccc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539689818 1116366154 /nfs/dbraw/zinc/36/61/54/1116366154.db2.gz RAMKFDLZGRMZNK-SFHVURJKSA-N 2 2 352.526 4.045 20 0 FIADLP C[C@H](c1ccccc1)[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539691057 1116366348 /nfs/dbraw/zinc/36/63/48/1116366348.db2.gz WJOSNVSISZNDJM-ROUUACIJSA-N 2 2 352.526 4.216 20 0 FIADLP CCOc1cccc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000539819718 1116384639 /nfs/dbraw/zinc/38/46/39/1116384639.db2.gz MWXBIXGDWUPMJP-UHFFFAOYSA-N 2 2 353.510 4.219 20 0 FIADLP CCOc1cccc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000539819718 1116384641 /nfs/dbraw/zinc/38/46/41/1116384641.db2.gz MWXBIXGDWUPMJP-UHFFFAOYSA-N 2 2 353.510 4.219 20 0 FIADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OCCC(C)C ZINC000539817847 1116384683 /nfs/dbraw/zinc/38/46/83/1116384683.db2.gz UAQFCQJUPWVPQQ-HXUWFJFHSA-N 2 2 360.542 4.038 20 0 FIADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OCCC(C)C ZINC000539817847 1116384685 /nfs/dbraw/zinc/38/46/85/1116384685.db2.gz UAQFCQJUPWVPQQ-HXUWFJFHSA-N 2 2 360.542 4.038 20 0 FIADLP CCCOc1c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cccc1OCC ZINC000539822250 1116386123 /nfs/dbraw/zinc/38/61/23/1116386123.db2.gz KRHPWYNSNXANFA-HXUWFJFHSA-N 2 2 360.542 4.324 20 0 FIADLP CCCOc1c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cccc1OCC ZINC000539822250 1116386126 /nfs/dbraw/zinc/38/61/26/1116386126.db2.gz KRHPWYNSNXANFA-HXUWFJFHSA-N 2 2 360.542 4.324 20 0 FIADLP COc1ccc(F)cc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000462783169 1117765155 /nfs/dbraw/zinc/76/51/55/1117765155.db2.gz JVUJAMRTFAWBPV-FQEVSTJZSA-N 2 2 353.441 4.179 20 0 FIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000462791145 1117773628 /nfs/dbraw/zinc/77/36/28/1117773628.db2.gz QPTDKWXPUKDMQX-FQEVSTJZSA-N 2 2 360.542 4.171 20 0 FIADLP C[C@@H](CCc1ccsc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000462790240 1117774139 /nfs/dbraw/zinc/77/41/39/1117774139.db2.gz HRSOMILGOGZVGQ-INIZCTEOSA-N 2 2 358.555 4.107 20 0 FIADLP CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000462792458 1117775704 /nfs/dbraw/zinc/77/57/04/1117775704.db2.gz NTICWVYCHAIXDS-UHFFFAOYSA-N 2 2 363.461 4.117 20 0 FIADLP Cc1[nH+]ccn1CCCNc1cc(C)[nH+]c2c(OC(F)(F)F)cccc12 ZINC000462866287 1117824781 /nfs/dbraw/zinc/82/47/81/1117824781.db2.gz LIKZZNMXYCOAPM-UHFFFAOYSA-N 2 2 364.371 4.449 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc(Cl)c1Cl ZINC000540157856 1117901966 /nfs/dbraw/zinc/90/19/66/1117901966.db2.gz QLEDUKVHCHDUJO-JCURWCKSSA-N 2 2 357.325 4.022 20 0 FIADLP Cc1ccc(CSCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000463139524 1117986693 /nfs/dbraw/zinc/98/66/93/1117986693.db2.gz HTLCWYMWEQAMNF-UHFFFAOYSA-N 2 2 360.489 4.235 20 0 FIADLP COc1ccc(F)cc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463148672 1117991890 /nfs/dbraw/zinc/99/18/90/1117991890.db2.gz XMDXQWSHINMDNM-INIZCTEOSA-N 2 2 374.475 4.331 20 0 FIADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506327686 1118002887 /nfs/dbraw/zinc/00/28/87/1118002887.db2.gz RACKDLKFXLXGLZ-UHFFFAOYSA-N 2 2 368.569 4.161 20 0 FIADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506327686 1118002893 /nfs/dbraw/zinc/00/28/93/1118002893.db2.gz RACKDLKFXLXGLZ-UHFFFAOYSA-N 2 2 368.569 4.161 20 0 FIADLP CCC[NH+](CCC)CCC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000540460144 1118065995 /nfs/dbraw/zinc/06/59/95/1118065995.db2.gz BPEFDXGGZISTLM-NRFANRHFSA-N 3 2 373.585 4.076 20 0 FIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000540594382 1118138457 /nfs/dbraw/zinc/13/84/57/1118138457.db2.gz SUVPFNSYQHVDAO-KRWDZBQOSA-N 2 2 358.526 4.455 20 0 FIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1OC(F)(F)F ZINC000541534478 1118552631 /nfs/dbraw/zinc/55/26/31/1118552631.db2.gz QZDKSYXHNXWJOH-UHFFFAOYSA-N 2 2 367.396 4.464 20 0 FIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1OC(F)(F)F ZINC000541534478 1118552632 /nfs/dbraw/zinc/55/26/32/1118552632.db2.gz QZDKSYXHNXWJOH-UHFFFAOYSA-N 2 2 367.396 4.464 20 0 FIADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541552984 1118559957 /nfs/dbraw/zinc/55/99/57/1118559957.db2.gz YLNSQRRLHCLXRB-HXOBKFHXSA-N 2 2 363.480 4.395 20 0 FIADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541552984 1118559961 /nfs/dbraw/zinc/55/99/61/1118559961.db2.gz YLNSQRRLHCLXRB-HXOBKFHXSA-N 2 2 363.480 4.395 20 0 FIADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464571126 1118606098 /nfs/dbraw/zinc/60/60/98/1118606098.db2.gz CMYIJYGKCJJNHD-UHFFFAOYSA-N 2 2 368.706 4.056 20 0 FIADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464571126 1118606099 /nfs/dbraw/zinc/60/60/99/1118606099.db2.gz CMYIJYGKCJJNHD-UHFFFAOYSA-N 2 2 368.706 4.056 20 0 FIADLP CC(C)Oc1ccccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464828052 1118713197 /nfs/dbraw/zinc/71/31/97/1118713197.db2.gz BCILTTZLCDLPKU-OAQYLSRUSA-N 2 2 352.522 4.428 20 0 FIADLP CC(C)Oc1ccccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464828052 1118713199 /nfs/dbraw/zinc/71/31/99/1118713199.db2.gz BCILTTZLCDLPKU-OAQYLSRUSA-N 2 2 352.522 4.428 20 0 FIADLP CC(C)Oc1ccccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464828052 1118713201 /nfs/dbraw/zinc/71/32/01/1118713201.db2.gz BCILTTZLCDLPKU-OAQYLSRUSA-N 2 2 352.522 4.428 20 0 FIADLP CC(C)Oc1ccccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464828052 1118713203 /nfs/dbraw/zinc/71/32/03/1118713203.db2.gz BCILTTZLCDLPKU-OAQYLSRUSA-N 2 2 352.522 4.428 20 0 FIADLP c1cn(-c2csc(C[NH2+][C@H]3CCCc4cn(C5CCCC5)nc43)c2)c[nH+]1 ZINC000542309029 1118896551 /nfs/dbraw/zinc/89/65/51/1118896551.db2.gz DIHHLIMZGHRDGT-IBGZPJMESA-N 2 2 367.522 4.413 20 0 FIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000183711759 1119579960 /nfs/dbraw/zinc/57/99/60/1119579960.db2.gz SLTSQVBBNZKSSL-OAHLLOKOSA-N 2 2 374.326 4.159 20 0 FIADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000185428874 1119662408 /nfs/dbraw/zinc/66/24/08/1119662408.db2.gz XDNQHJJBFSIDAE-UHFFFAOYSA-N 2 2 365.452 4.156 20 0 FIADLP COc1ccccc1[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)OC(C)C ZINC000185724026 1119683474 /nfs/dbraw/zinc/68/34/74/1119683474.db2.gz JXXWDKTXKUARAI-QFIPXVFZSA-N 2 2 365.477 4.137 20 0 FIADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4ccccc4Cl)cs3)CC[C@@H]21 ZINC000187181318 1119771381 /nfs/dbraw/zinc/77/13/81/1119771381.db2.gz LYIPAMKGZDMVNF-KDOFPFPSSA-N 2 2 361.942 4.380 20 0 FIADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4ccccc4Cl)cs3)CC[C@@H]21 ZINC000187181318 1119771387 /nfs/dbraw/zinc/77/13/87/1119771387.db2.gz LYIPAMKGZDMVNF-KDOFPFPSSA-N 2 2 361.942 4.380 20 0 FIADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc(-c4ccccc4Cl)cs3)CC[C@@H]21 ZINC000187181318 1119771391 /nfs/dbraw/zinc/77/13/91/1119771391.db2.gz LYIPAMKGZDMVNF-KDOFPFPSSA-N 2 2 361.942 4.380 20 0 FIADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4ccccc4Cl)cs3)CC[C@@H]21 ZINC000187181318 1119771394 /nfs/dbraw/zinc/77/13/94/1119771394.db2.gz LYIPAMKGZDMVNF-KDOFPFPSSA-N 2 2 361.942 4.380 20 0 FIADLP CCC[NH+]1CCC([NH2+][C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000494462597 1119868182 /nfs/dbraw/zinc/86/81/82/1119868182.db2.gz BOOLWKXCZMFXLJ-OAHLLOKOSA-N 2 2 355.345 4.060 20 0 FIADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(Br)o2)CC1 ZINC000190784504 1119948815 /nfs/dbraw/zinc/94/88/15/1119948815.db2.gz ZVBWPKGUAODAHQ-UHFFFAOYSA-N 2 2 363.299 4.105 20 0 FIADLP Cc1cc([C@@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)c2cccnc2)ccc1F ZINC000542488452 1119965122 /nfs/dbraw/zinc/96/51/22/1119965122.db2.gz GOTSVJVGLDKOMJ-PGRDOPGGSA-N 2 2 355.501 4.473 20 0 FIADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cnn1C(C)C ZINC000191330121 1119971637 /nfs/dbraw/zinc/97/16/37/1119971637.db2.gz LPIIEFABZOQSNQ-LQWHRVPQSA-N 2 2 354.542 4.476 20 0 FIADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cnn1C(C)C ZINC000191330121 1119971638 /nfs/dbraw/zinc/97/16/38/1119971638.db2.gz LPIIEFABZOQSNQ-LQWHRVPQSA-N 2 2 354.542 4.476 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191461634 1119978691 /nfs/dbraw/zinc/97/86/91/1119978691.db2.gz PUIAJEDDIZNOIX-GOSISDBHSA-N 2 2 365.521 4.186 20 0 FIADLP Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1C)CCC2 ZINC000192104551 1120019171 /nfs/dbraw/zinc/01/91/71/1120019171.db2.gz KUFJRYZVLSGNBV-LJQANCHMSA-N 2 2 352.507 4.455 20 0 FIADLP Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1C)CCC2 ZINC000192104551 1120019176 /nfs/dbraw/zinc/01/91/76/1120019176.db2.gz KUFJRYZVLSGNBV-LJQANCHMSA-N 2 2 352.507 4.455 20 0 FIADLP c1coc(-c2ncc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)s2)c1 ZINC000192975301 1120093105 /nfs/dbraw/zinc/09/31/05/1120093105.db2.gz JQNXIIJYNGBLBG-UHFFFAOYSA-N 2 2 353.491 4.157 20 0 FIADLP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194733113 1120299253 /nfs/dbraw/zinc/29/92/53/1120299253.db2.gz OSUIHDJDDGUMRX-OAHLLOKOSA-N 2 2 362.468 4.300 20 0 FIADLP CC(C)[NH2+]C1CC[NH+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000494991249 1120414685 /nfs/dbraw/zinc/41/46/85/1120414685.db2.gz BWXOGMKQZMGYIX-UHFFFAOYSA-N 2 2 366.431 4.058 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000494993116 1120421677 /nfs/dbraw/zinc/42/16/77/1120421677.db2.gz BBCKQEBWXPGUCS-ZIFCJYIRSA-N 2 2 351.485 4.097 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000494993116 1120421679 /nfs/dbraw/zinc/42/16/79/1120421679.db2.gz BBCKQEBWXPGUCS-ZIFCJYIRSA-N 2 2 351.485 4.097 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495431939 1120817057 /nfs/dbraw/zinc/81/70/57/1120817057.db2.gz GALCVQMOGDVRFX-MIZPHKNDSA-N 3 2 374.532 4.434 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495431939 1120817060 /nfs/dbraw/zinc/81/70/60/1120817060.db2.gz GALCVQMOGDVRFX-MIZPHKNDSA-N 3 2 374.532 4.434 20 0 FIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000237778245 1120984249 /nfs/dbraw/zinc/98/42/49/1120984249.db2.gz YISDMSIWLARHLT-QSNWEANLSA-N 2 2 368.521 4.302 20 0 FIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000237778245 1120984252 /nfs/dbraw/zinc/98/42/52/1120984252.db2.gz YISDMSIWLARHLT-QSNWEANLSA-N 2 2 368.521 4.302 20 0 FIADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC001168496898 1121003280 /nfs/dbraw/zinc/00/32/80/1121003280.db2.gz KCMCOSVUVWCFGQ-NZQKXSOJSA-N 2 2 370.512 4.140 20 0 FIADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC001168496898 1121003284 /nfs/dbraw/zinc/00/32/84/1121003284.db2.gz KCMCOSVUVWCFGQ-NZQKXSOJSA-N 2 2 370.512 4.140 20 0 FIADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282125983 1121259613 /nfs/dbraw/zinc/25/96/13/1121259613.db2.gz RAJFLYOBLTZKOG-HOTGVXAUSA-N 2 2 350.466 4.301 20 0 FIADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282125983 1121259617 /nfs/dbraw/zinc/25/96/17/1121259617.db2.gz RAJFLYOBLTZKOG-HOTGVXAUSA-N 2 2 350.466 4.301 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-c2ccc(F)cc2)s1 ZINC000765791500 1121995631 /nfs/dbraw/zinc/99/56/31/1121995631.db2.gz LJYDVMAJGOCGHQ-JCGIZDLHSA-N 2 2 360.498 4.068 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-c2ccc(F)cc2)s1 ZINC000765791500 1121995634 /nfs/dbraw/zinc/99/56/34/1121995634.db2.gz LJYDVMAJGOCGHQ-JCGIZDLHSA-N 2 2 360.498 4.068 20 0 FIADLP CC(C)O[C@H]1C[C@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)C1(C)C ZINC000765803786 1122055603 /nfs/dbraw/zinc/05/56/03/1122055603.db2.gz DEOBWXXJFNGXSV-SFTDATJTSA-N 2 2 359.558 4.221 20 0 FIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000155617741 1122077554 /nfs/dbraw/zinc/07/75/54/1122077554.db2.gz UVPCUPVNWLFZQE-OAHLLOKOSA-N 2 2 368.868 4.273 20 0 FIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2nc3ccccc3n2C)CC1 ZINC000091287538 1122139932 /nfs/dbraw/zinc/13/99/32/1122139932.db2.gz SBEQFKZKWVJXSA-GOSISDBHSA-N 2 2 362.521 4.197 20 0 FIADLP COc1ccc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C(C)C)cc1 ZINC000091287845 1122140403 /nfs/dbraw/zinc/14/04/03/1122140403.db2.gz LOBAQDFKYRBZPN-QHCPKHFHSA-N 2 2 368.521 4.014 20 0 FIADLP Cc1nc(C)c(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC001649117890 1122191231 /nfs/dbraw/zinc/19/12/31/1122191231.db2.gz SYYATUGCWZDASM-UHFFFAOYSA-N 2 2 372.472 4.493 20 0 FIADLP COc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CCCS2 ZINC000497384348 1122193556 /nfs/dbraw/zinc/19/35/56/1122193556.db2.gz GSJKSXDLXQSUQR-LJQANCHMSA-N 2 2 369.534 4.276 20 0 FIADLP Clc1cccc2c1OCCC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000497411974 1122221476 /nfs/dbraw/zinc/22/14/76/1122221476.db2.gz VASQWZHTEJHCBJ-SFHVURJKSA-N 2 2 357.885 4.207 20 0 FIADLP Fc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1OCC(F)(F)F ZINC000542702196 1122302820 /nfs/dbraw/zinc/30/28/20/1122302820.db2.gz QYWXLPXDCZCWGD-INIZCTEOSA-N 2 2 374.422 4.075 20 0 FIADLP Fc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1OCC(F)(F)F ZINC000542702196 1122302827 /nfs/dbraw/zinc/30/28/27/1122302827.db2.gz QYWXLPXDCZCWGD-INIZCTEOSA-N 2 2 374.422 4.075 20 0 FIADLP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444796140 1122622739 /nfs/dbraw/zinc/62/27/39/1122622739.db2.gz VUFZALSWUYORIU-HIFRSBDPSA-N 2 2 371.872 4.064 20 0 FIADLP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444796140 1122622741 /nfs/dbraw/zinc/62/27/41/1122622741.db2.gz VUFZALSWUYORIU-HIFRSBDPSA-N 2 2 371.872 4.064 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)s2)C[C@@H]1c1ccccc1 ZINC000556057384 1122628326 /nfs/dbraw/zinc/62/83/26/1122628326.db2.gz CBLCPJILSVMHMQ-GDBMZVCRSA-N 2 2 365.340 4.436 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)s2)C[C@@H]1c1ccccc1 ZINC000556057384 1122628328 /nfs/dbraw/zinc/62/83/28/1122628328.db2.gz CBLCPJILSVMHMQ-GDBMZVCRSA-N 2 2 365.340 4.436 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000556217751 1122735992 /nfs/dbraw/zinc/73/59/92/1122735992.db2.gz OILOOCJVAPQIRZ-JXFKEZNVSA-N 2 2 359.464 4.194 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000556217751 1122735995 /nfs/dbraw/zinc/73/59/95/1122735995.db2.gz OILOOCJVAPQIRZ-JXFKEZNVSA-N 2 2 359.464 4.194 20 0 FIADLP FC(F)(F)[C@H](CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000556214442 1122741786 /nfs/dbraw/zinc/74/17/86/1122741786.db2.gz CCCSOAPOLDUFMI-GOSISDBHSA-N 2 2 363.427 4.376 20 0 FIADLP CC(C)CCn1cccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000131087327 1122974722 /nfs/dbraw/zinc/97/47/22/1122974722.db2.gz REAQUSLUDCYXOB-IBGZPJMESA-N 2 2 354.542 4.244 20 0 FIADLP Cc1ccc2c(c1)[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCCO2 ZINC000132207259 1123230005 /nfs/dbraw/zinc/23/00/05/1123230005.db2.gz ZWLRJUGWWLVMQP-OAQYLSRUSA-N 2 2 361.489 4.286 20 0 FIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000132244603 1123235000 /nfs/dbraw/zinc/23/50/00/1123235000.db2.gz GLYOLKOTPKCUMB-LJQANCHMSA-N 2 2 371.488 4.010 20 0 FIADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](Nc2ccc(N4CCCC4)[nH+]c2)C3)cc1 ZINC000499190563 1123318154 /nfs/dbraw/zinc/31/81/54/1123318154.db2.gz NNYRSBIMACTDIB-KOUNCHBCSA-N 2 2 362.521 4.289 20 0 FIADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](Nc2ccc(N4CCCC4)[nH+]c2)C3)cc1 ZINC000499190563 1123318162 /nfs/dbraw/zinc/31/81/62/1123318162.db2.gz NNYRSBIMACTDIB-KOUNCHBCSA-N 2 2 362.521 4.289 20 0 FIADLP CC(C)[NH+](CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000499237450 1123349612 /nfs/dbraw/zinc/34/96/12/1123349612.db2.gz MZOIJGFTXIAOKN-WBDAEOGXSA-N 3 2 357.586 4.281 20 0 FIADLP CC(C)[NH+](CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000499237450 1123349615 /nfs/dbraw/zinc/34/96/15/1123349615.db2.gz MZOIJGFTXIAOKN-WBDAEOGXSA-N 3 2 357.586 4.281 20 0 FIADLP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000074319798 1123350774 /nfs/dbraw/zinc/35/07/74/1123350774.db2.gz AYNYMUKQJBKGBU-UHFFFAOYSA-N 2 2 365.949 4.031 20 0 FIADLP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000074319798 1123350778 /nfs/dbraw/zinc/35/07/78/1123350778.db2.gz AYNYMUKQJBKGBU-UHFFFAOYSA-N 2 2 365.949 4.031 20 0 FIADLP C[N@H+](CCCc1ccc(Cl)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969030 1123978980 /nfs/dbraw/zinc/97/89/80/1123978980.db2.gz WZZGXTLAOZUOFK-UHFFFAOYSA-N 2 2 371.956 4.307 20 0 FIADLP C[N@@H+](CCCc1ccc(Cl)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969030 1123978982 /nfs/dbraw/zinc/97/89/82/1123978982.db2.gz WZZGXTLAOZUOFK-UHFFFAOYSA-N 2 2 371.956 4.307 20 0 FIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474469781 1124157069 /nfs/dbraw/zinc/15/70/69/1124157069.db2.gz HUIQBRSHWHEJSR-FHERZECASA-N 2 2 355.448 4.397 20 0 FIADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CC[NH+](C4CCCC4)CC2)C3)cc1 ZINC000245706068 1124211135 /nfs/dbraw/zinc/21/11/35/1124211135.db2.gz MKZGEVNTEUQMQT-ULPXVVAUSA-N 3 2 367.581 4.179 20 0 FIADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CC[NH+](C4CCCC4)CC2)C3)cc1 ZINC000245706068 1124211137 /nfs/dbraw/zinc/21/11/37/1124211137.db2.gz MKZGEVNTEUQMQT-ULPXVVAUSA-N 3 2 367.581 4.179 20 0 FIADLP c1csc(-c2ncc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)s2)c1 ZINC000245730408 1124225379 /nfs/dbraw/zinc/22/53/79/1124225379.db2.gz FDECBGSRWFSZBL-YOEHRIQHSA-N 2 2 359.564 4.320 20 0 FIADLP c1csc(-c2ncc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)s2)c1 ZINC000245730408 1124225384 /nfs/dbraw/zinc/22/53/84/1124225384.db2.gz FDECBGSRWFSZBL-YOEHRIQHSA-N 2 2 359.564 4.320 20 0 FIADLP c1csc(-c2ncc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)s2)c1 ZINC000245730408 1124225387 /nfs/dbraw/zinc/22/53/87/1124225387.db2.gz FDECBGSRWFSZBL-YOEHRIQHSA-N 2 2 359.564 4.320 20 0 FIADLP c1csc(-c2ncc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)s2)c1 ZINC000245730408 1124225393 /nfs/dbraw/zinc/22/53/93/1124225393.db2.gz FDECBGSRWFSZBL-YOEHRIQHSA-N 2 2 359.564 4.320 20 0 FIADLP C[NH+](C)[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccs1 ZINC000245754494 1124241732 /nfs/dbraw/zinc/24/17/32/1124241732.db2.gz UPDBWZHKOGZTQE-PLACYPQZSA-N 2 2 369.578 4.136 20 0 FIADLP C[NH+](C)[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccs1 ZINC000245754494 1124241735 /nfs/dbraw/zinc/24/17/35/1124241735.db2.gz UPDBWZHKOGZTQE-PLACYPQZSA-N 2 2 369.578 4.136 20 0 FIADLP COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]CCCn2cc[nH+]c2)c1 ZINC001168644505 1124244963 /nfs/dbraw/zinc/24/49/63/1124244963.db2.gz MEQRHABEWSXWIT-HSZRJFAPSA-N 2 2 363.505 4.472 20 0 FIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246420096 1124498935 /nfs/dbraw/zinc/49/89/35/1124498935.db2.gz BYVPCXQRYIBINT-POAQFYNOSA-N 2 2 351.494 4.351 20 0 FIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246420096 1124498938 /nfs/dbraw/zinc/49/89/38/1124498938.db2.gz BYVPCXQRYIBINT-POAQFYNOSA-N 2 2 351.494 4.351 20 0 FIADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246420096 1124498942 /nfs/dbraw/zinc/49/89/42/1124498942.db2.gz BYVPCXQRYIBINT-POAQFYNOSA-N 2 2 351.494 4.351 20 0 FIADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246420096 1124498946 /nfs/dbraw/zinc/49/89/46/1124498946.db2.gz BYVPCXQRYIBINT-POAQFYNOSA-N 2 2 351.494 4.351 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000247054707 1124585902 /nfs/dbraw/zinc/58/59/02/1124585902.db2.gz PCLNNGMTQLGYMA-DYESRHJHSA-N 2 2 369.940 4.267 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000247054707 1124585908 /nfs/dbraw/zinc/58/59/08/1124585908.db2.gz PCLNNGMTQLGYMA-DYESRHJHSA-N 2 2 369.940 4.267 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000247090913 1124590328 /nfs/dbraw/zinc/59/03/28/1124590328.db2.gz RNMRIJAEMKSTHD-LAUBAEHRSA-N 2 2 365.546 4.339 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000247090913 1124590333 /nfs/dbraw/zinc/59/03/33/1124590333.db2.gz RNMRIJAEMKSTHD-LAUBAEHRSA-N 2 2 365.546 4.339 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000247110437 1124591283 /nfs/dbraw/zinc/59/12/83/1124591283.db2.gz QLXRRCHLYQRHOL-NTKDMRAZSA-N 2 2 359.517 4.278 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000247110437 1124591287 /nfs/dbraw/zinc/59/12/87/1124591287.db2.gz QLXRRCHLYQRHOL-NTKDMRAZSA-N 2 2 359.517 4.278 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000247152839 1124594494 /nfs/dbraw/zinc/59/44/94/1124594494.db2.gz SYHWZBSASMUKBD-CBZIJGRNSA-N 2 2 355.448 4.003 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000247152839 1124594500 /nfs/dbraw/zinc/59/45/00/1124594500.db2.gz SYHWZBSASMUKBD-CBZIJGRNSA-N 2 2 355.448 4.003 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000247149828 1124595266 /nfs/dbraw/zinc/59/52/66/1124595266.db2.gz XAAWHSCAMJDPHQ-PGRDOPGGSA-N 2 2 367.512 4.143 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000247149828 1124595274 /nfs/dbraw/zinc/59/52/74/1124595274.db2.gz XAAWHSCAMJDPHQ-PGRDOPGGSA-N 2 2 367.512 4.143 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000247149850 1124595519 /nfs/dbraw/zinc/59/55/19/1124595519.db2.gz XAAWHSCAMJDPHQ-XMSQKQJNSA-N 2 2 367.512 4.143 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000247149850 1124595524 /nfs/dbraw/zinc/59/55/24/1124595524.db2.gz XAAWHSCAMJDPHQ-XMSQKQJNSA-N 2 2 367.512 4.143 20 0 FIADLP COc1ccc(C[NH+]2CCC([NH2+][C@H]3Cc4cccc(Cl)c4C3)CC2)cc1 ZINC001168683876 1124800506 /nfs/dbraw/zinc/80/05/06/1124800506.db2.gz AYSQQOHXVDJBNB-IBGZPJMESA-N 2 2 370.924 4.070 20 0 FIADLP COc1ccccc1C[NH+]1CCC([NH2+][C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168686627 1124825445 /nfs/dbraw/zinc/82/54/45/1124825445.db2.gz ZJQLQVAHAJJOCM-IBGZPJMESA-N 2 2 370.924 4.070 20 0 FIADLP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000656247693 1124833115 /nfs/dbraw/zinc/83/31/15/1124833115.db2.gz BYBQIJWKZJLRMB-UHFFFAOYSA-N 2 2 360.933 4.139 20 0 FIADLP Cc1nn(-c2ccccc2Cl)cc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000656247693 1124833129 /nfs/dbraw/zinc/83/31/29/1124833129.db2.gz BYBQIJWKZJLRMB-UHFFFAOYSA-N 2 2 360.933 4.139 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000249269299 1124852662 /nfs/dbraw/zinc/85/26/62/1124852662.db2.gz JSPHZUDQIUDIGY-KYJSFNMBSA-N 2 2 355.448 4.318 20 0 FIADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000090667739 1125013329 /nfs/dbraw/zinc/01/33/29/1125013329.db2.gz SVQYVPNAGLZEJJ-XMSQKQJNSA-N 2 2 365.521 4.419 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000090667952 1125013360 /nfs/dbraw/zinc/01/33/60/1125013360.db2.gz BBXLSQGCDJZQGL-HTAPYJJXSA-N 2 2 367.562 4.227 20 0 FIADLP CCn1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000093318241 1125298930 /nfs/dbraw/zinc/29/89/30/1125298930.db2.gz BZEWVSLPWORQDB-UTKZUKDTSA-N 2 2 354.542 4.005 20 0 FIADLP CCn1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000093318241 1125298935 /nfs/dbraw/zinc/29/89/35/1125298935.db2.gz BZEWVSLPWORQDB-UTKZUKDTSA-N 2 2 354.542 4.005 20 0 FIADLP CCn1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000093318241 1125298937 /nfs/dbraw/zinc/29/89/37/1125298937.db2.gz BZEWVSLPWORQDB-UTKZUKDTSA-N 2 2 354.542 4.005 20 0 FIADLP CCn1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000093318241 1125298942 /nfs/dbraw/zinc/29/89/42/1125298942.db2.gz BZEWVSLPWORQDB-UTKZUKDTSA-N 2 2 354.542 4.005 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1nc2c(s1)CCCC2 ZINC000093396974 1125317794 /nfs/dbraw/zinc/31/77/94/1125317794.db2.gz UJKSKNITFJOFSS-OAHLLOKOSA-N 2 2 352.507 4.118 20 0 FIADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CCO1 ZINC000275498255 527512242 /nfs/dbraw/zinc/51/22/42/527512242.db2.gz JMMBSWWRLUXLPH-AVRDEDQJSA-N 2 2 363.461 4.222 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000563120073 568224825 /nfs/dbraw/zinc/22/48/25/568224825.db2.gz QNZOPSGHSADHDO-IRLDBZIGSA-N 3 2 355.570 4.038 20 0 FIADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000563120073 568224826 /nfs/dbraw/zinc/22/48/26/568224826.db2.gz QNZOPSGHSADHDO-IRLDBZIGSA-N 3 2 355.570 4.038 20 0 FIADLP C[C@@H]1CCCC[NH+]1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120073 568224828 /nfs/dbraw/zinc/22/48/28/568224828.db2.gz QNZOPSGHSADHDO-IRLDBZIGSA-N 3 2 355.570 4.038 20 0 FIADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(F)c1 ZINC000390844665 568322979 /nfs/dbraw/zinc/32/29/79/568322979.db2.gz DVOKCHBGGQOHJC-YADHBBJMSA-N 2 2 356.485 4.158 20 0 FIADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(F)c1 ZINC000390844665 568322980 /nfs/dbraw/zinc/32/29/80/568322980.db2.gz DVOKCHBGGQOHJC-YADHBBJMSA-N 2 2 356.485 4.158 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)s1 ZINC000390903019 568521362 /nfs/dbraw/zinc/52/13/62/568521362.db2.gz ITMJXXQAVHNZLC-WBVHZDCISA-N 2 2 364.942 4.343 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)s1 ZINC000390903019 568521363 /nfs/dbraw/zinc/52/13/63/568521363.db2.gz ITMJXXQAVHNZLC-WBVHZDCISA-N 2 2 364.942 4.343 20 0 FIADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(C4CC4)[nH+]3)C[C@@H]21 ZINC001165027550 721830228 /nfs/dbraw/zinc/83/02/28/721830228.db2.gz SPGRWOGLKOHKFN-RCZSKKKRSA-N 2 2 362.521 4.091 20 0 FIADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(C4CC4)[nH+]3)C[C@@H]21 ZINC001165027550 721830230 /nfs/dbraw/zinc/83/02/30/721830230.db2.gz SPGRWOGLKOHKFN-RCZSKKKRSA-N 2 2 362.521 4.091 20 0 FIADLP CCCc1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(C)[nH+]1 ZINC001164995320 722204307 /nfs/dbraw/zinc/20/43/07/722204307.db2.gz MDNVSRKOECZTDC-JOCHJYFZSA-N 2 2 368.500 4.122 20 0 FIADLP CCCc1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(C)[nH+]1 ZINC001164995320 722204312 /nfs/dbraw/zinc/20/43/12/722204312.db2.gz MDNVSRKOECZTDC-JOCHJYFZSA-N 2 2 368.500 4.122 20 0 FIADLP C[NH+](Cc1ccc([S@](C)=O)cc1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000093712724 1125501654 /nfs/dbraw/zinc/50/16/54/1125501654.db2.gz QYTGODXSIVSJJR-AREMUKBSSA-N 2 2 372.578 4.014 20 0 FIADLP C[NH+](Cc1ccc([S@](C)=O)cc1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000093712724 1125501660 /nfs/dbraw/zinc/50/16/60/1125501660.db2.gz QYTGODXSIVSJJR-AREMUKBSSA-N 2 2 372.578 4.014 20 0 FIADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000093712724 1125501668 /nfs/dbraw/zinc/50/16/68/1125501668.db2.gz QYTGODXSIVSJJR-AREMUKBSSA-N 2 2 372.578 4.014 20 0 FIADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000093712724 1125501672 /nfs/dbraw/zinc/50/16/72/1125501672.db2.gz QYTGODXSIVSJJR-AREMUKBSSA-N 2 2 372.578 4.014 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(SCC(F)F)cc1 ZINC000152738660 1125639875 /nfs/dbraw/zinc/63/98/75/1125639875.db2.gz NZRWREGAWZFCEG-CQSZACIVSA-N 2 2 365.493 4.470 20 0 FIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1Br ZINC000152759213 1125645887 /nfs/dbraw/zinc/64/58/87/1125645887.db2.gz PYFBJZQJYZITPZ-LBPRGKRZSA-N 2 2 366.278 4.014 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000152800734 1125654874 /nfs/dbraw/zinc/65/48/74/1125654874.db2.gz YYKNKRXTYCGJRQ-ROUUACIJSA-N 2 2 364.468 4.189 20 0 FIADLP Fc1cc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)ccc1Br ZINC000430244569 1080079314 /nfs/dbraw/zinc/07/93/14/1080079314.db2.gz PLZRHCQHVKEQPH-INIZCTEOSA-N 2 2 352.251 4.012 20 0 FIADLP Fc1cc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)ccc1Br ZINC000430244569 1080079323 /nfs/dbraw/zinc/07/93/23/1080079323.db2.gz PLZRHCQHVKEQPH-INIZCTEOSA-N 2 2 352.251 4.012 20 0 FIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@@H+]2CCC[C@H](C)CC2)c1=S ZINC000748084263 1080202151 /nfs/dbraw/zinc/20/21/51/1080202151.db2.gz TUIKBENDHUJICQ-DLBZAZTESA-N 2 2 367.607 4.306 20 0 FIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@H+]2CCC[C@H](C)CC2)c1=S ZINC000748084263 1080202161 /nfs/dbraw/zinc/20/21/61/1080202161.db2.gz TUIKBENDHUJICQ-DLBZAZTESA-N 2 2 367.607 4.306 20 0 FIADLP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC001167138937 1080681534 /nfs/dbraw/zinc/68/15/34/1080681534.db2.gz TUCBOMLPYUJXJY-RPWUZVMVSA-N 2 2 364.533 4.423 20 0 FIADLP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC001167138937 1080681543 /nfs/dbraw/zinc/68/15/43/1080681543.db2.gz TUCBOMLPYUJXJY-RPWUZVMVSA-N 2 2 364.533 4.423 20 0 FIADLP Cc1cccc([C@@H]2CCC[NH+]2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC001167138937 1080681550 /nfs/dbraw/zinc/68/15/50/1080681550.db2.gz TUCBOMLPYUJXJY-RPWUZVMVSA-N 2 2 364.533 4.423 20 0 FIADLP Cc1cccc([C@@H]2CCC[NH+]2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC001167138937 1080681555 /nfs/dbraw/zinc/68/15/55/1080681555.db2.gz TUCBOMLPYUJXJY-RPWUZVMVSA-N 2 2 364.533 4.423 20 0 FIADLP Cc1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)c(C)c1 ZINC000655703819 1081125090 /nfs/dbraw/zinc/12/50/90/1081125090.db2.gz LURRSRRLPPAJLY-UPVQGACJSA-N 2 2 364.533 4.236 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Oc1ccccc1 ZINC000655704748 1081126300 /nfs/dbraw/zinc/12/63/00/1081126300.db2.gz JZYYWDVDTBKYGL-QUCCMNQESA-N 2 2 366.505 4.383 20 0 FIADLP CC(C)(C)[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000655722558 1081140124 /nfs/dbraw/zinc/14/01/24/1081140124.db2.gz FBUBEZAUQPLTAB-XLIONFOSSA-N 2 2 366.496 4.285 20 0 FIADLP CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000655724122 1081141967 /nfs/dbraw/zinc/14/19/67/1081141967.db2.gz VVTHOZDSDHFUGT-XLIONFOSSA-N 2 2 352.469 4.039 20 0 FIADLP c1ccc(-c2ccc3c(c2)[C@@H]([NH2+]C2CC[NH+]([C@H]4CCOC4)CC2)CC3)cc1 ZINC000655756158 1081176601 /nfs/dbraw/zinc/17/66/01/1081176601.db2.gz PLLFVIFLZZDRHS-UPVQGACJSA-N 2 2 362.517 4.184 20 0 FIADLP Clc1cccc([C@@H]2CCC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)c1 ZINC000655775453 1081185114 /nfs/dbraw/zinc/18/51/14/1081185114.db2.gz XXSHCRIGDXFJLI-QMMLZNLJSA-N 2 2 362.945 4.209 20 0 FIADLP Cn1ccnc1[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000651961697 1081218971 /nfs/dbraw/zinc/21/89/71/1081218971.db2.gz JJYABKDLJJIBBD-QFIPXVFZSA-N 2 2 366.553 4.091 20 0 FIADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)(C)C)C1 ZINC001648828476 1081266143 /nfs/dbraw/zinc/26/61/43/1081266143.db2.gz CUUXXQINKSNYFI-MRXNPFEDSA-N 2 2 374.960 4.255 20 0 FIADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)(C)C)C1 ZINC001648828476 1081266149 /nfs/dbraw/zinc/26/61/49/1081266149.db2.gz CUUXXQINKSNYFI-MRXNPFEDSA-N 2 2 374.960 4.255 20 0 FIADLP Clc1c(Br)cccc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000706407603 1081527883 /nfs/dbraw/zinc/52/78/83/1081527883.db2.gz SWBCHUXRLZHKIN-GFCCVEGCSA-N 2 2 357.723 4.067 20 0 FIADLP Clc1c(Br)cccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000706407603 1081527886 /nfs/dbraw/zinc/52/78/86/1081527886.db2.gz SWBCHUXRLZHKIN-GFCCVEGCSA-N 2 2 357.723 4.067 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cnn(Cc2ccccc2)c1 ZINC000580381386 1081913233 /nfs/dbraw/zinc/91/32/33/1081913233.db2.gz ASZMVSITCSHOLL-LJQANCHMSA-N 2 2 371.488 4.027 20 0 FIADLP Brc1c2ccccc2oc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000656252230 1082019834 /nfs/dbraw/zinc/01/98/34/1082019834.db2.gz UKGHFCSJVSSBMT-UHFFFAOYSA-N 2 2 360.255 4.229 20 0 FIADLP Cc1[nH+]cc(CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)n1-c1ccccc1 ZINC000510390271 1082474893 /nfs/dbraw/zinc/47/48/93/1082474893.db2.gz BUKYKQKXIQFHOG-OPYAIIAOSA-N 2 2 352.526 4.018 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCc3ccc(SC)cc32)CC1 ZINC000581369857 1082498029 /nfs/dbraw/zinc/49/80/29/1082498029.db2.gz YKVORYUQESSRDX-FQEVSTJZSA-N 2 2 362.583 4.265 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000581877078 1082948485 /nfs/dbraw/zinc/94/84/85/1082948485.db2.gz LVVSWKVTLOATOQ-KBRIMQKVSA-N 2 2 361.942 4.284 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000581877078 1082948490 /nfs/dbraw/zinc/94/84/90/1082948490.db2.gz LVVSWKVTLOATOQ-KBRIMQKVSA-N 2 2 361.942 4.284 20 0 FIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000510525379 1083136955 /nfs/dbraw/zinc/13/69/55/1083136955.db2.gz NDMVLMHNWDQPIG-UHFFFAOYSA-N 2 2 374.488 4.071 20 0 FIADLP Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC000612122532 1083392799 /nfs/dbraw/zinc/39/27/99/1083392799.db2.gz USMDWDZZSHZVJE-HNNXBMFYSA-N 2 2 368.868 4.123 20 0 FIADLP Clc1ccccc1[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294480 1083398015 /nfs/dbraw/zinc/39/80/15/1083398015.db2.gz HXQLDNFSWHGYLE-HFSMHLIXSA-N 2 2 362.945 4.209 20 0 FIADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648669 1083463286 /nfs/dbraw/zinc/46/32/86/1083463286.db2.gz WQKAZDHVUYAYCS-UHFFFAOYSA-N 2 2 363.509 4.203 20 0 FIADLP Clc1cc(Br)ccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000133687879 1083490608 /nfs/dbraw/zinc/49/06/08/1083490608.db2.gz JABYHKCKHFZLEC-UHFFFAOYSA-N 2 2 371.750 4.410 20 0 FIADLP Cc1cccc([C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c2cccc(F)c2)c1 ZINC000510964620 1083544994 /nfs/dbraw/zinc/54/49/94/1083544994.db2.gz XYWUKAHBRJBPKN-CVDCTZTESA-N 2 2 370.512 4.314 20 0 FIADLP Cc1cccc([C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c2cccc(F)c2)c1 ZINC000510964620 1083545000 /nfs/dbraw/zinc/54/50/00/1083545000.db2.gz XYWUKAHBRJBPKN-CVDCTZTESA-N 2 2 370.512 4.314 20 0 FIADLP CC(C)[NH+]1CCC([NH2+]Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000892480008 1083660765 /nfs/dbraw/zinc/66/07/65/1083660765.db2.gz XCVQKUDMVOYVQI-UHFFFAOYSA-N 2 2 353.532 4.058 20 0 FIADLP c1cn(-c2csc(C[NH2+]C[C@H]3CCCO[C@H]3c3ccccc3)c2)c[nH+]1 ZINC001648924804 1084002839 /nfs/dbraw/zinc/00/28/39/1084002839.db2.gz SPEDUVFSSVZBLX-XLIONFOSSA-N 2 2 353.491 4.191 20 0 FIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1ccccc1-c1ccnn1C)c1ccccc1 ZINC000511023627 1084228271 /nfs/dbraw/zinc/22/82/71/1084228271.db2.gz AWCDBEBWSMJORN-GOSISDBHSA-N 2 2 362.521 4.306 20 0 FIADLP CCn1nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc21 ZINC000472080839 1084265152 /nfs/dbraw/zinc/26/51/52/1084265152.db2.gz UJUJCMSKYXSPBX-SEJPIABJSA-N 2 2 374.532 4.341 20 0 FIADLP CCn1nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc21 ZINC000472080839 1084265160 /nfs/dbraw/zinc/26/51/60/1084265160.db2.gz UJUJCMSKYXSPBX-SEJPIABJSA-N 2 2 374.532 4.341 20 0 FIADLP CSc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000173331461 1084614849 /nfs/dbraw/zinc/61/48/49/1084614849.db2.gz VGFPRZFJDLCSLT-KRWDZBQOSA-N 2 2 356.535 4.092 20 0 FIADLP c1ccc(N2CC[NH+](CCC[NH+]3CCC(C4CCCC4)CC3)CC2)cc1 ZINC001167549619 1084653905 /nfs/dbraw/zinc/65/39/05/1084653905.db2.gz OBBXTRYENPWXLD-UHFFFAOYSA-N 2 2 355.570 4.101 20 0 FIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2F)[C@@H]1c1cccs1 ZINC000657375125 1084792174 /nfs/dbraw/zinc/79/21/74/1084792174.db2.gz VDUVATMZFUJGSS-FZKQIMNGSA-N 2 2 354.441 4.338 20 0 FIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2F)[C@@H]1c1cccs1 ZINC000657375125 1084792182 /nfs/dbraw/zinc/79/21/82/1084792182.db2.gz VDUVATMZFUJGSS-FZKQIMNGSA-N 2 2 354.441 4.338 20 0 FIADLP CC1(C)CC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2cc(Br)ccc21 ZINC000582330765 1084878497 /nfs/dbraw/zinc/87/84/97/1084878497.db2.gz LCYNAUSORJFJCH-CZUORRHYSA-N 2 2 374.326 4.432 20 0 FIADLP COCc1csc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000657414409 1084954880 /nfs/dbraw/zinc/95/48/80/1084954880.db2.gz ODFBRLGAMRDPBK-HXUWFJFHSA-N 2 2 355.507 4.239 20 0 FIADLP Cc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000660659888 1085207024 /nfs/dbraw/zinc/20/70/24/1085207024.db2.gz ROHDYLYPUYEZPR-NRFANRHFSA-N 2 2 370.928 4.023 20 0 FIADLP Cc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000660659888 1085207031 /nfs/dbraw/zinc/20/70/31/1085207031.db2.gz ROHDYLYPUYEZPR-NRFANRHFSA-N 2 2 370.928 4.023 20 0 FIADLP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000660659888 1085207040 /nfs/dbraw/zinc/20/70/40/1085207040.db2.gz ROHDYLYPUYEZPR-NRFANRHFSA-N 2 2 370.928 4.023 20 0 FIADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000660659888 1085207047 /nfs/dbraw/zinc/20/70/47/1085207047.db2.gz ROHDYLYPUYEZPR-NRFANRHFSA-N 2 2 370.928 4.023 20 0 FIADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684957973 1085314616 /nfs/dbraw/zinc/31/46/16/1085314616.db2.gz RCZBTQUCVUXVLE-VQTJNVASSA-N 2 2 365.452 4.129 20 0 FIADLP CC[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000651822083 1085527869 /nfs/dbraw/zinc/52/78/69/1085527869.db2.gz KEWWFCAQSRAPLC-FCHUYYIVSA-N 2 2 357.542 4.168 20 0 FIADLP CC1(C)C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2cc(F)ccc2O1 ZINC000651949428 1085706351 /nfs/dbraw/zinc/70/63/51/1085706351.db2.gz LDSPWNDIBISSKT-GOSISDBHSA-N 2 2 355.457 4.082 20 0 FIADLP Cc1cc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)ccc1-c1ccccc1 ZINC000511925176 1085991561 /nfs/dbraw/zinc/99/15/61/1085991561.db2.gz GUCXUVNBPDTLJG-UHFFFAOYSA-N 2 2 351.519 4.470 20 0 FIADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000709636899 1086002460 /nfs/dbraw/zinc/00/24/60/1086002460.db2.gz QJDRAEPZZWSYSL-FDFHNCONSA-N 2 2 356.554 4.369 20 0 FIADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000709636899 1086002467 /nfs/dbraw/zinc/00/24/67/1086002467.db2.gz QJDRAEPZZWSYSL-FDFHNCONSA-N 2 2 356.554 4.369 20 0 FIADLP Cc1c(F)cccc1NC(=O)CC[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000583079166 1086160341 /nfs/dbraw/zinc/16/03/41/1086160341.db2.gz JWWVOZJHEZHXPB-KRWDZBQOSA-N 2 2 371.500 4.182 20 0 FIADLP C[C@@H]1[N@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)CCOC1(C)C ZINC001167658498 1086378989 /nfs/dbraw/zinc/37/89/89/1086378989.db2.gz IRCLDYZTTOHDDF-NZQKXSOJSA-N 2 2 366.549 4.402 20 0 FIADLP C[C@@H]1[N@@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)CCOC1(C)C ZINC001167658498 1086379012 /nfs/dbraw/zinc/37/90/12/1086379012.db2.gz IRCLDYZTTOHDDF-NZQKXSOJSA-N 2 2 366.549 4.402 20 0 FIADLP C[C@@H]1[NH+](C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CCOC1(C)C ZINC001167658498 1086379018 /nfs/dbraw/zinc/37/90/18/1086379018.db2.gz IRCLDYZTTOHDDF-NZQKXSOJSA-N 2 2 366.549 4.402 20 0 FIADLP C[C@@H]1[NH+](C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CCOC1(C)C ZINC001167658498 1086379031 /nfs/dbraw/zinc/37/90/31/1086379031.db2.gz IRCLDYZTTOHDDF-NZQKXSOJSA-N 2 2 366.549 4.402 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000663354288 1086456764 /nfs/dbraw/zinc/45/67/64/1086456764.db2.gz OJJJJCMISINWTG-QAPCUYQASA-N 2 2 363.427 4.243 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000663354288 1086456774 /nfs/dbraw/zinc/45/67/74/1086456774.db2.gz OJJJJCMISINWTG-QAPCUYQASA-N 2 2 363.427 4.243 20 0 FIADLP CC(C)[C@H](O)[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000657745662 1086465793 /nfs/dbraw/zinc/46/57/93/1086465793.db2.gz JOYMRONJULOLSS-ZEQRLZLVSA-N 2 2 366.549 4.041 20 0 FIADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662534290 1086488510 /nfs/dbraw/zinc/48/85/10/1086488510.db2.gz JTQVFYPZZRXUIH-SFHVURJKSA-N 2 2 360.461 4.016 20 0 FIADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Br)cc1 ZINC000152827724 1086519495 /nfs/dbraw/zinc/51/94/95/1086519495.db2.gz GUKREIRRWVXMLP-KRWDZBQOSA-N 2 2 362.315 4.265 20 0 FIADLP CCSc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000535990525 1086541326 /nfs/dbraw/zinc/54/13/26/1086541326.db2.gz DOLNGFWMPAODIN-SFHVURJKSA-N 2 2 370.562 4.482 20 0 FIADLP Nc1cccc2c1cc[nH+]c2NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000663482391 1086595907 /nfs/dbraw/zinc/59/59/07/1086595907.db2.gz LISVRGLREYYGMM-HNNXBMFYSA-N 2 2 352.507 4.203 20 0 FIADLP Nc1cccc2c1cc[nH+]c2NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000663482391 1086595916 /nfs/dbraw/zinc/59/59/16/1086595916.db2.gz LISVRGLREYYGMM-HNNXBMFYSA-N 2 2 352.507 4.203 20 0 FIADLP COc1cccc(-c2ccc(C[NH2+]Cc3ncc(C[NH+](C)C)s3)cc2)c1 ZINC000511995495 1086612323 /nfs/dbraw/zinc/61/23/23/1086612323.db2.gz ACTSKGBMMNWJLX-UHFFFAOYSA-N 2 2 367.518 4.170 20 0 FIADLP CC(C)C[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001648931031 1086623501 /nfs/dbraw/zinc/62/35/01/1086623501.db2.gz QHXSLCYFDIWALM-IRLDBZIGSA-N 2 2 374.569 4.092 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)s1 ZINC000512005340 1086633265 /nfs/dbraw/zinc/63/32/65/1086633265.db2.gz DCOVBBFEVTZASC-UHFFFAOYSA-N 2 2 369.456 4.393 20 0 FIADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CCCO1 ZINC000432423360 1086751374 /nfs/dbraw/zinc/75/13/74/1086751374.db2.gz JMMDHQOAFHNGTO-GCJKJVERSA-N 2 2 356.485 4.006 20 0 FIADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CCCO1 ZINC000432423360 1086751380 /nfs/dbraw/zinc/75/13/80/1086751380.db2.gz JMMDHQOAFHNGTO-GCJKJVERSA-N 2 2 356.485 4.006 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)CC1 ZINC000512177611 1086893318 /nfs/dbraw/zinc/89/33/18/1086893318.db2.gz GPFJHWXPVOMXBE-KRWDZBQOSA-N 2 2 358.555 4.082 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)CC1 ZINC000512177611 1086893333 /nfs/dbraw/zinc/89/33/33/1086893333.db2.gz GPFJHWXPVOMXBE-KRWDZBQOSA-N 2 2 358.555 4.082 20 0 FIADLP COc1cc(OC)cc(Oc2cccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)c2)c1 ZINC000583887995 1087013664 /nfs/dbraw/zinc/01/36/64/1087013664.db2.gz NWWYPSDRIFRQHC-WMZOPIPTSA-N 2 2 370.493 4.068 20 0 FIADLP COc1cc(OC)cc(Oc2cccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)c1 ZINC000583887995 1087013673 /nfs/dbraw/zinc/01/36/73/1087013673.db2.gz NWWYPSDRIFRQHC-WMZOPIPTSA-N 2 2 370.493 4.068 20 0 FIADLP c1cn(Cc2cccc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)c2)c[nH+]1 ZINC000151341469 1087091486 /nfs/dbraw/zinc/09/14/86/1087091486.db2.gz STCLBFFZJGNISC-NRFANRHFSA-N 2 2 359.473 4.468 20 0 FIADLP Cc1ccc(-n2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)c(C(C)(C)C)n2)cc1 ZINC000151359176 1087095373 /nfs/dbraw/zinc/09/53/73/1087095373.db2.gz HFLCFMYVOMFDTB-UHFFFAOYSA-N 2 2 366.553 4.195 20 0 FIADLP CC(C)[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc(F)cc(Br)c1 ZINC000657819945 1087124171 /nfs/dbraw/zinc/12/41/71/1087124171.db2.gz ZDNGJNWSNUPJBG-INIZCTEOSA-N 2 2 354.267 4.162 20 0 FIADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959387 1087288657 /nfs/dbraw/zinc/28/86/57/1087288657.db2.gz DGEJBZFIQGEMQR-MJGOQNOKSA-N 2 2 374.488 4.283 20 0 FIADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959387 1087288663 /nfs/dbraw/zinc/28/86/63/1087288663.db2.gz DGEJBZFIQGEMQR-MJGOQNOKSA-N 2 2 374.488 4.283 20 0 FIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000081631121 1087328551 /nfs/dbraw/zinc/32/85/51/1087328551.db2.gz QPVCNGUWAGFJAQ-MRXNPFEDSA-N 2 2 359.901 4.159 20 0 FIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000081631121 1087328559 /nfs/dbraw/zinc/32/85/59/1087328559.db2.gz QPVCNGUWAGFJAQ-MRXNPFEDSA-N 2 2 359.901 4.159 20 0 FIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000081631121 1087328561 /nfs/dbraw/zinc/32/85/61/1087328561.db2.gz QPVCNGUWAGFJAQ-MRXNPFEDSA-N 2 2 359.901 4.159 20 0 FIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000081631121 1087328566 /nfs/dbraw/zinc/32/85/66/1087328566.db2.gz QPVCNGUWAGFJAQ-MRXNPFEDSA-N 2 2 359.901 4.159 20 0 FIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2Oc2cccnc2)C1 ZINC000081635516 1087330007 /nfs/dbraw/zinc/33/00/07/1087330007.db2.gz ZMOHRFAUCAASDT-LJQANCHMSA-N 2 2 351.494 4.038 20 0 FIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2Oc2cccnc2)C1 ZINC000081635516 1087330010 /nfs/dbraw/zinc/33/00/10/1087330010.db2.gz ZMOHRFAUCAASDT-LJQANCHMSA-N 2 2 351.494 4.038 20 0 FIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000081635516 1087330018 /nfs/dbraw/zinc/33/00/18/1087330018.db2.gz ZMOHRFAUCAASDT-LJQANCHMSA-N 2 2 351.494 4.038 20 0 FIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000081635516 1087330020 /nfs/dbraw/zinc/33/00/20/1087330020.db2.gz ZMOHRFAUCAASDT-LJQANCHMSA-N 2 2 351.494 4.038 20 0 FIADLP COc1ccccc1[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC000090535126 1087412075 /nfs/dbraw/zinc/41/20/75/1087412075.db2.gz IDURWJSLCXWOTJ-JOCHJYFZSA-N 2 2 363.461 4.031 20 0 FIADLP CCC[NH+]1CCC(Nc2cccc(C[N@H+](C)Cc3cscn3)c2)CC1 ZINC000132311339 1087681498 /nfs/dbraw/zinc/68/14/98/1087681498.db2.gz LFXCRDTXFSXSBE-UHFFFAOYSA-N 2 2 358.555 4.061 20 0 FIADLP CCC[NH+]1CCC(Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)CC1 ZINC000132311339 1087681499 /nfs/dbraw/zinc/68/14/99/1087681499.db2.gz LFXCRDTXFSXSBE-UHFFFAOYSA-N 2 2 358.555 4.061 20 0 FIADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)c(Cl)c1 ZINC000658018824 1087699629 /nfs/dbraw/zinc/69/96/29/1087699629.db2.gz GEXQIAJGAQHZRJ-GXSJLCMTSA-N 2 2 354.679 4.034 20 0 FIADLP Cc1ccc(OCc2nc(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)cs2)cc1 ZINC000414812404 1088222964 /nfs/dbraw/zinc/22/29/64/1088222964.db2.gz REZNXASVQHYTQC-MRXNPFEDSA-N 2 2 367.518 4.340 20 0 FIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2c[nH]nc2-c2ccccc2F)cc1 ZINC000414821970 1088287672 /nfs/dbraw/zinc/28/76/72/1088287672.db2.gz DCFOOIPEVOEVFP-FQEVSTJZSA-N 2 2 352.457 4.129 20 0 FIADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504043 1088685917 /nfs/dbraw/zinc/68/59/17/1088685917.db2.gz RTALGWKULMKDBV-UWJYYQICSA-N 2 2 355.913 4.176 20 0 FIADLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504043 1088685933 /nfs/dbraw/zinc/68/59/33/1088685933.db2.gz RTALGWKULMKDBV-UWJYYQICSA-N 2 2 355.913 4.176 20 0 FIADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504043 1088685942 /nfs/dbraw/zinc/68/59/42/1088685942.db2.gz RTALGWKULMKDBV-UWJYYQICSA-N 2 2 355.913 4.176 20 0 FIADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504043 1088685954 /nfs/dbraw/zinc/68/59/54/1088685954.db2.gz RTALGWKULMKDBV-UWJYYQICSA-N 2 2 355.913 4.176 20 0 FIADLP c1c[nH]c([C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C2CCCCC2)n1 ZINC000514089651 1088733580 /nfs/dbraw/zinc/73/35/80/1088733580.db2.gz QLWFEAQEJDHGGG-NRFANRHFSA-N 2 2 363.509 4.108 20 0 FIADLP CO[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000514239411 1088934238 /nfs/dbraw/zinc/93/42/38/1088934238.db2.gz MOHKVHMXCAVTKV-HXUWFJFHSA-N 2 2 361.917 4.416 20 0 FIADLP Brc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434675515 1088942334 /nfs/dbraw/zinc/94/23/34/1088942334.db2.gz LFYCHQRJWWEBIN-UHFFFAOYSA-N 2 2 374.326 4.362 20 0 FIADLP CC(C)c1nnc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000892739473 1088989328 /nfs/dbraw/zinc/98/93/28/1088989328.db2.gz IMXUCGCTAFJJKH-UHFFFAOYSA-N 2 2 358.555 4.327 20 0 FIADLP CCn1nc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000312409588 1089062651 /nfs/dbraw/zinc/06/26/51/1089062651.db2.gz FVERTHZESRVZIE-FQEVSTJZSA-N 2 2 362.521 4.058 20 0 FIADLP CCn1nc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000312409588 1089062664 /nfs/dbraw/zinc/06/26/64/1089062664.db2.gz FVERTHZESRVZIE-FQEVSTJZSA-N 2 2 362.521 4.058 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235995 1089314170 /nfs/dbraw/zinc/31/41/70/1089314170.db2.gz TYVMBANGISUOPS-JFTIXFDTSA-N 2 2 364.533 4.059 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235995 1089314187 /nfs/dbraw/zinc/31/41/87/1089314187.db2.gz TYVMBANGISUOPS-JFTIXFDTSA-N 2 2 364.533 4.059 20 0 FIADLP Fc1ccc(/C=C/C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c(F)c1 ZINC000435388169 1089592302 /nfs/dbraw/zinc/59/23/02/1089592302.db2.gz DLQTYZXULRUOPA-DPZZJQGRSA-N 2 2 357.448 4.017 20 0 FIADLP Fc1ccc(/C=C/C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c(F)c1 ZINC000435388169 1089592318 /nfs/dbraw/zinc/59/23/18/1089592318.db2.gz DLQTYZXULRUOPA-DPZZJQGRSA-N 2 2 357.448 4.017 20 0 FIADLP CC(C)Oc1cccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435391520 1089600218 /nfs/dbraw/zinc/60/02/18/1089600218.db2.gz SSVWYKQVAUAVRY-OAQYLSRUSA-N 2 2 353.510 4.013 20 0 FIADLP CC(C)Oc1cccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435391520 1089600229 /nfs/dbraw/zinc/60/02/29/1089600229.db2.gz SSVWYKQVAUAVRY-OAQYLSRUSA-N 2 2 353.510 4.013 20 0 FIADLP Fc1ccc2oc(C[N@H+](Cc3nccs3)[C@H]3CC34CC[NH2+]CC4)cc2c1 ZINC000435433177 1089629436 /nfs/dbraw/zinc/62/94/36/1089629436.db2.gz QPWHGTMILDXRJX-SFHVURJKSA-N 2 2 371.481 4.173 20 0 FIADLP Fc1ccc2oc(C[N@@H+](Cc3nccs3)[C@H]3CC34CC[NH2+]CC4)cc2c1 ZINC000435433177 1089629452 /nfs/dbraw/zinc/62/94/52/1089629452.db2.gz QPWHGTMILDXRJX-SFHVURJKSA-N 2 2 371.481 4.173 20 0 FIADLP C[N@@H+](Cc1ccc(-c2ccccn2)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000425413983 1090011503 /nfs/dbraw/zinc/01/15/03/1090011503.db2.gz FHVLFDWZTHXDHV-JOCHJYFZSA-N 2 2 372.516 4.098 20 0 FIADLP C[N@H+](Cc1ccc(-c2ccccn2)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000425413983 1090011516 /nfs/dbraw/zinc/01/15/16/1090011516.db2.gz FHVLFDWZTHXDHV-JOCHJYFZSA-N 2 2 372.516 4.098 20 0 FIADLP C[NH+](Cc1ccc(-c2ccccn2)nc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425413983 1090011525 /nfs/dbraw/zinc/01/15/25/1090011525.db2.gz FHVLFDWZTHXDHV-JOCHJYFZSA-N 2 2 372.516 4.098 20 0 FIADLP C[NH+](Cc1ccc(-c2ccccn2)nc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425413983 1090011533 /nfs/dbraw/zinc/01/15/33/1090011533.db2.gz FHVLFDWZTHXDHV-JOCHJYFZSA-N 2 2 372.516 4.098 20 0 FIADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Br)cc1C(F)(F)F ZINC000188097760 1090169715 /nfs/dbraw/zinc/16/97/15/1090169715.db2.gz MYNQNOMFFVPBNP-SNVBAGLBSA-N 2 2 362.193 4.015 20 0 FIADLP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000545456776 1090383143 /nfs/dbraw/zinc/38/31/43/1090383143.db2.gz VECRCXMEBXUVMR-QRWLVFNGSA-N 2 2 359.901 4.070 20 0 FIADLP FC(F)(F)c1ccccc1OCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000544111007 1090385688 /nfs/dbraw/zinc/38/56/88/1090385688.db2.gz JRFFLQUHVPXETF-UHFFFAOYSA-N 2 2 367.396 4.121 20 0 FIADLP CSC1(C[N@H+](CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC1 ZINC000584681408 1090702069 /nfs/dbraw/zinc/70/20/69/1090702069.db2.gz AYHZQZMUXNLXTI-UHFFFAOYSA-N 2 2 367.921 4.464 20 0 FIADLP CSC1(C[N@@H+](CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC1 ZINC000584681408 1090702076 /nfs/dbraw/zinc/70/20/76/1090702076.db2.gz AYHZQZMUXNLXTI-UHFFFAOYSA-N 2 2 367.921 4.464 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nsc2ccccc21 ZINC000660306726 1090988920 /nfs/dbraw/zinc/98/89/20/1090988920.db2.gz UIIBWYZSJZKPOZ-QFBILLFUSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nsc2ccccc21 ZINC000660306726 1090988926 /nfs/dbraw/zinc/98/89/26/1090988926.db2.gz UIIBWYZSJZKPOZ-QFBILLFUSA-N 2 2 351.519 4.297 20 0 FIADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000390572011 1091272326 /nfs/dbraw/zinc/27/23/26/1091272326.db2.gz OOUGTWAETNJVFX-MJGOQNOKSA-N 2 2 358.551 4.252 20 0 FIADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000390572011 1091272335 /nfs/dbraw/zinc/27/23/35/1091272335.db2.gz OOUGTWAETNJVFX-MJGOQNOKSA-N 2 2 358.551 4.252 20 0 FIADLP Clc1ccc(C[C@@]2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCOC2)cc1 ZINC000500525857 1092187562 /nfs/dbraw/zinc/18/75/62/1092187562.db2.gz IRMHCUXNMALWIU-NRFANRHFSA-N 2 2 367.880 4.017 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000512379764 1092192835 /nfs/dbraw/zinc/19/28/35/1092192835.db2.gz OOLMNYSLCGLYBM-UHFFFAOYSA-N 2 2 363.889 4.240 20 0 FIADLP CCCc1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)o1 ZINC000428217732 1092269914 /nfs/dbraw/zinc/26/99/14/1092269914.db2.gz KLQDXYGIXCRBJG-QHCPKHFHSA-N 2 2 367.537 4.424 20 0 FIADLP CCCc1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)o1 ZINC000428217732 1092269925 /nfs/dbraw/zinc/26/99/25/1092269925.db2.gz KLQDXYGIXCRBJG-QHCPKHFHSA-N 2 2 367.537 4.424 20 0 FIADLP CCCc1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)o1 ZINC000428217732 1092269936 /nfs/dbraw/zinc/26/99/36/1092269936.db2.gz KLQDXYGIXCRBJG-QHCPKHFHSA-N 2 2 367.537 4.424 20 0 FIADLP CCCc1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)o1 ZINC000428217732 1092269950 /nfs/dbraw/zinc/26/99/50/1092269950.db2.gz KLQDXYGIXCRBJG-QHCPKHFHSA-N 2 2 367.537 4.424 20 0 FIADLP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000236632982 1092404715 /nfs/dbraw/zinc/40/47/15/1092404715.db2.gz CIOWEBBWLYSESF-MRXNPFEDSA-N 2 2 371.916 4.272 20 0 FIADLP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000521122480 1092500533 /nfs/dbraw/zinc/50/05/33/1092500533.db2.gz QVVOXPYYIWAIJK-PKOBYXMFSA-N 2 2 353.510 4.223 20 0 FIADLP c1sc(Cc2ccccc2)nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047973089 1092744088 /nfs/dbraw/zinc/74/40/88/1092744088.db2.gz BLWBOYDSPYFSBB-UHFFFAOYSA-N 2 2 355.551 4.042 20 0 FIADLP OCCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCCc2ccccc21 ZINC000544349002 1092752490 /nfs/dbraw/zinc/75/24/90/1092752490.db2.gz WEEUGRWZRMUDLP-OAQYLSRUSA-N 2 2 367.518 4.196 20 0 FIADLP OCCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCCc2ccccc21 ZINC000544349002 1092752495 /nfs/dbraw/zinc/75/24/95/1092752495.db2.gz WEEUGRWZRMUDLP-OAQYLSRUSA-N 2 2 367.518 4.196 20 0 FIADLP CCOC(=O)C1CCC([N@H+](CC)Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000521914298 1092977233 /nfs/dbraw/zinc/97/72/33/1092977233.db2.gz RDSNTXRUJGKBNC-UHFFFAOYSA-N 2 2 369.509 4.125 20 0 FIADLP CCOC(=O)C1CCC([N@@H+](CC)Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000521914298 1092977236 /nfs/dbraw/zinc/97/72/36/1092977236.db2.gz RDSNTXRUJGKBNC-UHFFFAOYSA-N 2 2 369.509 4.125 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(OC(F)F)c1 ZINC000152103941 1092986545 /nfs/dbraw/zinc/98/65/45/1092986545.db2.gz PKBKHLRAJHCOJO-HNNXBMFYSA-N 2 2 357.404 4.384 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419225692 1093063168 /nfs/dbraw/zinc/06/31/68/1093063168.db2.gz HOAKWNFMFIXJQJ-OAHLLOKOSA-N 2 2 370.884 4.183 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419225692 1093063178 /nfs/dbraw/zinc/06/31/78/1093063178.db2.gz HOAKWNFMFIXJQJ-OAHLLOKOSA-N 2 2 370.884 4.183 20 0 FIADLP CCC[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccsc1 ZINC000191222464 1093119892 /nfs/dbraw/zinc/11/98/92/1093119892.db2.gz ZUYKOKWBBKOCQW-NRFANRHFSA-N 2 2 374.550 4.090 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[NH+]3CCC([NH2+]C(C)C)CC3)o2)cc1 ZINC000614232543 1093264515 /nfs/dbraw/zinc/26/45/15/1093264515.db2.gz DLMCHTBXBXBICQ-UHFFFAOYSA-N 2 2 370.493 4.086 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cc(F)cc(F)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168025029 1093426854 /nfs/dbraw/zinc/42/68/54/1093426854.db2.gz AJSLOJGOVZBKKJ-KFVVBQDRSA-N 2 2 374.475 4.029 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cc(F)cc(F)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168025029 1093426862 /nfs/dbraw/zinc/42/68/62/1093426862.db2.gz AJSLOJGOVZBKKJ-KFVVBQDRSA-N 2 2 374.475 4.029 20 0 FIADLP C[C@@H]1CC([NH2+]Cc2nn(C)c3ccccc23)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168025211 1093427153 /nfs/dbraw/zinc/42/71/53/1093427153.db2.gz IZGOLFPLACCTGC-QZTJIDSGSA-N 2 2 362.521 4.105 20 0 FIADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000433305768 1093560212 /nfs/dbraw/zinc/56/02/12/1093560212.db2.gz QBSSBLIABCACSB-QGZVFWFLSA-N 2 2 367.415 4.144 20 0 FIADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000433305768 1093560214 /nfs/dbraw/zinc/56/02/14/1093560214.db2.gz QBSSBLIABCACSB-QGZVFWFLSA-N 2 2 367.415 4.144 20 0 FIADLP Cc1c(F)cccc1[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168031589 1093637578 /nfs/dbraw/zinc/63/75/78/1093637578.db2.gz ZZNBCXFJLXSHEX-PMTGJVGFSA-N 2 2 370.512 4.199 20 0 FIADLP Cc1c(F)cccc1[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168031589 1093637586 /nfs/dbraw/zinc/63/75/86/1093637586.db2.gz ZZNBCXFJLXSHEX-PMTGJVGFSA-N 2 2 370.512 4.199 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2ccc3ccccc3c2)CC1 ZINC000513064481 1093720486 /nfs/dbraw/zinc/72/04/86/1093720486.db2.gz MQGLYCADRBHASH-UHFFFAOYSA-N 2 2 350.428 4.389 20 0 FIADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2)c(C)c1 ZINC000026309252 1093736553 /nfs/dbraw/zinc/73/65/53/1093736553.db2.gz NILNWKIGEBYTJH-UHFFFAOYSA-N 2 2 371.488 4.142 20 0 FIADLP COc1ccccc1/C=C/C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513483040 1094149681 /nfs/dbraw/zinc/14/96/81/1094149681.db2.gz AOOOOVZRCQCTQA-XYOKQWHBSA-N 2 2 350.506 4.305 20 0 FIADLP COc1ccccc1/C=C/C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513483040 1094149687 /nfs/dbraw/zinc/14/96/87/1094149687.db2.gz AOOOOVZRCQCTQA-XYOKQWHBSA-N 2 2 350.506 4.305 20 0 FIADLP C[N@@H+](Cc1cccc(-c2ccncc2)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434011650 1094236839 /nfs/dbraw/zinc/23/68/39/1094236839.db2.gz MUNQTOZERBQIKT-ZEQRLZLVSA-N 2 2 372.516 4.268 20 0 FIADLP C[N@H+](Cc1cccc(-c2ccncc2)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434011650 1094236841 /nfs/dbraw/zinc/23/68/41/1094236841.db2.gz MUNQTOZERBQIKT-ZEQRLZLVSA-N 2 2 372.516 4.268 20 0 FIADLP C[NH+](Cc1cccc(-c2ccncc2)c1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434011650 1094236842 /nfs/dbraw/zinc/23/68/42/1094236842.db2.gz MUNQTOZERBQIKT-ZEQRLZLVSA-N 2 2 372.516 4.268 20 0 FIADLP C[NH+](Cc1cccc(-c2ccncc2)c1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434011650 1094236846 /nfs/dbraw/zinc/23/68/46/1094236846.db2.gz MUNQTOZERBQIKT-ZEQRLZLVSA-N 2 2 372.516 4.268 20 0 FIADLP COc1cccc2c1OC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042308 1094680385 /nfs/dbraw/zinc/68/03/85/1094680385.db2.gz YTUCJMAPTCNAIB-NZGUISNBSA-N 2 2 366.505 4.160 20 0 FIADLP COc1cccc2c1OC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042308 1094680391 /nfs/dbraw/zinc/68/03/91/1094680391.db2.gz YTUCJMAPTCNAIB-NZGUISNBSA-N 2 2 366.505 4.160 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCCC(F)(F)[C@H](F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168042585 1094699314 /nfs/dbraw/zinc/69/93/14/1094699314.db2.gz ZSBJSFOBXGPSEP-UKBAYJJMSA-N 2 2 354.460 4.497 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCCC(F)(F)[C@H](F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168042585 1094699328 /nfs/dbraw/zinc/69/93/28/1094699328.db2.gz ZSBJSFOBXGPSEP-UKBAYJJMSA-N 2 2 354.460 4.497 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+]2CCCC(F)(F)[C@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042585 1094699331 /nfs/dbraw/zinc/69/93/31/1094699331.db2.gz ZSBJSFOBXGPSEP-UKBAYJJMSA-N 2 2 354.460 4.497 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+]2CCCC(F)(F)[C@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042585 1094699335 /nfs/dbraw/zinc/69/93/35/1094699335.db2.gz ZSBJSFOBXGPSEP-UKBAYJJMSA-N 2 2 354.460 4.497 20 0 FIADLP FC(F)c1cccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000420303301 1094871043 /nfs/dbraw/zinc/87/10/43/1094871043.db2.gz CRJXHQBQXTUBIR-MRXNPFEDSA-N 2 2 363.477 4.225 20 0 FIADLP FC(F)c1cccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000420303301 1094871053 /nfs/dbraw/zinc/87/10/53/1094871053.db2.gz CRJXHQBQXTUBIR-MRXNPFEDSA-N 2 2 363.477 4.225 20 0 FIADLP Fc1cccc(F)c1-c1csc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420388440 1094908473 /nfs/dbraw/zinc/90/84/73/1094908473.db2.gz GZAIHYKDVBFLOY-DYVFJYSZSA-N 2 2 363.477 4.052 20 0 FIADLP Fc1cccc(F)c1-c1csc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420388440 1094908477 /nfs/dbraw/zinc/90/84/77/1094908477.db2.gz GZAIHYKDVBFLOY-DYVFJYSZSA-N 2 2 363.477 4.052 20 0 FIADLP CCc1[nH+]ccn1Cc1ccc(Br)cc1Cn1cc[nH+]c1CC ZINC000191928341 1094998137 /nfs/dbraw/zinc/99/81/37/1094998137.db2.gz OVQADQHSPRKWAH-UHFFFAOYSA-N 2 2 373.298 4.064 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1c(F)cccc1Cl ZINC000420951730 1095192900 /nfs/dbraw/zinc/19/29/00/1095192900.db2.gz TUDWHQYZGUCBFA-HNNXBMFYSA-N 2 2 362.876 4.162 20 0 FIADLP Fc1ccc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CCC2)cc1 ZINC000420943046 1095206366 /nfs/dbraw/zinc/20/63/66/1095206366.db2.gz WFIGHUHXYVXHSV-QHCPKHFHSA-N 2 2 368.496 4.289 20 0 FIADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000502305343 1095332861 /nfs/dbraw/zinc/33/28/61/1095332861.db2.gz BLQKZYFKCPXHKR-MAVJXHJTSA-N 2 2 357.448 4.390 20 0 FIADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000502305343 1095332893 /nfs/dbraw/zinc/33/28/93/1095332893.db2.gz BLQKZYFKCPXHKR-MAVJXHJTSA-N 2 2 357.448 4.390 20 0 FIADLP CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000502309260 1095357620 /nfs/dbraw/zinc/35/76/20/1095357620.db2.gz KUNCZPIEFBOLQD-KRWDZBQOSA-N 2 2 357.473 4.137 20 0 FIADLP CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000502309260 1095357632 /nfs/dbraw/zinc/35/76/32/1095357632.db2.gz KUNCZPIEFBOLQD-KRWDZBQOSA-N 2 2 357.473 4.137 20 0 FIADLP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c2O1 ZINC000502315538 1095366444 /nfs/dbraw/zinc/36/64/44/1095366444.db2.gz BGHHJISZHHJQDC-IBGZPJMESA-N 2 2 365.521 4.313 20 0 FIADLP CC1(C)Cc2cccc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c2O1 ZINC000502315538 1095366462 /nfs/dbraw/zinc/36/64/62/1095366462.db2.gz BGHHJISZHHJQDC-IBGZPJMESA-N 2 2 365.521 4.313 20 0 FIADLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1SC ZINC000502342594 1095380142 /nfs/dbraw/zinc/38/01/42/1095380142.db2.gz BTACDRASJSIUMO-QGZVFWFLSA-N 2 2 371.550 4.330 20 0 FIADLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1SC ZINC000502342594 1095380160 /nfs/dbraw/zinc/38/01/60/1095380160.db2.gz BTACDRASJSIUMO-QGZVFWFLSA-N 2 2 371.550 4.330 20 0 FIADLP COCCC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000281599648 1095658492 /nfs/dbraw/zinc/65/84/92/1095658492.db2.gz AEMQMZZXDVMZID-FQEVSTJZSA-N 2 2 353.441 4.269 20 0 FIADLP C[C@H]1CC([N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168050394 1095701295 /nfs/dbraw/zinc/70/12/95/1095701295.db2.gz AHBYWVYDJKFVAT-WFXMLNOXSA-N 2 2 372.553 4.234 20 0 FIADLP C[C@H]1CC([N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168050394 1095701305 /nfs/dbraw/zinc/70/13/05/1095701305.db2.gz AHBYWVYDJKFVAT-WFXMLNOXSA-N 2 2 372.553 4.234 20 0 FIADLP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1C ZINC000273240921 1096242310 /nfs/dbraw/zinc/24/23/10/1096242310.db2.gz YQQVFYSXEBDADW-MRXNPFEDSA-N 2 2 350.466 4.052 20 0 FIADLP Fc1ccc(OCCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503380191 1096379926 /nfs/dbraw/zinc/37/99/26/1096379926.db2.gz YOJFCUZRDIKETQ-QGZVFWFLSA-N 2 2 357.473 4.007 20 0 FIADLP Fc1ccc(OCCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503380191 1096379932 /nfs/dbraw/zinc/37/99/32/1096379932.db2.gz YOJFCUZRDIKETQ-QGZVFWFLSA-N 2 2 357.473 4.007 20 0 FIADLP CCCn1nccc1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000503437124 1096400799 /nfs/dbraw/zinc/40/07/99/1096400799.db2.gz WXNWIOXONUUNER-UHFFFAOYSA-N 2 2 363.509 4.167 20 0 FIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)[C@@H](C)C1 ZINC000503551381 1096468122 /nfs/dbraw/zinc/46/81/22/1096468122.db2.gz MDUNUYHCGJEMRK-GHTZIAJQSA-N 2 2 372.509 4.299 20 0 FIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)[C@@H](C)C1 ZINC000503551381 1096468126 /nfs/dbraw/zinc/46/81/26/1096468126.db2.gz MDUNUYHCGJEMRK-GHTZIAJQSA-N 2 2 372.509 4.299 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C/C(C)=C\c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000503559842 1096473821 /nfs/dbraw/zinc/47/38/21/1096473821.db2.gz NKPYSSBSMPSYNM-APKUOOJESA-N 2 2 366.553 4.228 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C/C(C)=C\c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000503559842 1096473824 /nfs/dbraw/zinc/47/38/24/1096473824.db2.gz NKPYSSBSMPSYNM-APKUOOJESA-N 2 2 366.553 4.228 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C/C(C)=C\c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000503559842 1096473825 /nfs/dbraw/zinc/47/38/25/1096473825.db2.gz NKPYSSBSMPSYNM-APKUOOJESA-N 2 2 366.553 4.228 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C/C(C)=C\c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000503559842 1096473827 /nfs/dbraw/zinc/47/38/27/1096473827.db2.gz NKPYSSBSMPSYNM-APKUOOJESA-N 2 2 366.553 4.228 20 0 FIADLP c1sc(CCc2ccccc2)nc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422851126 1096504575 /nfs/dbraw/zinc/50/45/75/1096504575.db2.gz OLIFPPPKAKLFRH-PWRODBHTSA-N 2 2 369.578 4.329 20 0 FIADLP C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F)c1c[nH+]ccc1N ZINC000422871903 1096517005 /nfs/dbraw/zinc/51/70/05/1096517005.db2.gz DVAWCEWVGNTZNX-MRVPVSSYSA-N 2 2 362.207 4.253 20 0 FIADLP Brc1ccccc1[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000423220375 1096620426 /nfs/dbraw/zinc/62/04/26/1096620426.db2.gz YHPXCCNJQQXFPZ-HNAYVOBHSA-N 2 2 359.311 4.128 20 0 FIADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(Cl)sc1Cl ZINC000423230239 1096624866 /nfs/dbraw/zinc/62/48/66/1096624866.db2.gz IWIVMRVFAPYDQP-JTQLQIEISA-N 2 2 357.310 4.033 20 0 FIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000423242457 1096626928 /nfs/dbraw/zinc/62/69/28/1096626928.db2.gz LZJWDQLTAOYCTG-QRWLVFNGSA-N 2 2 365.521 4.390 20 0 FIADLP COc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000423243714 1096627816 /nfs/dbraw/zinc/62/78/16/1096627816.db2.gz MVPJYOBONATMEH-DNVCBOLYSA-N 2 2 372.509 4.186 20 0 FIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423500563 1096699055 /nfs/dbraw/zinc/69/90/55/1096699055.db2.gz KLZCLZJCAFSUNR-USCONSEESA-N 2 2 356.485 4.145 20 0 FIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423500561 1096700040 /nfs/dbraw/zinc/70/00/40/1096700040.db2.gz KLZCLZJCAFSUNR-KNXBSLHKSA-N 2 2 356.485 4.145 20 0 FIADLP c1ccc(-c2ncc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cn2)cc1 ZINC000532951008 1098623955 /nfs/dbraw/zinc/62/39/55/1098623955.db2.gz HLAFPLCXIKHNDM-FQEVSTJZSA-N 2 2 364.537 4.232 20 0 FIADLP c1ccc(-c2ncc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cn2)cc1 ZINC000532951008 1098623959 /nfs/dbraw/zinc/62/39/59/1098623959.db2.gz HLAFPLCXIKHNDM-FQEVSTJZSA-N 2 2 364.537 4.232 20 0 FIADLP COc1ncc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1Cl ZINC000533557797 1099170069 /nfs/dbraw/zinc/17/00/69/1099170069.db2.gz UIYBRZIRYATPBN-VQIMIIECSA-N 2 2 373.928 4.229 20 0 FIADLP COc1ncc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1Cl ZINC000533557797 1099170074 /nfs/dbraw/zinc/17/00/74/1099170074.db2.gz UIYBRZIRYATPBN-VQIMIIECSA-N 2 2 373.928 4.229 20 0 FIADLP COc1ncc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1Cl ZINC000533557797 1099170078 /nfs/dbraw/zinc/17/00/78/1099170078.db2.gz UIYBRZIRYATPBN-VQIMIIECSA-N 2 2 373.928 4.229 20 0 FIADLP COc1ncc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1Cl ZINC000533557797 1099170081 /nfs/dbraw/zinc/17/00/81/1099170081.db2.gz UIYBRZIRYATPBN-VQIMIIECSA-N 2 2 373.928 4.229 20 0 FIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000437142906 1099653495 /nfs/dbraw/zinc/65/34/95/1099653495.db2.gz JZOQEAPAFMUZEG-UHFFFAOYSA-N 2 2 352.526 4.154 20 0 FIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000437142906 1099653498 /nfs/dbraw/zinc/65/34/98/1099653498.db2.gz JZOQEAPAFMUZEG-UHFFFAOYSA-N 2 2 352.526 4.154 20 0 FIADLP CC(C)(C)n1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(-c2ccccc2Cl)n1 ZINC000262125443 1099695362 /nfs/dbraw/zinc/69/53/62/1099695362.db2.gz XSSONYSYILYDAV-NRFANRHFSA-N 2 2 372.944 4.144 20 0 FIADLP CC(C)(C)n1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(-c2ccccc2Cl)n1 ZINC000262125443 1099695367 /nfs/dbraw/zinc/69/53/67/1099695367.db2.gz XSSONYSYILYDAV-NRFANRHFSA-N 2 2 372.944 4.144 20 0 FIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cccs1 ZINC000506025195 1099801892 /nfs/dbraw/zinc/80/18/92/1099801892.db2.gz CYVZBQSFOMDCRQ-UHFFFAOYSA-N 2 2 355.507 4.436 20 0 FIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cccs1 ZINC000506025195 1099801907 /nfs/dbraw/zinc/80/19/07/1099801907.db2.gz CYVZBQSFOMDCRQ-UHFFFAOYSA-N 2 2 355.507 4.436 20 0 FIADLP C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000459499981 1100237333 /nfs/dbraw/zinc/23/73/33/1100237333.db2.gz MSOSDIPBCKGCET-ANIGNSTFSA-N 2 2 359.473 4.080 20 0 FIADLP C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000459499989 1100237511 /nfs/dbraw/zinc/23/75/11/1100237511.db2.gz MSOSDIPBCKGCET-XBGMYJNYSA-N 2 2 359.473 4.080 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000536834946 1100346983 /nfs/dbraw/zinc/34/69/83/1100346983.db2.gz YUAWAHMAUFSGAA-ICSRJNTNSA-N 3 2 354.542 4.199 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000536834946 1100346991 /nfs/dbraw/zinc/34/69/91/1100346991.db2.gz YUAWAHMAUFSGAA-ICSRJNTNSA-N 3 2 354.542 4.199 20 0 FIADLP Clc1ccc2c(c1Cl)OC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000536875729 1100396302 /nfs/dbraw/zinc/39/63/02/1100396302.db2.gz JBYAJLKWMOKZGE-OAHLLOKOSA-N 2 2 364.276 4.081 20 0 FIADLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000414931661 1100677781 /nfs/dbraw/zinc/67/77/81/1100677781.db2.gz BYSSRJHJDBIVOR-HZMBPMFUSA-N 2 2 356.322 4.205 20 0 FIADLP c1cn(-c2ccc(C[NH2+]CCCO[C@H]3CCCc4ccccc43)cc2)c[nH+]1 ZINC000506308628 1100840916 /nfs/dbraw/zinc/84/09/16/1100840916.db2.gz QHIOYLWBIXFKQM-QHCPKHFHSA-N 2 2 361.489 4.446 20 0 FIADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414940910 1100857936 /nfs/dbraw/zinc/85/79/36/1100857936.db2.gz LAZQGQDNFXMZDT-WAIKUNEKSA-N 2 2 358.489 4.327 20 0 FIADLP Brc1cccc(-c2ccc(C[NH2+]CCCCn3cc[nH+]c3)o2)c1 ZINC000518263405 1101048366 /nfs/dbraw/zinc/04/83/66/1101048366.db2.gz NIBLMBRUKJCPIK-UHFFFAOYSA-N 2 2 374.282 4.476 20 0 FIADLP CCOc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000518542145 1101284115 /nfs/dbraw/zinc/28/41/15/1101284115.db2.gz LATLIOOBMDINAD-XLIONFOSSA-N 2 2 371.550 4.173 20 0 FIADLP CCOc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000518542145 1101284120 /nfs/dbraw/zinc/28/41/20/1101284120.db2.gz LATLIOOBMDINAD-XLIONFOSSA-N 2 2 371.550 4.173 20 0 FIADLP CCOc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000518542144 1101284593 /nfs/dbraw/zinc/28/45/93/1101284593.db2.gz LATLIOOBMDINAD-PXNSSMCTSA-N 2 2 371.550 4.173 20 0 FIADLP CCOc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000518542144 1101284605 /nfs/dbraw/zinc/28/46/05/1101284605.db2.gz LATLIOOBMDINAD-PXNSSMCTSA-N 2 2 371.550 4.173 20 0 FIADLP CCCCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000537016598 1101381152 /nfs/dbraw/zinc/38/11/52/1101381152.db2.gz PPPMZHFLNQOECG-PGRDOPGGSA-N 2 2 354.542 4.134 20 0 FIADLP CCCCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000537016598 1101381163 /nfs/dbraw/zinc/38/11/63/1101381163.db2.gz PPPMZHFLNQOECG-PGRDOPGGSA-N 2 2 354.542 4.134 20 0 FIADLP CCCCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000537016599 1101382111 /nfs/dbraw/zinc/38/21/11/1101382111.db2.gz PPPMZHFLNQOECG-XMSQKQJNSA-N 2 2 354.542 4.134 20 0 FIADLP CCCCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000537016599 1101382120 /nfs/dbraw/zinc/38/21/20/1101382120.db2.gz PPPMZHFLNQOECG-XMSQKQJNSA-N 2 2 354.542 4.134 20 0 FIADLP CC(C)[C@H](C[NH2+]Cc1ccnc2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000518768086 1101527870 /nfs/dbraw/zinc/52/78/70/1101527870.db2.gz FFHVWNQNVPASGD-DEOSSOPVSA-N 2 2 359.517 4.407 20 0 FIADLP CC(C)[C@H](C[NH2+]Cc1ccnc2ccccc12)[N@H+]1CCc2ccccc2C1 ZINC000518768086 1101527878 /nfs/dbraw/zinc/52/78/78/1101527878.db2.gz FFHVWNQNVPASGD-DEOSSOPVSA-N 2 2 359.517 4.407 20 0 FIADLP COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000506624525 1101596693 /nfs/dbraw/zinc/59/66/93/1101596693.db2.gz PPGBIGAYFPYIAN-HXUWFJFHSA-N 2 2 363.461 4.227 20 0 FIADLP COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000506624525 1101596699 /nfs/dbraw/zinc/59/66/99/1101596699.db2.gz PPGBIGAYFPYIAN-HXUWFJFHSA-N 2 2 363.461 4.227 20 0 FIADLP C[C@H]1C[C@H]1C[N@H+](Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000518848377 1101636477 /nfs/dbraw/zinc/63/64/77/1101636477.db2.gz CUBHVXITGSNHKC-HOCLYGCPSA-N 2 2 351.332 4.001 20 0 FIADLP C[C@H]1C[C@H]1C[N@@H+](Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000518848377 1101636487 /nfs/dbraw/zinc/63/64/87/1101636487.db2.gz CUBHVXITGSNHKC-HOCLYGCPSA-N 2 2 351.332 4.001 20 0 FIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](c3ccc(Cl)cc3)C3CC3)[nH+]c2)C1 ZINC000537456484 1101825294 /nfs/dbraw/zinc/82/52/94/1101825294.db2.gz RFJSBJWKYSIRKO-TZIWHRDSSA-N 2 2 370.928 4.439 20 0 FIADLP COc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2Cl)cc1OC ZINC000643465563 1102132307 /nfs/dbraw/zinc/13/23/07/1102132307.db2.gz WFBPJWJPWJELIK-HRAATJIYSA-N 2 2 374.912 4.178 20 0 FIADLP CCCCO[C@@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1(C)C ZINC000537486362 1102171376 /nfs/dbraw/zinc/17/13/76/1102171376.db2.gz ODJCRYYKQSOSOC-WOJBJXKFSA-N 2 2 374.573 4.008 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)[C@H](C)[NH3+] ZINC000415011826 1102249836 /nfs/dbraw/zinc/24/98/36/1102249836.db2.gz IKUNRONFNPMOTJ-NWDGAFQWSA-N 2 2 366.292 4.071 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000532441725 1102330847 /nfs/dbraw/zinc/33/08/47/1102330847.db2.gz FHAKPWRZKLRPMI-FCEUIQTBSA-N 2 2 367.537 4.059 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000532441725 1102330859 /nfs/dbraw/zinc/33/08/59/1102330859.db2.gz FHAKPWRZKLRPMI-FCEUIQTBSA-N 2 2 367.537 4.059 20 0 FIADLP CC(C)OCc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000532461422 1102365373 /nfs/dbraw/zinc/36/53/73/1102365373.db2.gz WTQOCAUTRJFGPZ-CVDCTZTESA-N 2 2 367.537 4.007 20 0 FIADLP CC(C)OCc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000532461422 1102365376 /nfs/dbraw/zinc/36/53/76/1102365376.db2.gz WTQOCAUTRJFGPZ-CVDCTZTESA-N 2 2 367.537 4.007 20 0 FIADLP Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000532477091 1102417373 /nfs/dbraw/zinc/41/73/73/1102417373.db2.gz VTELYTUUEGWYIV-HNNXBMFYSA-N 2 2 354.281 4.474 20 0 FIADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3sccc3NC(=O)OC(C)(C)C)C2)C1 ZINC000894621718 1102648759 /nfs/dbraw/zinc/64/87/59/1102648759.db2.gz COMJHOVTXKQFGP-IBGZPJMESA-N 2 2 365.543 4.013 20 0 FIADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3sccc3NC(=O)OC(C)(C)C)C2)C1 ZINC000894621718 1102648769 /nfs/dbraw/zinc/64/87/69/1102648769.db2.gz COMJHOVTXKQFGP-IBGZPJMESA-N 2 2 365.543 4.013 20 0 FIADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3sccc3NC(=O)OC(C)(C)C)C2)C1 ZINC000894621718 1102648775 /nfs/dbraw/zinc/64/87/75/1102648775.db2.gz COMJHOVTXKQFGP-IBGZPJMESA-N 2 2 365.543 4.013 20 0 FIADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3sccc3NC(=O)OC(C)(C)C)C2)C1 ZINC000894621718 1102648786 /nfs/dbraw/zinc/64/87/86/1102648786.db2.gz COMJHOVTXKQFGP-IBGZPJMESA-N 2 2 365.543 4.013 20 0 FIADLP COc1ccccc1C[C@H](C)[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000459316374 1102795997 /nfs/dbraw/zinc/79/59/97/1102795997.db2.gz AAXNOUWANPVFCF-IBGZPJMESA-N 2 2 363.505 4.105 20 0 FIADLP COc1ccccc1C[C@H](C)[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000459316374 1102796013 /nfs/dbraw/zinc/79/60/13/1102796013.db2.gz AAXNOUWANPVFCF-IBGZPJMESA-N 2 2 363.505 4.105 20 0 FIADLP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000551051130 1102864351 /nfs/dbraw/zinc/86/43/51/1102864351.db2.gz NSDBUMCRBQJDGP-VPWXQRGCSA-N 2 2 372.484 4.329 20 0 FIADLP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000551051130 1102864356 /nfs/dbraw/zinc/86/43/56/1102864356.db2.gz NSDBUMCRBQJDGP-VPWXQRGCSA-N 2 2 372.484 4.329 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000551198902 1102971693 /nfs/dbraw/zinc/97/16/93/1102971693.db2.gz RJECODFFBYPPFT-QHAWAJNXSA-N 2 2 358.913 4.453 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000551198902 1102971695 /nfs/dbraw/zinc/97/16/95/1102971695.db2.gz RJECODFFBYPPFT-QHAWAJNXSA-N 2 2 358.913 4.453 20 0 FIADLP C[N@H+](Cc1csc(Br)c1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000506949258 1102977888 /nfs/dbraw/zinc/97/78/88/1102977888.db2.gz VFHNIPSASHRVKW-UHFFFAOYSA-N 2 2 362.296 4.328 20 0 FIADLP C[N@@H+](Cc1csc(Br)c1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000506949258 1102977891 /nfs/dbraw/zinc/97/78/91/1102977891.db2.gz VFHNIPSASHRVKW-UHFFFAOYSA-N 2 2 362.296 4.328 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000551265724 1103026044 /nfs/dbraw/zinc/02/60/44/1103026044.db2.gz YTCOQDHPTBJQHU-UTKZUKDTSA-N 2 2 365.546 4.339 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000551265724 1103026061 /nfs/dbraw/zinc/02/60/61/1103026061.db2.gz YTCOQDHPTBJQHU-UTKZUKDTSA-N 2 2 365.546 4.339 20 0 FIADLP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1cn2ccccc2n1 ZINC000551301500 1103057445 /nfs/dbraw/zinc/05/74/45/1103057445.db2.gz KMCHBWYKLKRZDE-FHWLQOOXSA-N 2 2 362.521 4.142 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2(Cc3ccccc3)CCC2)CC1 ZINC000507493326 1103439394 /nfs/dbraw/zinc/43/93/94/1103439394.db2.gz HJTCHUQBRKVSIU-UHFFFAOYSA-N 2 2 354.460 4.406 20 0 FIADLP c1cc(C2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cs1 ZINC000551736869 1103578502 /nfs/dbraw/zinc/57/85/02/1103578502.db2.gz RNZGUGNXRFEZAL-QFIPXVFZSA-N 2 2 370.562 4.219 20 0 FIADLP c1cc(C2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cs1 ZINC000551736869 1103578523 /nfs/dbraw/zinc/57/85/23/1103578523.db2.gz RNZGUGNXRFEZAL-QFIPXVFZSA-N 2 2 370.562 4.219 20 0 FIADLP CCC[NH+]1CCC([NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000538197887 1104032546 /nfs/dbraw/zinc/03/25/46/1104032546.db2.gz SCXPUKDQGPVZFV-OAQYLSRUSA-N 2 2 357.929 4.483 20 0 FIADLP COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1C ZINC000441319382 1104274920 /nfs/dbraw/zinc/27/49/20/1104274920.db2.gz UUMNAZTZAJNGGW-ROUUACIJSA-N 2 2 362.514 4.024 20 0 FIADLP COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1C ZINC000441319382 1104274927 /nfs/dbraw/zinc/27/49/27/1104274927.db2.gz UUMNAZTZAJNGGW-ROUUACIJSA-N 2 2 362.514 4.024 20 0 FIADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000520459683 1104760537 /nfs/dbraw/zinc/76/05/37/1104760537.db2.gz CGVCGCATMWWJIF-XXBNENTESA-N 3 2 366.553 4.064 20 0 FIADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccc(Cl)cc2)cc1 ZINC000427878480 1105299915 /nfs/dbraw/zinc/29/99/15/1105299915.db2.gz ARUDOIGOETYOBL-QUCCMNQESA-N 2 2 355.844 4.370 20 0 FIADLP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427876379 1105299971 /nfs/dbraw/zinc/29/99/71/1105299971.db2.gz MHHMRUQDSJHTRM-BXUZGUMPSA-N 2 2 352.265 4.008 20 0 FIADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000427891851 1105312805 /nfs/dbraw/zinc/31/28/05/1105312805.db2.gz FGVGOFOICIXXFD-JXFKEZNVSA-N 2 2 365.452 4.267 20 0 FIADLP C[C@@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(F)cc1 ZINC000475347745 1106744832 /nfs/dbraw/zinc/74/48/32/1106744832.db2.gz IVOAYBRTWDEXPZ-TZYSRNFLSA-N 2 2 358.423 4.324 20 0 FIADLP CC(C)CCn1cccc1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475345058 1106746210 /nfs/dbraw/zinc/74/62/10/1106746210.db2.gz YRGDPOFQUROKQV-UHFFFAOYSA-N 2 2 371.491 4.429 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C3CCC4(CCOCC4)CC3)C2)CC1 ZINC000475355967 1106752891 /nfs/dbraw/zinc/75/28/91/1106752891.db2.gz QZXYYQIIYTUKPV-UHFFFAOYSA-N 2 2 374.491 4.121 20 0 FIADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H]3CC[NH2+]C34CCC4)s2)cc1 ZINC000530224163 1106915369 /nfs/dbraw/zinc/91/53/69/1106915369.db2.gz VACVVRHVHPYKBW-DYVFJYSZSA-N 2 2 357.523 4.062 20 0 FIADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CC[NH2+]C24CCC4)CCC3)cc1 ZINC000530217958 1106918655 /nfs/dbraw/zinc/91/86/55/1106918655.db2.gz HWWJTNRTMHPASG-SJLPKXTDSA-N 2 2 369.534 4.070 20 0 FIADLP Cc1[nH+]ccn1CCCCNc1cc[nH+]c2ccc(Br)cc12 ZINC000301403441 1107018339 /nfs/dbraw/zinc/01/83/39/1107018339.db2.gz DUWPFDMGQQEORE-UHFFFAOYSA-N 2 2 359.271 4.395 20 0 FIADLP CCC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000301483226 1107044585 /nfs/dbraw/zinc/04/45/85/1107044585.db2.gz XTEJJAXEHOMTQR-CQSZACIVSA-N 2 2 362.315 4.165 20 0 FIADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000301483226 1107044601 /nfs/dbraw/zinc/04/46/01/1107044601.db2.gz XTEJJAXEHOMTQR-CQSZACIVSA-N 2 2 362.315 4.165 20 0 FIADLP Cc1nc(NCc2ccccc2C[N@H+](C)Cc2ccco2)c(C)c(C)[nH+]1 ZINC000301715170 1107120780 /nfs/dbraw/zinc/12/07/80/1107120780.db2.gz ZSUWDVIRHJAQOX-UHFFFAOYSA-N 2 2 350.466 4.239 20 0 FIADLP Cc1nc(NCc2ccccc2C[N@@H+](C)Cc2ccco2)c(C)c(C)[nH+]1 ZINC000301715170 1107120795 /nfs/dbraw/zinc/12/07/95/1107120795.db2.gz ZSUWDVIRHJAQOX-UHFFFAOYSA-N 2 2 350.466 4.239 20 0 FIADLP Cc1[nH+]ccn1CCCN(C)c1cc[nH+]c2cc(Br)ccc21 ZINC000301781511 1107149019 /nfs/dbraw/zinc/14/90/19/1107149019.db2.gz NPWSZDGQVMPLPX-UHFFFAOYSA-N 2 2 359.271 4.029 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1)CCC2 ZINC000531731981 1108101904 /nfs/dbraw/zinc/10/19/04/1108101904.db2.gz LLKXKBQZJOJGGJ-APWZRJJASA-N 2 2 368.525 4.199 20 0 FIADLP CCn1ccnc1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000453061133 1108138822 /nfs/dbraw/zinc/13/88/22/1108138822.db2.gz KZNIPLIJLOBAIF-FHWLQOOXSA-N 2 2 354.542 4.232 20 0 FIADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000453210221 1108280300 /nfs/dbraw/zinc/28/03/00/1108280300.db2.gz MHNPTZJGSPPNBB-OALUTQOASA-N 2 2 369.509 4.025 20 0 FIADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000453210221 1108280305 /nfs/dbraw/zinc/28/03/05/1108280305.db2.gz MHNPTZJGSPPNBB-OALUTQOASA-N 2 2 369.509 4.025 20 0 FIADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453319022 1108410454 /nfs/dbraw/zinc/41/04/54/1108410454.db2.gz CJGRHKMIYZFKRB-WGGBDISSSA-N 2 2 371.569 4.414 20 0 FIADLP Cc1c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cnn1-c1cc(C)ccc1C ZINC000531939334 1108416031 /nfs/dbraw/zinc/41/60/31/1108416031.db2.gz WIHCKRXUJOPMQG-GOSISDBHSA-N 2 2 351.498 4.125 20 0 FIADLP CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)C1CCC1 ZINC000453337202 1108432045 /nfs/dbraw/zinc/43/20/45/1108432045.db2.gz ZOAKLMACJMCYSI-JOCHJYFZSA-N 2 2 357.542 4.168 20 0 FIADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCCn3cc[nH+]c3)s2)cc1 ZINC000531957258 1108447481 /nfs/dbraw/zinc/44/74/81/1108447481.db2.gz PXRSGWJJMDODMZ-HNNXBMFYSA-N 2 2 370.522 4.455 20 0 FIADLP C[C@@H](c1ccc(Oc2ccccc2)cc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000445310277 1108635360 /nfs/dbraw/zinc/63/53/60/1108635360.db2.gz KVYZIGBJQZRAEE-IBGZPJMESA-N 2 2 368.521 4.319 20 0 FIADLP C[C@@H](c1ccc(Oc2ccccc2)cc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000445310277 1108635369 /nfs/dbraw/zinc/63/53/69/1108635369.db2.gz KVYZIGBJQZRAEE-IBGZPJMESA-N 2 2 368.521 4.319 20 0 FIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(Br)cs1 ZINC000193973503 1108801332 /nfs/dbraw/zinc/80/13/32/1108801332.db2.gz LNOHLVDHDBTQQU-LBPRGKRZSA-N 2 2 366.328 4.225 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000193158820 1109163005 /nfs/dbraw/zinc/16/30/05/1109163005.db2.gz JCMMRABOSHBQAE-GOSISDBHSA-N 2 2 372.310 4.090 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cn(-c3ccccc3)nc1C(C)C)CCC2 ZINC000525182834 1109293591 /nfs/dbraw/zinc/29/35/91/1109293591.db2.gz MLSLGROGHWZJQK-SFHVURJKSA-N 2 2 363.509 4.168 20 0 FIADLP Clc1cc(Br)ccc1[C@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000446740383 1109325928 /nfs/dbraw/zinc/32/59/28/1109325928.db2.gz CWICKUBIXJCNJG-MRXNPFEDSA-N 2 2 368.706 4.430 20 0 FIADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000446742637 1109326777 /nfs/dbraw/zinc/32/67/77/1109326777.db2.gz GZRWSMBRARQDLR-HSZRJFAPSA-N 2 2 363.505 4.262 20 0 FIADLP CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(F)c1 ZINC000446942209 1109396235 /nfs/dbraw/zinc/39/62/35/1109396235.db2.gz QJEURSKPIAFRRS-HXUWFJFHSA-N 2 2 356.489 4.314 20 0 FIADLP CCOc1cc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)ccc1OCC(C)C ZINC000525696099 1109481846 /nfs/dbraw/zinc/48/18/46/1109481846.db2.gz NZZXUFHGBREMKU-LJQANCHMSA-N 2 2 371.525 4.292 20 0 FIADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000447816483 1109646545 /nfs/dbraw/zinc/64/65/45/1109646545.db2.gz LDYRAIFCZPVOFZ-RTBURBONSA-N 2 2 374.532 4.323 20 0 FIADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000448022551 1109696375 /nfs/dbraw/zinc/69/63/75/1109696375.db2.gz OOWPQMVTUVPFAU-GIWBLDEGSA-N 2 2 366.553 4.091 20 0 FIADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000448022551 1109696378 /nfs/dbraw/zinc/69/63/78/1109696378.db2.gz OOWPQMVTUVPFAU-GIWBLDEGSA-N 2 2 366.553 4.091 20 0 FIADLP Brc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)C2CC2)s1 ZINC000527373156 1109753499 /nfs/dbraw/zinc/75/34/99/1109753499.db2.gz HHBDHKKNJLPDER-HNNXBMFYSA-N 2 2 354.317 4.228 20 0 FIADLP C[C@H]([NH2+]Cc1ccsc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000527691552 1109805595 /nfs/dbraw/zinc/80/55/95/1109805595.db2.gz NNKSILGUPUDFMJ-GXTWGEPZSA-N 2 2 357.361 4.253 20 0 FIADLP C[C@H]([NH2+]Cc1ccsc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000527691552 1109805599 /nfs/dbraw/zinc/80/55/99/1109805599.db2.gz NNKSILGUPUDFMJ-GXTWGEPZSA-N 2 2 357.361 4.253 20 0 FIADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449016064 1109954265 /nfs/dbraw/zinc/95/42/65/1109954265.db2.gz MFKPMWBGVHLDEL-UHFFFAOYSA-N 2 2 357.567 4.235 20 0 FIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449016064 1109954267 /nfs/dbraw/zinc/95/42/67/1109954267.db2.gz MFKPMWBGVHLDEL-UHFFFAOYSA-N 2 2 357.567 4.235 20 0 FIADLP Clc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)s1 ZINC000449028189 1109959404 /nfs/dbraw/zinc/95/94/04/1109959404.db2.gz KMSQCBFLQVWHGC-UHFFFAOYSA-N 2 2 363.354 4.132 20 0 FIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449038418 1109962258 /nfs/dbraw/zinc/96/22/58/1109962258.db2.gz ULGXVTLBWYYKGZ-CQSZACIVSA-N 2 2 365.493 4.252 20 0 FIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449038418 1109962261 /nfs/dbraw/zinc/96/22/61/1109962261.db2.gz ULGXVTLBWYYKGZ-CQSZACIVSA-N 2 2 365.493 4.252 20 0 FIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449038418 1109962263 /nfs/dbraw/zinc/96/22/63/1109962263.db2.gz ULGXVTLBWYYKGZ-CQSZACIVSA-N 2 2 365.493 4.252 20 0 FIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449038418 1109962265 /nfs/dbraw/zinc/96/22/65/1109962265.db2.gz ULGXVTLBWYYKGZ-CQSZACIVSA-N 2 2 365.493 4.252 20 0 FIADLP CC(C)C[NH+]1CCC([NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449072177 1109972966 /nfs/dbraw/zinc/97/29/66/1109972966.db2.gz JYLWXBQLBYNLDK-UHFFFAOYSA-N 2 2 357.567 4.138 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449214576 1109997061 /nfs/dbraw/zinc/99/70/61/1109997061.db2.gz WZZGQDYVVBJQCA-TWEIKEKHSA-N 2 2 371.569 4.467 20 0 FIADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](c2cccs2)N(C)C)CC1 ZINC000449219038 1109999934 /nfs/dbraw/zinc/99/99/34/1109999934.db2.gz MCTFMFSQFBUYTE-GHTZIAJQSA-N 2 2 371.594 4.036 20 0 FIADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cccc3ccoc31)CC2 ZINC000449263760 1110018533 /nfs/dbraw/zinc/01/85/33/1110018533.db2.gz JLWLWHUQUFZNAB-GOSISDBHSA-N 2 2 367.518 4.376 20 0 FIADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cccc3ccoc31)CC2 ZINC000449263760 1110018536 /nfs/dbraw/zinc/01/85/36/1110018536.db2.gz JLWLWHUQUFZNAB-GOSISDBHSA-N 2 2 367.518 4.376 20 0 FIADLP COc1cccc2c(C[N@@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)cccc12 ZINC000449262837 1110018832 /nfs/dbraw/zinc/01/88/32/1110018832.db2.gz ISDICGIVZKZYLO-GOSISDBHSA-N 2 2 361.489 4.371 20 0 FIADLP COc1cccc2c(C[N@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)cccc12 ZINC000449262837 1110018834 /nfs/dbraw/zinc/01/88/34/1110018834.db2.gz ISDICGIVZKZYLO-GOSISDBHSA-N 2 2 361.489 4.371 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3cccc4ccoc43)C2)CC1 ZINC000449296511 1110019638 /nfs/dbraw/zinc/01/96/38/1110019638.db2.gz ZQZOIDRGQUJHIB-UHFFFAOYSA-N 2 2 352.400 4.328 20 0 FIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000449348103 1110036774 /nfs/dbraw/zinc/03/67/74/1110036774.db2.gz BFHGZMNFUCNUQN-GVDBMIGSSA-N 2 2 359.901 4.211 20 0 FIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000449352879 1110047429 /nfs/dbraw/zinc/04/74/29/1110047429.db2.gz YVULCHNUFMFEIC-TXPKVOOTSA-N 2 2 359.901 4.211 20 0 FIADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccc(Br)cc1)C(C)(C)C ZINC000528593589 1110049778 /nfs/dbraw/zinc/04/97/78/1110049778.db2.gz OVTINGBTTAPKOY-UHFFFAOYSA-N 2 2 350.304 4.026 20 0 FIADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccc(Br)cc1)C(C)(C)C ZINC000528593589 1110049783 /nfs/dbraw/zinc/04/97/83/1110049783.db2.gz OVTINGBTTAPKOY-UHFFFAOYSA-N 2 2 350.304 4.026 20 0 FIADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)n2)CC1 ZINC000449402837 1110058570 /nfs/dbraw/zinc/05/85/70/1110058570.db2.gz SXAVVSBVBIEDSO-YOEHRIQHSA-N 2 2 355.448 4.233 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)C1CCCC1 ZINC000449519245 1110097230 /nfs/dbraw/zinc/09/72/30/1110097230.db2.gz BMXMIURXTKNPBP-QFIPXVFZSA-N 2 2 357.542 4.168 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C(C)=CCC[C@H]3C)CC2)cc1 ZINC000449521322 1110098335 /nfs/dbraw/zinc/09/83/35/1110098335.db2.gz GKZMIOJNWWLRRS-WZONZLPQSA-N 2 2 369.553 4.191 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C)C[C@H]3C)CC2)cc1 ZINC000449523885 1110098822 /nfs/dbraw/zinc/09/88/22/1110098822.db2.gz MKFXTPAAJIPVQA-DRSNIGMVSA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000449523888 1110098863 /nfs/dbraw/zinc/09/88/63/1110098863.db2.gz MKFXTPAAJIPVQA-PNLZDCPESA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC(C)=C[C@@H](C)C3)CC2)cc1 ZINC000449523120 1110098880 /nfs/dbraw/zinc/09/88/80/1110098880.db2.gz KXDARGRWMVGUPT-DYESRHJHSA-N 2 2 369.553 4.191 20 0 FIADLP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000449524497 1110098985 /nfs/dbraw/zinc/09/89/85/1110098985.db2.gz OHGDQPFDLHTPFT-GCJKJVERSA-N 2 2 357.542 4.168 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000449527137 1110099992 /nfs/dbraw/zinc/09/99/92/1110099992.db2.gz ZSOPYHAMUJHZEL-PNLZDCPESA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@H](C)CC(C)(C)C3)CC2)cc1 ZINC000449526858 1110100075 /nfs/dbraw/zinc/10/00/75/1110100075.db2.gz YAJHBPQZSFEENI-JTSKRJEESA-N 2 2 371.569 4.414 20 0 FIADLP CC[N@H+](CCC1CC[NH+](Cc2nnc(C(C)C)s2)CC1)CC(C)C ZINC000450650657 1110324472 /nfs/dbraw/zinc/32/44/72/1110324472.db2.gz NMCACIHJSWLLGP-UHFFFAOYSA-N 2 2 352.592 4.242 20 0 FIADLP CC[N@@H+](CCC1CC[NH+](Cc2nnc(C(C)C)s2)CC1)CC(C)C ZINC000450650657 1110324473 /nfs/dbraw/zinc/32/44/73/1110324473.db2.gz NMCACIHJSWLLGP-UHFFFAOYSA-N 2 2 352.592 4.242 20 0 FIADLP C[NH+](CC1CC(F)(F)C1)[C@@H]1CCCC[C@H]1[N@H+](C)CC1CC(F)(F)C1 ZINC000450684192 1110330164 /nfs/dbraw/zinc/33/01/64/1110330164.db2.gz IURAZBQDMGFJIO-HZPDHXFCSA-N 2 2 350.444 4.252 20 0 FIADLP C[NH+](CC1CC(F)(F)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)CC1CC(F)(F)C1 ZINC000450684192 1110330166 /nfs/dbraw/zinc/33/01/66/1110330166.db2.gz IURAZBQDMGFJIO-HZPDHXFCSA-N 2 2 350.444 4.252 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000538395668 1111122895 /nfs/dbraw/zinc/12/28/95/1111122895.db2.gz JGYNVPGZBKHDHD-GJZGRUSLSA-N 2 2 369.347 4.229 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(Br)c1 ZINC000538395668 1111122896 /nfs/dbraw/zinc/12/28/96/1111122896.db2.gz JGYNVPGZBKHDHD-GJZGRUSLSA-N 2 2 369.347 4.229 20 0 FIADLP CC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1F ZINC000538557710 1111192614 /nfs/dbraw/zinc/19/26/14/1111192614.db2.gz KMPVIWHNKWXRIL-APWZRJJASA-N 2 2 360.452 4.063 20 0 FIADLP CCc1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC000538733193 1111269517 /nfs/dbraw/zinc/26/95/17/1111269517.db2.gz YIIYXEGRBVHBCM-OAQYLSRUSA-N 2 2 355.551 4.194 20 0 FIADLP CCc1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC000538733193 1111269518 /nfs/dbraw/zinc/26/95/18/1111269518.db2.gz YIIYXEGRBVHBCM-OAQYLSRUSA-N 2 2 355.551 4.194 20 0 FIADLP CCc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)s1 ZINC000538733193 1111269520 /nfs/dbraw/zinc/26/95/20/1111269520.db2.gz YIIYXEGRBVHBCM-OAQYLSRUSA-N 2 2 355.551 4.194 20 0 FIADLP CCc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC000538733193 1111269523 /nfs/dbraw/zinc/26/95/23/1111269523.db2.gz YIIYXEGRBVHBCM-OAQYLSRUSA-N 2 2 355.551 4.194 20 0 FIADLP Cc1ccc(-c2ncc(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)s2)cc1 ZINC000538750416 1111280125 /nfs/dbraw/zinc/28/01/25/1111280125.db2.gz ZMYAQGKQZNPMIG-GOSISDBHSA-N 2 2 355.551 4.282 20 0 FIADLP Cc1ccc(-c2ncc(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)s2)cc1 ZINC000538750416 1111280128 /nfs/dbraw/zinc/28/01/28/1111280128.db2.gz ZMYAQGKQZNPMIG-GOSISDBHSA-N 2 2 355.551 4.282 20 0 FIADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)s2)cc1 ZINC000538750416 1111280130 /nfs/dbraw/zinc/28/01/30/1111280130.db2.gz ZMYAQGKQZNPMIG-GOSISDBHSA-N 2 2 355.551 4.282 20 0 FIADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)s2)cc1 ZINC000538750416 1111280132 /nfs/dbraw/zinc/28/01/32/1111280132.db2.gz ZMYAQGKQZNPMIG-GOSISDBHSA-N 2 2 355.551 4.282 20 0 FIADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000538799916 1111297047 /nfs/dbraw/zinc/29/70/47/1111297047.db2.gz FASNWHJRZXILEJ-BBRMVZONSA-N 2 2 369.372 4.087 20 0 FIADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000538799916 1111297053 /nfs/dbraw/zinc/29/70/53/1111297053.db2.gz FASNWHJRZXILEJ-BBRMVZONSA-N 2 2 369.372 4.087 20 0 FIADLP CSc1cc(Br)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000538799916 1111297057 /nfs/dbraw/zinc/29/70/57/1111297057.db2.gz FASNWHJRZXILEJ-BBRMVZONSA-N 2 2 369.372 4.087 20 0 FIADLP CSc1cc(Br)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000538799916 1111297060 /nfs/dbraw/zinc/29/70/60/1111297060.db2.gz FASNWHJRZXILEJ-BBRMVZONSA-N 2 2 369.372 4.087 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1 ZINC000539087262 1111425855 /nfs/dbraw/zinc/42/58/55/1111425855.db2.gz RMXNQEIITNCIRL-HSQYWUDLSA-N 2 2 356.485 4.156 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1 ZINC000539087262 1111425859 /nfs/dbraw/zinc/42/58/59/1111425859.db2.gz RMXNQEIITNCIRL-HSQYWUDLSA-N 2 2 356.485 4.156 20 0 FIADLP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544172204 1111439189 /nfs/dbraw/zinc/43/91/89/1111439189.db2.gz WQGYUZWZVOVRAH-UXHICEINSA-N 2 2 353.491 4.252 20 0 FIADLP COc1ccccc1[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C1CCCC1 ZINC000539202167 1111470266 /nfs/dbraw/zinc/47/02/66/1111470266.db2.gz HNYDDSVPMKPLPT-QFIPXVFZSA-N 2 2 374.569 4.406 20 0 FIADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000552497376 1111724135 /nfs/dbraw/zinc/72/41/35/1111724135.db2.gz IOMOORADZOXTNE-QAPCUYQASA-N 2 2 350.453 4.045 20 0 FIADLP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000552497376 1111724142 /nfs/dbraw/zinc/72/41/42/1111724142.db2.gz IOMOORADZOXTNE-QAPCUYQASA-N 2 2 350.453 4.045 20 0 FIADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000552497376 1111724147 /nfs/dbraw/zinc/72/41/47/1111724147.db2.gz IOMOORADZOXTNE-QAPCUYQASA-N 2 2 350.453 4.045 20 0 FIADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000552497376 1111724153 /nfs/dbraw/zinc/72/41/53/1111724153.db2.gz IOMOORADZOXTNE-QAPCUYQASA-N 2 2 350.453 4.045 20 0 FIADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)c[nH+]1 ZINC000479351085 1111996255 /nfs/dbraw/zinc/99/62/55/1111996255.db2.gz OETKOAVXCHPTLT-NRFANRHFSA-N 2 2 369.472 4.225 20 0 FIADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc2c(c1)COC2 ZINC000479480897 1112038671 /nfs/dbraw/zinc/03/86/71/1112038671.db2.gz ULLIEYQLUAGOBT-MDAWKPQNSA-N 2 2 368.443 4.173 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000479491541 1112044874 /nfs/dbraw/zinc/04/48/74/1112044874.db2.gz SJKOTRSJOLXSOE-UHFFFAOYSA-N 2 2 356.476 4.206 20 0 FIADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(OC(F)F)cc1OC(F)F ZINC000479857044 1112163729 /nfs/dbraw/zinc/16/37/29/1112163729.db2.gz CXXARNQWQKTBNU-NSHDSACASA-N 2 2 366.399 4.128 20 0 FIADLP COc1cc(C)ccc1[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000554268106 1112274162 /nfs/dbraw/zinc/27/41/62/1112274162.db2.gz KWVIELWUDMYDJB-KRWDZBQOSA-N 2 2 368.525 4.102 20 0 FIADLP Cc1cnc([C@H]([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000480200174 1112329425 /nfs/dbraw/zinc/32/94/25/1112329425.db2.gz NCFIKWIHBITEOU-PWIZWCRZSA-N 2 2 355.551 4.403 20 0 FIADLP Cc1cnc([C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000480200174 1112329428 /nfs/dbraw/zinc/32/94/28/1112329428.db2.gz NCFIKWIHBITEOU-PWIZWCRZSA-N 2 2 355.551 4.403 20 0 FIADLP CC1CC[NH+]([C@@H](C[NH2+]CCC(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000554603808 1112415497 /nfs/dbraw/zinc/41/54/97/1112415497.db2.gz GVMBDOMGLGNHJQ-QFIPXVFZSA-N 2 2 365.521 4.078 20 0 FIADLP Brc1ccc2[nH+]ccc(N3CCC(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000480475313 1112444348 /nfs/dbraw/zinc/44/43/48/1112444348.db2.gz CAQWDNMYTZGPNW-UHFFFAOYSA-N 2 2 357.255 4.104 20 0 FIADLP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667685912 1112456410 /nfs/dbraw/zinc/45/64/10/1112456410.db2.gz OAVWCOJNWCEDSR-HNNXBMFYSA-N 2 2 355.511 4.349 20 0 FIADLP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667685912 1112456412 /nfs/dbraw/zinc/45/64/12/1112456412.db2.gz OAVWCOJNWCEDSR-HNNXBMFYSA-N 2 2 355.511 4.349 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CCS2 ZINC000480609035 1112499914 /nfs/dbraw/zinc/49/99/14/1112499914.db2.gz CSRHZPUXWZBFBU-BZUAXINKSA-N 2 2 367.356 4.202 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CCS2 ZINC000480609035 1112499913 /nfs/dbraw/zinc/49/99/13/1112499913.db2.gz CSRHZPUXWZBFBU-BZUAXINKSA-N 2 2 367.356 4.202 20 0 FIADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3nc4cccc(Cl)c4n3C)CC2)C1 ZINC000480660468 1112526893 /nfs/dbraw/zinc/52/68/93/1112526893.db2.gz OQRPTXOMJUWPAX-NVXWUHKLSA-N 2 2 374.960 4.359 20 0 FIADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccsc2Cl)C[C@@H](C)O1 ZINC000480667216 1112535747 /nfs/dbraw/zinc/53/57/47/1112535747.db2.gz QYRKVNKKZSQOPV-HUUCEWRRSA-N 2 2 364.942 4.301 20 0 FIADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000554972900 1112600029 /nfs/dbraw/zinc/60/00/29/1112600029.db2.gz ZAKOHBORJAMJEW-OOXMNIKJSA-N 2 2 361.436 4.363 20 0 FIADLP Clc1ccccc1CN1CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000162856431 1112683420 /nfs/dbraw/zinc/68/34/20/1112683420.db2.gz FAFKCDVGEWTIDK-UHFFFAOYSA-N 2 2 372.944 4.181 20 0 FIADLP Cc1nocc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000555552986 1112921809 /nfs/dbraw/zinc/92/18/09/1112921809.db2.gz KQGYHDZBCUOYIH-YJBOKZPZSA-N 2 2 367.415 4.175 20 0 FIADLP Cc1nocc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000555552986 1112921813 /nfs/dbraw/zinc/92/18/13/1112921813.db2.gz KQGYHDZBCUOYIH-YJBOKZPZSA-N 2 2 367.415 4.175 20 0 FIADLP COc1cc(OC)c([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000481433004 1112941518 /nfs/dbraw/zinc/94/15/18/1112941518.db2.gz HJXZOGIDGKOOIF-ZDUSSCGKSA-N 2 2 352.906 4.025 20 0 FIADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(-n2cccn2)c(F)c1 ZINC000555607232 1112943793 /nfs/dbraw/zinc/94/37/93/1112943793.db2.gz XOBGPLJMDDKYAM-CQSZACIVSA-N 2 2 367.453 4.109 20 0 FIADLP CSc1ccc([C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)N(C)C)cc1 ZINC000555645347 1112955889 /nfs/dbraw/zinc/95/58/89/1112955889.db2.gz XSPBPRMPOOGASJ-LJQANCHMSA-N 2 2 372.563 4.048 20 0 FIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccccc1 ZINC000482448443 1113262350 /nfs/dbraw/zinc/26/23/50/1113262350.db2.gz NWSAVVNCKSQFSL-UXHICEINSA-N 2 2 358.551 4.425 20 0 FIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccccc1 ZINC000482448443 1113262354 /nfs/dbraw/zinc/26/23/54/1113262354.db2.gz NWSAVVNCKSQFSL-UXHICEINSA-N 2 2 358.551 4.425 20 0 FIADLP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000483113796 1113445229 /nfs/dbraw/zinc/44/52/29/1113445229.db2.gz CFKFWSCKUGWBIU-SIKLNZKXSA-N 2 2 368.521 4.027 20 0 FIADLP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000483113796 1113445233 /nfs/dbraw/zinc/44/52/33/1113445233.db2.gz CFKFWSCKUGWBIU-SIKLNZKXSA-N 2 2 368.521 4.027 20 0 FIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccsc1Cl ZINC000483271476 1113477433 /nfs/dbraw/zinc/47/74/33/1113477433.db2.gz YFTIXVBFNHGCBM-UHFFFAOYSA-N 3 2 370.006 4.030 20 0 FIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccsc1Cl ZINC000483271476 1113477437 /nfs/dbraw/zinc/47/74/37/1113477437.db2.gz YFTIXVBFNHGCBM-UHFFFAOYSA-N 3 2 370.006 4.030 20 0 FIADLP CCOc1c(Cl)cccc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000486979176 1113689345 /nfs/dbraw/zinc/68/93/45/1113689345.db2.gz IFGJMCBUPCFPPB-UHFFFAOYSA-N 2 2 355.869 4.273 20 0 FIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1cccc(OC)c1 ZINC000489335113 1114088771 /nfs/dbraw/zinc/08/87/71/1114088771.db2.gz UKXFGAHCLONUME-GOSISDBHSA-N 2 2 353.510 4.390 20 0 FIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1cccc(OC)c1 ZINC000489335113 1114088775 /nfs/dbraw/zinc/08/87/75/1114088775.db2.gz UKXFGAHCLONUME-GOSISDBHSA-N 2 2 353.510 4.390 20 0 FIADLP CC(C)[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cccnc1 ZINC000164172492 1114443029 /nfs/dbraw/zinc/44/30/29/1114443029.db2.gz XGHNOOZERNSYTH-HSZRJFAPSA-N 2 2 366.553 4.146 20 0 FIADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000573255646 1115086855 /nfs/dbraw/zinc/08/68/55/1115086855.db2.gz CPIHYUQCLYNVLB-FUHWJXTLSA-N 2 2 353.510 4.376 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000592403854 1115224076 /nfs/dbraw/zinc/22/40/76/1115224076.db2.gz OEMPOWCQFBRHEC-RYQLBKOJSA-N 2 2 355.482 4.033 20 0 FIADLP COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000574226285 1115296203 /nfs/dbraw/zinc/29/62/03/1115296203.db2.gz XCROGCDUNVBZDP-GFCCVEGCSA-N 2 2 373.453 4.019 20 0 FIADLP CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccccc21 ZINC000593691161 1115342264 /nfs/dbraw/zinc/34/22/64/1115342264.db2.gz ORMWKFRAPRRQOF-UXHICEINSA-N 2 2 372.553 4.409 20 0 FIADLP Brc1cccc2c(N3CC[C@@H]([NH+]4CCCCC4)C3)cc[nH+]c12 ZINC000594006134 1115372019 /nfs/dbraw/zinc/37/20/19/1115372019.db2.gz NQLBFEKLPFILKO-CQSZACIVSA-N 2 2 360.299 4.062 20 0 FIADLP CC(C)(C)[N@@H+]1CCCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000601513492 1115643557 /nfs/dbraw/zinc/64/35/57/1115643557.db2.gz AKFZVEXZYVPTPY-UHFFFAOYSA-N 2 2 362.315 4.308 20 0 FIADLP CC(C)(C)[N@H+]1CCCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000601513492 1115643559 /nfs/dbraw/zinc/64/35/59/1115643559.db2.gz AKFZVEXZYVPTPY-UHFFFAOYSA-N 2 2 362.315 4.308 20 0 FIADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000669700352 1115818959 /nfs/dbraw/zinc/81/89/59/1115818959.db2.gz WEHMJCGDBYWBRU-DYESRHJHSA-N 2 2 363.509 4.366 20 0 FIADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000669700354 1115819107 /nfs/dbraw/zinc/81/91/07/1115819107.db2.gz WEHMJCGDBYWBRU-UTKZUKDTSA-N 2 2 363.509 4.366 20 0 FIADLP Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000608083178 1116081465 /nfs/dbraw/zinc/08/14/65/1116081465.db2.gz XURAUROPCMJQAY-AWEZNQCLSA-N 2 2 358.392 4.183 20 0 FIADLP Cn1cc[nH+]c1C[C@H](Nc1cc[nH+]c2ccc(Cl)cc12)c1ccccc1 ZINC000608094091 1116084392 /nfs/dbraw/zinc/08/43/92/1116084392.db2.gz BYXVGWMVXLWWGV-FQEVSTJZSA-N 2 2 362.864 4.440 20 0 FIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000509452800 1116198989 /nfs/dbraw/zinc/19/89/89/1116198989.db2.gz XBZOXCAKHDXIMC-JOCHJYFZSA-N 2 2 374.532 4.467 20 0 FIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000509452800 1116198990 /nfs/dbraw/zinc/19/89/90/1116198990.db2.gz XBZOXCAKHDXIMC-JOCHJYFZSA-N 2 2 374.532 4.467 20 0 FIADLP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000509722033 1116229796 /nfs/dbraw/zinc/22/97/96/1116229796.db2.gz OPNOXNDTZMHZHK-UHFFFAOYSA-N 2 2 362.477 4.357 20 0 FIADLP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000509722033 1116229799 /nfs/dbraw/zinc/22/97/99/1116229799.db2.gz OPNOXNDTZMHZHK-UHFFFAOYSA-N 2 2 362.477 4.357 20 0 FIADLP CC[C@H](C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000546869831 1116240984 /nfs/dbraw/zinc/24/09/84/1116240984.db2.gz NCNBCFPKXDJLAA-NHCUHLMSSA-N 2 2 357.929 4.483 20 0 FIADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cs2)cc1 ZINC000535316740 1116295800 /nfs/dbraw/zinc/29/58/00/1116295800.db2.gz TVRZDADPDRFPAP-QGZVFWFLSA-N 2 2 352.507 4.096 20 0 FIADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cs2)cc1 ZINC000535316740 1116295802 /nfs/dbraw/zinc/29/58/02/1116295802.db2.gz TVRZDADPDRFPAP-QGZVFWFLSA-N 2 2 352.507 4.096 20 0 FIADLP Cc1c(Br)cccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000535581661 1116327494 /nfs/dbraw/zinc/32/74/94/1116327494.db2.gz HSZPSXYLXUTQMQ-QGZVFWFLSA-N 2 2 351.332 4.208 20 0 FIADLP Cc1c(Br)cccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000535581661 1116327495 /nfs/dbraw/zinc/32/74/95/1116327495.db2.gz HSZPSXYLXUTQMQ-QGZVFWFLSA-N 2 2 351.332 4.208 20 0 FIADLP CC[N@H+](C[C@@H](C)c1ccc(OC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539406243 1116332018 /nfs/dbraw/zinc/33/20/18/1116332018.db2.gz HJJOFELOPTZWBA-LJQANCHMSA-N 2 2 367.537 4.432 20 0 FIADLP CC[N@@H+](C[C@@H](C)c1ccc(OC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539406243 1116332021 /nfs/dbraw/zinc/33/20/21/1116332021.db2.gz HJJOFELOPTZWBA-LJQANCHMSA-N 2 2 367.537 4.432 20 0 FIADLP Cc1c2ccccc2oc1[C@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000539660066 1116361063 /nfs/dbraw/zinc/36/10/63/1116361063.db2.gz SXWIOZZEUYBHNJ-WMZOPIPTSA-N 2 2 364.493 4.450 20 0 FIADLP Cc1ccc2c(c1)[C@H](Nc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)CCC2 ZINC000539687513 1116364981 /nfs/dbraw/zinc/36/49/81/1116364981.db2.gz FRSDJOVJHXJLRO-JOCHJYFZSA-N 2 2 364.537 4.410 20 0 FIADLP CC[N@@H+](Cc1cc(F)c(F)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539817409 1116384545 /nfs/dbraw/zinc/38/45/45/1116384545.db2.gz HPFWXKIOMKGWLG-UHFFFAOYSA-N 2 2 363.427 4.237 20 0 FIADLP CC[N@H+](Cc1cc(F)c(F)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539817409 1116384546 /nfs/dbraw/zinc/38/45/46/1116384546.db2.gz HPFWXKIOMKGWLG-UHFFFAOYSA-N 2 2 363.427 4.237 20 0 FIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000539907026 1117747306 /nfs/dbraw/zinc/74/73/06/1117747306.db2.gz RXDMXKGKKOVYOT-UHFFFAOYSA-N 2 2 374.488 4.071 20 0 FIADLP CC[N@H+](Cc1ccc(C)nc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000462792306 1117775534 /nfs/dbraw/zinc/77/55/34/1117775534.db2.gz ULCWBAKACKZUDE-UHFFFAOYSA-N 2 2 367.541 4.103 20 0 FIADLP CC[N@@H+](Cc1ccc(C)nc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000462792306 1117775537 /nfs/dbraw/zinc/77/55/37/1117775537.db2.gz ULCWBAKACKZUDE-UHFFFAOYSA-N 2 2 367.541 4.103 20 0 FIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1csc(-c2ccccc2F)n1 ZINC000462803682 1117787102 /nfs/dbraw/zinc/78/71/02/1117787102.db2.gz CDHDOSBOTVCADA-AWEZNQCLSA-N 2 2 356.470 4.497 20 0 FIADLP COc1cccc([C@H](C)[NH+]2CCN(c3cc[nH+]c4ccsc43)CC2)c1 ZINC000462814758 1117792874 /nfs/dbraw/zinc/79/28/74/1117792874.db2.gz GFGALRMEEVBXOF-HNNXBMFYSA-N 2 2 353.491 4.188 20 0 FIADLP C[C@H]([NH2+][C@@H]1CCOc2c(F)ccc(F)c21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462942151 1117871169 /nfs/dbraw/zinc/87/11/69/1117871169.db2.gz FJVJDWSUFNIJDE-XAUMDUMWSA-N 2 2 372.459 4.289 20 0 FIADLP C[C@H]([NH2+][C@@H]1CCOc2c(F)ccc(F)c21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462942151 1117871172 /nfs/dbraw/zinc/87/11/72/1117871172.db2.gz FJVJDWSUFNIJDE-XAUMDUMWSA-N 2 2 372.459 4.289 20 0 FIADLP Cc1nc2ccccc2n1CCCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000463094867 1117963637 /nfs/dbraw/zinc/96/36/37/1117963637.db2.gz UKRRSSYOQLRIQC-UHFFFAOYSA-N 2 2 351.498 4.118 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+](C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463130736 1117978624 /nfs/dbraw/zinc/97/86/24/1117978624.db2.gz IHTPYYSHVZIRBT-ZJSXRUAMSA-N 3 2 365.565 4.151 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463130736 1117978627 /nfs/dbraw/zinc/97/86/27/1117978627.db2.gz IHTPYYSHVZIRBT-ZJSXRUAMSA-N 3 2 365.565 4.151 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463130736 1117978630 /nfs/dbraw/zinc/97/86/30/1117978630.db2.gz IHTPYYSHVZIRBT-ZJSXRUAMSA-N 3 2 365.565 4.151 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463130736 1117978634 /nfs/dbraw/zinc/97/86/34/1117978634.db2.gz IHTPYYSHVZIRBT-ZJSXRUAMSA-N 3 2 365.565 4.151 20 0 FIADLP COC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000463245793 1118052429 /nfs/dbraw/zinc/05/24/29/1118052429.db2.gz ULIFNTRVVGICJJ-QFIPXVFZSA-N 2 2 372.940 4.324 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000463263600 1118057899 /nfs/dbraw/zinc/05/78/99/1118057899.db2.gz DDMOZZNRDNMIRY-BLIXFSHQSA-N 2 2 354.469 4.292 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)CC[N@H+]1Cc1ccccc1 ZINC000463263600 1118057902 /nfs/dbraw/zinc/05/79/02/1118057902.db2.gz DDMOZZNRDNMIRY-BLIXFSHQSA-N 2 2 354.469 4.292 20 0 FIADLP CCCCO[C@H]1C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1(C)C ZINC000540597615 1118140771 /nfs/dbraw/zinc/14/07/71/1118140771.db2.gz VZQGCXXLTGAYQA-PMACEKPBSA-N 2 2 355.526 4.047 20 0 FIADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc2ccccc2o1 ZINC000540758595 1118225814 /nfs/dbraw/zinc/22/58/14/1118225814.db2.gz LWZVHBOWMLUYJG-MAUKXSAKSA-N 2 2 350.466 4.141 20 0 FIADLP CC(C)OC(=O)c1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000541203823 1118423006 /nfs/dbraw/zinc/42/30/06/1118423006.db2.gz HCFMXPWMHFUVAZ-UHFFFAOYSA-N 2 2 369.509 4.141 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1)CCC2 ZINC000541543905 1118549193 /nfs/dbraw/zinc/54/91/93/1118549193.db2.gz UPYUSJBTYXEJEI-PZJWPPBQSA-N 2 2 364.468 4.291 20 0 FIADLP Cc1cc([C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)c2cccnc2)ccc1F ZINC000541548399 1118551537 /nfs/dbraw/zinc/55/15/37/1118551537.db2.gz CVRBDNFEAZENNO-PGRDOPGGSA-N 2 2 355.501 4.473 20 0 FIADLP Cc1cc([C@@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c2cccnc2)ccc1F ZINC000541548399 1118551541 /nfs/dbraw/zinc/55/15/41/1118551541.db2.gz CVRBDNFEAZENNO-PGRDOPGGSA-N 2 2 355.501 4.473 20 0 FIADLP Cc1cc([C@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)c2cccnc2)ccc1F ZINC000541548478 1118551734 /nfs/dbraw/zinc/55/17/34/1118551734.db2.gz LHHQQJWARHUCQE-JTSKRJEESA-N 2 2 355.501 4.330 20 0 FIADLP CC[N@H+](CCOc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805831 1118706619 /nfs/dbraw/zinc/70/66/19/1118706619.db2.gz MZFYAZHJPLKXSI-UHFFFAOYSA-N 2 2 373.928 4.352 20 0 FIADLP CC[N@@H+](CCOc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805831 1118706622 /nfs/dbraw/zinc/70/66/22/1118706622.db2.gz MZFYAZHJPLKXSI-UHFFFAOYSA-N 2 2 373.928 4.352 20 0 FIADLP CCOC1CC([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000542142259 1118805906 /nfs/dbraw/zinc/80/59/06/1118805906.db2.gz XLMJXEFYZCQDBD-UHFFFAOYSA-N 2 2 361.489 4.256 20 0 FIADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(C)c1 ZINC000542133540 1118810239 /nfs/dbraw/zinc/81/02/39/1118810239.db2.gz VSSNDICODJCQRX-LJQANCHMSA-N 2 2 368.525 4.019 20 0 FIADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC3 ZINC000491409697 1118946193 /nfs/dbraw/zinc/94/61/93/1118946193.db2.gz JKSBUJHPUKHWJP-FQEVSTJZSA-N 2 2 370.500 4.368 20 0 FIADLP CCSc1cccc(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1 ZINC000492062101 1119013083 /nfs/dbraw/zinc/01/30/83/1119013083.db2.gz MLOMFWZQPOVHGW-UHFFFAOYSA-N 2 2 361.580 4.311 20 0 FIADLP CCSc1cccc(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)c1 ZINC000492062101 1119013088 /nfs/dbraw/zinc/01/30/88/1119013088.db2.gz MLOMFWZQPOVHGW-UHFFFAOYSA-N 2 2 361.580 4.311 20 0 FIADLP C[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492462998 1119098350 /nfs/dbraw/zinc/09/83/50/1119098350.db2.gz HRXMWOYZGFQBQA-AEFFLSMTSA-N 2 2 367.518 4.403 20 0 FIADLP C[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492462998 1119098355 /nfs/dbraw/zinc/09/83/55/1119098355.db2.gz HRXMWOYZGFQBQA-AEFFLSMTSA-N 2 2 367.518 4.403 20 0 FIADLP Brc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309930408 1119305874 /nfs/dbraw/zinc/30/58/74/1119305874.db2.gz YVOQATLUJJYMTC-KRWDZBQOSA-N 2 2 359.311 4.061 20 0 FIADLP Brc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309930408 1119305879 /nfs/dbraw/zinc/30/58/79/1119305879.db2.gz YVOQATLUJJYMTC-KRWDZBQOSA-N 2 2 359.311 4.061 20 0 FIADLP C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311214391 1119362337 /nfs/dbraw/zinc/36/23/37/1119362337.db2.gz MKZVWNARAGSGFR-FUHWJXTLSA-N 2 2 357.567 4.441 20 0 FIADLP C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311214391 1119362340 /nfs/dbraw/zinc/36/23/40/1119362340.db2.gz MKZVWNARAGSGFR-FUHWJXTLSA-N 2 2 357.567 4.441 20 0 FIADLP c1sc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1-c1ccccc1 ZINC000312018351 1119397979 /nfs/dbraw/zinc/39/79/79/1119397979.db2.gz UJEBNJFIMUSXAZ-LJQANCHMSA-N 2 2 363.530 4.422 20 0 FIADLP c1sc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1-c1ccccc1 ZINC000312018351 1119397985 /nfs/dbraw/zinc/39/79/85/1119397985.db2.gz UJEBNJFIMUSXAZ-LJQANCHMSA-N 2 2 363.530 4.422 20 0 FIADLP Brc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccco2)cc1 ZINC000183662350 1119579075 /nfs/dbraw/zinc/57/90/75/1119579075.db2.gz YILLYJGMTKNLFV-QGZVFWFLSA-N 2 2 360.255 4.008 20 0 FIADLP CC(C)c1nc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cs1 ZINC000186274335 1119718220 /nfs/dbraw/zinc/71/82/20/1119718220.db2.gz SZLLWKLNWFMRTQ-SJORKVTESA-N 2 2 373.566 4.338 20 0 FIADLP CC(C)c1nc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cs1 ZINC000186274335 1119718226 /nfs/dbraw/zinc/71/82/26/1119718226.db2.gz SZLLWKLNWFMRTQ-SJORKVTESA-N 2 2 373.566 4.338 20 0 FIADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4ccccc4Cl)cs3)CC[C@@H]21 ZINC000187181298 1119771462 /nfs/dbraw/zinc/77/14/62/1119771462.db2.gz LYIPAMKGZDMVNF-KSSFIOAISA-N 2 2 361.942 4.380 20 0 FIADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4ccccc4Cl)cs3)CC[C@@H]21 ZINC000187181298 1119771466 /nfs/dbraw/zinc/77/14/66/1119771466.db2.gz LYIPAMKGZDMVNF-KSSFIOAISA-N 2 2 361.942 4.380 20 0 FIADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc(-c4ccccc4Cl)cs3)CC[C@@H]21 ZINC000187181298 1119771470 /nfs/dbraw/zinc/77/14/70/1119771470.db2.gz LYIPAMKGZDMVNF-KSSFIOAISA-N 2 2 361.942 4.380 20 0 FIADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc(-c4ccccc4Cl)cs3)CC[C@@H]21 ZINC000187181298 1119771473 /nfs/dbraw/zinc/77/14/73/1119771473.db2.gz LYIPAMKGZDMVNF-KSSFIOAISA-N 2 2 361.942 4.380 20 0 FIADLP Cc1nc2ccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)cc2s1 ZINC000494377920 1119846413 /nfs/dbraw/zinc/84/64/13/1119846413.db2.gz OOSSLXSVBZMTLT-UHFFFAOYSA-N 2 2 352.438 4.219 20 0 FIADLP Clc1ccccc1COc1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000494437181 1119860608 /nfs/dbraw/zinc/86/06/08/1119860608.db2.gz SMRJUUFKKJWKHS-SFHVURJKSA-N 2 2 367.880 4.220 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000192160804 1120033084 /nfs/dbraw/zinc/03/30/84/1120033084.db2.gz CJDXOXZVESSTHI-AUSIDOKSSA-N 2 2 361.489 4.438 20 0 FIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(Br)cs1 ZINC000194020050 1120232136 /nfs/dbraw/zinc/23/21/36/1120232136.db2.gz GIANIEXFMKCXOW-LBPRGKRZSA-N 2 2 354.317 4.449 20 0 FIADLP Cc1ccc2c(c1)[C@H](Nc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)[C@H](C)C2 ZINC000495025096 1120433802 /nfs/dbraw/zinc/43/38/02/1120433802.db2.gz GTSBINUNZLHRDZ-UZUQRXQVSA-N 2 2 364.537 4.266 20 0 FIADLP FC(F)(F)c1cccc(OCCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495021510 1120437167 /nfs/dbraw/zinc/43/71/67/1120437167.db2.gz WDDYWNJZALCBTG-CQSZACIVSA-N 2 2 353.388 4.077 20 0 FIADLP FC(F)(F)c1cccc(OCCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495021510 1120437169 /nfs/dbraw/zinc/43/71/69/1120437169.db2.gz WDDYWNJZALCBTG-CQSZACIVSA-N 2 2 353.388 4.077 20 0 FIADLP Brc1ccc(/C=C/CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000495052292 1120446101 /nfs/dbraw/zinc/44/61/01/1120446101.db2.gz YAVXHEZXMREADR-SIEGMDDESA-N 2 2 360.299 4.455 20 0 FIADLP Brc1ccc(/C=C/CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000495052292 1120446106 /nfs/dbraw/zinc/44/61/06/1120446106.db2.gz YAVXHEZXMREADR-SIEGMDDESA-N 2 2 360.299 4.455 20 0 FIADLP Brc1ccc(/C=C\CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000495052290 1120446765 /nfs/dbraw/zinc/44/67/65/1120446765.db2.gz YAVXHEZXMREADR-RKLPNKIQSA-N 2 2 360.299 4.455 20 0 FIADLP Brc1ccc(/C=C\CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000495052290 1120446766 /nfs/dbraw/zinc/44/67/66/1120446766.db2.gz YAVXHEZXMREADR-RKLPNKIQSA-N 2 2 360.299 4.455 20 0 FIADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccc1SC ZINC000303405949 1120756695 /nfs/dbraw/zinc/75/66/95/1120756695.db2.gz PYKFWESSZMBYAG-LJQANCHMSA-N 2 2 362.583 4.361 20 0 FIADLP COc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccc1SC ZINC000303405949 1120756700 /nfs/dbraw/zinc/75/67/00/1120756700.db2.gz PYKFWESSZMBYAG-LJQANCHMSA-N 2 2 362.583 4.361 20 0 FIADLP c1cn(-c2ccc(-c3noc([C@@H]4CC[C@@H](c5ccccc5)[NH2+]C4)n3)cc2)c[nH+]1 ZINC001212207292 1120979582 /nfs/dbraw/zinc/97/95/82/1120979582.db2.gz FTTIOBNPPCVPDR-QUCCMNQESA-N 2 2 371.444 4.131 20 0 FIADLP COc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2ccccc12 ZINC000030651545 1121066882 /nfs/dbraw/zinc/06/68/82/1121066882.db2.gz WYLDWLOWGZLCQS-UHFFFAOYSA-N 2 2 357.457 4.383 20 0 FIADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000047533656 1121318558 /nfs/dbraw/zinc/31/85/58/1121318558.db2.gz NULXLPGXKPHIJJ-UHFFFAOYSA-N 2 2 360.461 4.111 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282259750 1121545160 /nfs/dbraw/zinc/54/51/60/1121545160.db2.gz BVADOLMXVLUZMH-SFHVURJKSA-N 2 2 369.557 4.167 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282259750 1121545164 /nfs/dbraw/zinc/54/51/64/1121545164.db2.gz BVADOLMXVLUZMH-SFHVURJKSA-N 2 2 369.557 4.167 20 0 FIADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671761359 1121791083 /nfs/dbraw/zinc/79/10/83/1121791083.db2.gz XITOJDSMACUEAW-AOMKIAJQSA-N 2 2 365.477 4.239 20 0 FIADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671761359 1121791093 /nfs/dbraw/zinc/79/10/93/1121791093.db2.gz XITOJDSMACUEAW-AOMKIAJQSA-N 2 2 365.477 4.239 20 0 FIADLP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccccc1F ZINC000126660593 1121973816 /nfs/dbraw/zinc/97/38/16/1121973816.db2.gz MUPXJENSDCQCME-HZPDHXFCSA-N 2 2 359.464 4.128 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-c2ccccc2F)s1 ZINC000765792184 1121998697 /nfs/dbraw/zinc/99/86/97/1121998697.db2.gz PMATWTRQXKZETK-JYJNAYRXSA-N 2 2 360.498 4.068 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-c2ccccc2F)s1 ZINC000765792184 1121998700 /nfs/dbraw/zinc/99/87/00/1121998700.db2.gz PMATWTRQXKZETK-JYJNAYRXSA-N 2 2 360.498 4.068 20 0 FIADLP Cc1nc(COc2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2)cs1 ZINC000127715268 1122138922 /nfs/dbraw/zinc/13/89/22/1122138922.db2.gz VTAWQMXVJJHBBB-UHFFFAOYSA-N 2 2 371.550 4.091 20 0 FIADLP COc1ccc([C@@H]2C[C@H](n3c[nH+]cc3-c3cccc(C[NH3+])c3)CCO2)cc1 ZINC001168624127 1122182074 /nfs/dbraw/zinc/18/20/74/1122182074.db2.gz MLHSJIAXAXWJRW-KNQAVFIVSA-N 2 2 363.461 4.110 20 0 FIADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000444803142 1122655413 /nfs/dbraw/zinc/65/54/13/1122655413.db2.gz YPUSJKSKHPTLPD-HNNXBMFYSA-N 2 2 356.857 4.108 20 0 FIADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000444803142 1122655416 /nfs/dbraw/zinc/65/54/16/1122655416.db2.gz YPUSJKSKHPTLPD-HNNXBMFYSA-N 2 2 356.857 4.108 20 0 FIADLP Fc1cccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]2CCCO2)c1 ZINC000072073511 1122981674 /nfs/dbraw/zinc/98/16/74/1122981674.db2.gz VMWULQFQMPASMZ-JOCHJYFZSA-N 2 2 365.452 4.193 20 0 FIADLP Fc1cccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]2CCCO2)c1 ZINC000072073511 1122981676 /nfs/dbraw/zinc/98/16/76/1122981676.db2.gz VMWULQFQMPASMZ-JOCHJYFZSA-N 2 2 365.452 4.193 20 0 FIADLP Cc1ccccc1C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000556589326 1122983751 /nfs/dbraw/zinc/98/37/51/1122983751.db2.gz SXKLCQMOXFPFRD-QHCPKHFHSA-N 2 2 359.517 4.393 20 0 FIADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000556590094 1122993217 /nfs/dbraw/zinc/99/32/17/1122993217.db2.gz YOHLWACAXGSPHL-NLSFWIRASA-N 2 2 361.489 4.222 20 0 FIADLP C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000131632360 1123142108 /nfs/dbraw/zinc/14/21/08/1123142108.db2.gz MXMGVYGRXOQXGO-MUYFXNHWSA-N 2 2 369.509 4.423 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1Cl ZINC000132156831 1123224080 /nfs/dbraw/zinc/22/40/80/1123224080.db2.gz ACYXETWPOMEOKK-MRXNPFEDSA-N 2 2 369.896 4.487 20 0 FIADLP CCc1nc2c(s1)[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCC2 ZINC000132203675 1123229555 /nfs/dbraw/zinc/22/95/55/1123229555.db2.gz FQRSQJKNZZBYRE-QGZVFWFLSA-N 2 2 366.534 4.160 20 0 FIADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000132236949 1123233853 /nfs/dbraw/zinc/23/38/53/1123233853.db2.gz QCVHUHCABRFVBC-OALUTQOASA-N 2 2 363.505 4.264 20 0 FIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cc1N(C)C ZINC000132262275 1123236722 /nfs/dbraw/zinc/23/67/22/1123236722.db2.gz IIFKHJMTTVNMLR-QGZVFWFLSA-N 2 2 366.484 4.030 20 0 FIADLP C[NH+](Cc1ccsc1)Cc1cncc(C[N@H+](C)Cc2ccsc2)c1 ZINC000649231615 1123314960 /nfs/dbraw/zinc/31/49/60/1123314960.db2.gz ZGRGTIGNBSXUGA-UHFFFAOYSA-N 2 2 357.548 4.469 20 0 FIADLP C[NH+](Cc1ccsc1)Cc1cncc(C[N@@H+](C)Cc2ccsc2)c1 ZINC000649231615 1123314965 /nfs/dbraw/zinc/31/49/65/1123314965.db2.gz ZGRGTIGNBSXUGA-UHFFFAOYSA-N 2 2 357.548 4.469 20 0 FIADLP Fc1cc(Br)ccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000237697470 1124027980 /nfs/dbraw/zinc/02/79/80/1124027980.db2.gz NVOFLGYXEMJMJC-UHFFFAOYSA-N 2 2 369.322 4.475 20 0 FIADLP FC(F)(F)COc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000056494715 1124154151 /nfs/dbraw/zinc/15/41/51/1124154151.db2.gz WOLRCSWGLSJECH-UHFFFAOYSA-N 2 2 356.432 4.078 20 0 FIADLP COc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)c2ccc(Cl)cc2)cc1C ZINC000180013701 1124196967 /nfs/dbraw/zinc/19/69/67/1124196967.db2.gz HDOKVCYADNODNP-OAQYLSRUSA-N 2 2 358.913 4.430 20 0 FIADLP CCCCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1(C)C ZINC000245828916 1124258406 /nfs/dbraw/zinc/25/84/06/1124258406.db2.gz BHISXSMCIWBXBS-JRGCBEDISA-N 2 2 359.558 4.180 20 0 FIADLP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)c2ccccc2Cl)cc1 ZINC000245885411 1124271980 /nfs/dbraw/zinc/27/19/80/1124271980.db2.gz BPQJUGROGFRRJI-HRAATJIYSA-N 2 2 358.913 4.369 20 0 FIADLP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2ccccc2Cl)cc1 ZINC000245885411 1124271987 /nfs/dbraw/zinc/27/19/87/1124271987.db2.gz BPQJUGROGFRRJI-HRAATJIYSA-N 2 2 358.913 4.369 20 0 FIADLP Cc1cc(C)cc([C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)c2cccnc2)c1 ZINC000765859931 1124292416 /nfs/dbraw/zinc/29/24/16/1124292416.db2.gz MKLBABMLIWKCFT-HSZRJFAPSA-N 2 2 351.538 4.498 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000246279943 1124433138 /nfs/dbraw/zinc/43/31/38/1124433138.db2.gz BLDCIHWZIMDNDX-LAUBAEHRSA-N 2 2 357.929 4.168 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000246279943 1124433144 /nfs/dbraw/zinc/43/31/44/1124433144.db2.gz BLDCIHWZIMDNDX-LAUBAEHRSA-N 2 2 357.929 4.168 20 0 FIADLP C[C@H](OCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000246387072 1124479739 /nfs/dbraw/zinc/47/97/39/1124479739.db2.gz ANPKVALXNFADOU-ZRCGQRJVSA-N 2 2 367.537 4.050 20 0 FIADLP C[C@H](OCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000246387072 1124479747 /nfs/dbraw/zinc/47/97/47/1124479747.db2.gz ANPKVALXNFADOU-ZRCGQRJVSA-N 2 2 367.537 4.050 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000246975430 1124578700 /nfs/dbraw/zinc/57/87/00/1124578700.db2.gz VPUQLVAIUKLICK-XKGZKEIXSA-N 2 2 366.509 4.055 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000246975430 1124578707 /nfs/dbraw/zinc/57/87/07/1124578707.db2.gz VPUQLVAIUKLICK-XKGZKEIXSA-N 2 2 366.509 4.055 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000246975430 1124578715 /nfs/dbraw/zinc/57/87/15/1124578715.db2.gz VPUQLVAIUKLICK-XKGZKEIXSA-N 2 2 366.509 4.055 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000246975430 1124578720 /nfs/dbraw/zinc/57/87/20/1124578720.db2.gz VPUQLVAIUKLICK-XKGZKEIXSA-N 2 2 366.509 4.055 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000247152853 1124595100 /nfs/dbraw/zinc/59/51/00/1124595100.db2.gz SYHWZBSASMUKBD-CVYDXHPNSA-N 2 2 355.448 4.003 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000247152853 1124595114 /nfs/dbraw/zinc/59/51/14/1124595114.db2.gz SYHWZBSASMUKBD-CVYDXHPNSA-N 2 2 355.448 4.003 20 0 FIADLP Cc1cc(C)c(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000247219712 1124600437 /nfs/dbraw/zinc/60/04/37/1124600437.db2.gz XPCQUHIHMISABM-NFBKMPQASA-N 2 2 351.538 4.050 20 0 FIADLP Cc1cc(C)c(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000247219712 1124600438 /nfs/dbraw/zinc/60/04/38/1124600438.db2.gz XPCQUHIHMISABM-NFBKMPQASA-N 2 2 351.538 4.050 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000249108340 1124843651 /nfs/dbraw/zinc/84/36/51/1124843651.db2.gz MANRUCRJQXVWNS-VLHNPEIBSA-N 2 2 363.549 4.293 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000249108340 1124843665 /nfs/dbraw/zinc/84/36/65/1124843665.db2.gz MANRUCRJQXVWNS-VLHNPEIBSA-N 2 2 363.549 4.293 20 0 FIADLP c1ccc(OCC2CC2)c(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000063510591 1124924629 /nfs/dbraw/zinc/92/46/29/1124924629.db2.gz OBRUSOGFGFFLCA-UHFFFAOYSA-N 2 2 350.506 4.013 20 0 FIADLP c1ccc(OCC2CC2)c(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000063510591 1124924632 /nfs/dbraw/zinc/92/46/32/1124924632.db2.gz OBRUSOGFGFFLCA-UHFFFAOYSA-N 2 2 350.506 4.013 20 0 FIADLP CC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccccc1C ZINC000090218909 1124989577 /nfs/dbraw/zinc/98/95/77/1124989577.db2.gz XDDPPWFBAPSZQU-NNWRFLSQSA-N 2 2 367.537 4.048 20 0 FIADLP CC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccccc1C ZINC000090218909 1124989581 /nfs/dbraw/zinc/98/95/81/1124989581.db2.gz XDDPPWFBAPSZQU-NNWRFLSQSA-N 2 2 367.537 4.048 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000090667954 1125013877 /nfs/dbraw/zinc/01/38/77/1125013877.db2.gz BBXLSQGCDJZQGL-JTSKRJEESA-N 2 2 367.562 4.227 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1nc2ccccc2n1C ZINC000091341411 1125066935 /nfs/dbraw/zinc/06/69/35/1125066935.db2.gz ZXRILWFUEKRGQS-ROUUACIJSA-N 2 2 362.521 4.450 20 0 FIADLP COC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000091413683 1125071719 /nfs/dbraw/zinc/07/17/19/1125071719.db2.gz KWJVWLQZQQSJHZ-VBKZILBWSA-N 2 2 357.404 4.189 20 0 FIADLP CC[N@@H+](CC1=Cc2ccccc2OC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564676 1125440309 /nfs/dbraw/zinc/44/03/09/1125440309.db2.gz QVYUBEPOWUXPQC-UHFFFAOYSA-N 2 2 363.505 4.096 20 0 FIADLP CC[N@H+](CC1=Cc2ccccc2OC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564676 1125440313 /nfs/dbraw/zinc/44/03/13/1125440313.db2.gz QVYUBEPOWUXPQC-UHFFFAOYSA-N 2 2 363.505 4.096 20 0 FIADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000061003062 567859093 /nfs/dbraw/zinc/85/90/93/567859093.db2.gz YZGUQYXNLVOEMH-UHFFFAOYSA-N 2 2 371.488 4.224 20 0 FIADLP CC[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000603942467 568185307 /nfs/dbraw/zinc/18/53/07/568185307.db2.gz PMPXXSTVPIRYKA-KNQAVFIVSA-N 2 2 363.505 4.023 20 0 FIADLP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000603942467 568185308 /nfs/dbraw/zinc/18/53/08/568185308.db2.gz PMPXXSTVPIRYKA-KNQAVFIVSA-N 2 2 363.505 4.023 20 0 FIADLP Brc1ccc(/C=C\CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000604997995 568508292 /nfs/dbraw/zinc/50/82/92/568508292.db2.gz YHIRNWFGVJDGDB-YKVJVKFWSA-N 2 2 360.299 4.386 20 0 FIADLP Brc1ccc(/C=C\CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000604997995 568508293 /nfs/dbraw/zinc/50/82/93/568508293.db2.gz YHIRNWFGVJDGDB-YKVJVKFWSA-N 2 2 360.299 4.386 20 0 FIADLP Cc1cccc2c1cc[nH+]c2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164862509 720965101 /nfs/dbraw/zinc/96/51/01/720965101.db2.gz VXOFBJIKEJBOGR-QGZVFWFLSA-N 2 2 363.509 4.161 20 0 FIADLP Cc1cccc2c1cc[nH+]c2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164862509 720965108 /nfs/dbraw/zinc/96/51/08/720965108.db2.gz VXOFBJIKEJBOGR-QGZVFWFLSA-N 2 2 363.509 4.161 20 0 FIADLP CCCOc1c(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644028 1125469939 /nfs/dbraw/zinc/46/99/39/1125469939.db2.gz CGCHBCOYGJUITQ-ZBFHGGJFSA-N 2 2 354.922 4.052 20 0 FIADLP CCCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644028 1125469945 /nfs/dbraw/zinc/46/99/45/1125469945.db2.gz CGCHBCOYGJUITQ-ZBFHGGJFSA-N 2 2 354.922 4.052 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000093644028 1125469951 /nfs/dbraw/zinc/46/99/51/1125469951.db2.gz CGCHBCOYGJUITQ-ZBFHGGJFSA-N 2 2 354.922 4.052 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000093644028 1125469959 /nfs/dbraw/zinc/46/99/59/1125469959.db2.gz CGCHBCOYGJUITQ-ZBFHGGJFSA-N 2 2 354.922 4.052 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@@H+]1C ZINC000093643616 1125470306 /nfs/dbraw/zinc/47/03/06/1125470306.db2.gz OCHWOOKPJCINQH-HUUCEWRRSA-N 2 2 355.507 4.471 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@H+]1C ZINC000093643616 1125470316 /nfs/dbraw/zinc/47/03/16/1125470316.db2.gz OCHWOOKPJCINQH-HUUCEWRRSA-N 2 2 355.507 4.471 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-c3nc4ccccc4s3)o2)CC[NH+]1C ZINC000093643616 1125470324 /nfs/dbraw/zinc/47/03/24/1125470324.db2.gz OCHWOOKPJCINQH-HUUCEWRRSA-N 2 2 355.507 4.471 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3nc4ccccc4s3)o2)CC[NH+]1C ZINC000093643616 1125470339 /nfs/dbraw/zinc/47/03/39/1125470339.db2.gz OCHWOOKPJCINQH-HUUCEWRRSA-N 2 2 355.507 4.471 20 0 FIADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093643964 1125470358 /nfs/dbraw/zinc/47/03/58/1125470358.db2.gz YHANXIZPOSMYTI-QRWLVFNGSA-N 2 2 374.960 4.116 20 0 FIADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093643964 1125470361 /nfs/dbraw/zinc/47/03/61/1125470361.db2.gz YHANXIZPOSMYTI-QRWLVFNGSA-N 2 2 374.960 4.116 20 0 FIADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643964 1125470362 /nfs/dbraw/zinc/47/03/62/1125470362.db2.gz YHANXIZPOSMYTI-QRWLVFNGSA-N 2 2 374.960 4.116 20 0 FIADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643964 1125470365 /nfs/dbraw/zinc/47/03/65/1125470365.db2.gz YHANXIZPOSMYTI-QRWLVFNGSA-N 2 2 374.960 4.116 20 0 FIADLP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683408 1125490528 /nfs/dbraw/zinc/49/05/28/1125490528.db2.gz CGLZVFSCVXHJSB-GOSISDBHSA-N 2 2 353.485 4.196 20 0 FIADLP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683408 1125490530 /nfs/dbraw/zinc/49/05/30/1125490530.db2.gz CGLZVFSCVXHJSB-GOSISDBHSA-N 2 2 353.485 4.196 20 0 FIADLP Cc1cc2cc([C@H](C)[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)oc2cc1C ZINC000765972533 1125511480 /nfs/dbraw/zinc/51/14/80/1125511480.db2.gz AIHKBVATPKJHDW-PXNSSMCTSA-N 2 2 356.510 4.344 20 0 FIADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000093770565 1125520700 /nfs/dbraw/zinc/52/07/00/1125520700.db2.gz FQUOEIZJGUJWSL-NRFANRHFSA-N 2 2 368.521 4.048 20 0 FIADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000093770565 1125520709 /nfs/dbraw/zinc/52/07/09/1125520709.db2.gz FQUOEIZJGUJWSL-NRFANRHFSA-N 2 2 368.521 4.048 20 0 FIADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000093770565 1125520716 /nfs/dbraw/zinc/52/07/16/1125520716.db2.gz FQUOEIZJGUJWSL-NRFANRHFSA-N 2 2 368.521 4.048 20 0 FIADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000093770565 1125520721 /nfs/dbraw/zinc/52/07/21/1125520721.db2.gz FQUOEIZJGUJWSL-NRFANRHFSA-N 2 2 368.521 4.048 20 0 FIADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060030 1125577961 /nfs/dbraw/zinc/57/79/61/1125577961.db2.gz RKELITRZXZLFHI-INIZCTEOSA-N 2 2 374.916 4.056 20 0 FIADLP c1ccc(COc2ccccc2C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000163099457 1125602294 /nfs/dbraw/zinc/60/22/94/1125602294.db2.gz XZLGKGIZYJKMGH-UHFFFAOYSA-N 2 2 373.500 4.419 20 0 FIADLP CCOc1ccc([C@@H](CC)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1OCC ZINC000152817948 1125660276 /nfs/dbraw/zinc/66/02/76/1125660276.db2.gz RBDMJCDUCQNLAB-LJQANCHMSA-N 2 2 371.525 4.300 20 0 FIADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152832340 1125663144 /nfs/dbraw/zinc/66/31/44/1125663144.db2.gz GQJLMRGZQIMRKK-MRXNPFEDSA-N 2 2 350.293 4.346 20 0 FIADLP COCC[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC001648785824 1079565507 /nfs/dbraw/zinc/56/55/07/1079565507.db2.gz HEQLBGMOWLVNAJ-UHFFFAOYSA-N 2 2 358.526 4.302 20 0 FIADLP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC001648785824 1079565511 /nfs/dbraw/zinc/56/55/11/1079565511.db2.gz HEQLBGMOWLVNAJ-UHFFFAOYSA-N 2 2 358.526 4.302 20 0 FIADLP Cc1ccccc1C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000153275000 1125768227 /nfs/dbraw/zinc/76/82/27/1125768227.db2.gz KZFKCPPAIUOGJL-UGKGYDQZSA-N 2 2 351.538 4.168 20 0 FIADLP Cc1ccccc1C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000153275000 1125768235 /nfs/dbraw/zinc/76/82/35/1125768235.db2.gz KZFKCPPAIUOGJL-UGKGYDQZSA-N 2 2 351.538 4.168 20 0 FIADLP CC(C)[NH2+]C1CC[NH+](Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000179837427 1080329816 /nfs/dbraw/zinc/32/98/16/1080329816.db2.gz DJEJRLCYRRDSGL-UHFFFAOYSA-N 2 2 356.485 4.367 20 0 FIADLP O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000134794201 1080395126 /nfs/dbraw/zinc/39/51/26/1080395126.db2.gz UMYDSZDZBNOFQH-VXKWHMMOSA-N 2 2 365.452 4.100 20 0 FIADLP O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000134794201 1080395136 /nfs/dbraw/zinc/39/51/36/1080395136.db2.gz UMYDSZDZBNOFQH-VXKWHMMOSA-N 2 2 365.452 4.100 20 0 FIADLP CCc1nc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000180165264 1080463501 /nfs/dbraw/zinc/46/35/01/1080463501.db2.gz TYKADKWXPVENPK-DSLXNQLJSA-N 2 2 355.551 4.267 20 0 FIADLP CCc1nc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000180165264 1080463507 /nfs/dbraw/zinc/46/35/07/1080463507.db2.gz TYKADKWXPVENPK-DSLXNQLJSA-N 2 2 355.551 4.267 20 0 FIADLP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC001167138939 1080681377 /nfs/dbraw/zinc/68/13/77/1080681377.db2.gz TUCBOMLPYUJXJY-ZEQRLZLVSA-N 2 2 364.533 4.423 20 0 FIADLP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC001167138939 1080681382 /nfs/dbraw/zinc/68/13/82/1080681382.db2.gz TUCBOMLPYUJXJY-ZEQRLZLVSA-N 2 2 364.533 4.423 20 0 FIADLP Cc1cccc([C@@H]2CCC[NH+]2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC001167138939 1080681386 /nfs/dbraw/zinc/68/13/86/1080681386.db2.gz TUCBOMLPYUJXJY-ZEQRLZLVSA-N 2 2 364.533 4.423 20 0 FIADLP Cc1cccc([C@@H]2CCC[NH+]2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC001167138939 1080681388 /nfs/dbraw/zinc/68/13/88/1080681388.db2.gz TUCBOMLPYUJXJY-ZEQRLZLVSA-N 2 2 364.533 4.423 20 0 FIADLP Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC001167138934 1080684200 /nfs/dbraw/zinc/68/42/00/1080684200.db2.gz TUCBOMLPYUJXJY-BJKOFHAPSA-N 2 2 364.533 4.423 20 0 FIADLP Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC001167138934 1080684201 /nfs/dbraw/zinc/68/42/01/1080684201.db2.gz TUCBOMLPYUJXJY-BJKOFHAPSA-N 2 2 364.533 4.423 20 0 FIADLP Cc1cccc([C@H]2CCC[NH+]2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC001167138934 1080684202 /nfs/dbraw/zinc/68/42/02/1080684202.db2.gz TUCBOMLPYUJXJY-BJKOFHAPSA-N 2 2 364.533 4.423 20 0 FIADLP Cc1cccc([C@H]2CCC[NH+]2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC001167138934 1080684203 /nfs/dbraw/zinc/68/42/03/1080684203.db2.gz TUCBOMLPYUJXJY-BJKOFHAPSA-N 2 2 364.533 4.423 20 0 FIADLP Fc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2cccs2)cc1 ZINC000655682396 1081111055 /nfs/dbraw/zinc/11/10/55/1081111055.db2.gz DKPSCQINQKESGJ-TZIWHRDSSA-N 2 2 374.525 4.210 20 0 FIADLP c1ccc(CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000655701306 1081122213 /nfs/dbraw/zinc/12/22/13/1081122213.db2.gz RLXCQQOJTWOZDO-BJKOFHAPSA-N 2 2 364.533 4.203 20 0 FIADLP CCCOc1ccccc1[C@@H](CC(C)C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655719429 1081137922 /nfs/dbraw/zinc/13/79/22/1081137922.db2.gz UAZSFDGCGAHMNV-RBBKRZOGSA-N 2 2 374.569 4.406 20 0 FIADLP Fc1cccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc2)c1 ZINC000655722943 1081142706 /nfs/dbraw/zinc/14/27/06/1081142706.db2.gz JRUFVXVTONLZSH-PKTZIBPZSA-N 2 2 368.496 4.148 20 0 FIADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000655734393 1081152194 /nfs/dbraw/zinc/15/21/94/1081152194.db2.gz HKPTUQGMORLJEI-MOPGFXCFSA-N 2 2 370.459 4.245 20 0 FIADLP Clc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1Cl ZINC000655764041 1081180684 /nfs/dbraw/zinc/18/06/84/1081180684.db2.gz VDUYAVOILBRLIO-DJIMGWMZSA-N 2 2 369.336 4.082 20 0 FIADLP C[C@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[NH+]1CCCCCC1 ZINC000510299109 1081250108 /nfs/dbraw/zinc/25/01/08/1081250108.db2.gz PISZSCYTSFGRJQ-QGZVFWFLSA-N 2 2 366.509 4.089 20 0 FIADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655848503 1081257443 /nfs/dbraw/zinc/25/74/43/1081257443.db2.gz GFYYRULWEBSGFA-DZFGPLHGSA-N 2 2 372.557 4.228 20 0 FIADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655848503 1081257446 /nfs/dbraw/zinc/25/74/46/1081257446.db2.gz GFYYRULWEBSGFA-DZFGPLHGSA-N 2 2 372.557 4.228 20 0 FIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000122886791 1081415746 /nfs/dbraw/zinc/41/57/46/1081415746.db2.gz AWAZIWWBUXKLOK-GOSISDBHSA-N 2 2 369.900 4.326 20 0 FIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000122886791 1081415749 /nfs/dbraw/zinc/41/57/49/1081415749.db2.gz AWAZIWWBUXKLOK-GOSISDBHSA-N 2 2 369.900 4.326 20 0 FIADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cnn(C3CCCC3)c1-c1ccccc1)C2 ZINC000580061584 1081565610 /nfs/dbraw/zinc/56/56/10/1081565610.db2.gz BQEPYXOEXMAVGC-SFHVURJKSA-N 2 2 361.493 4.035 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cnn(Cc2ccccc2)c1 ZINC000580381385 1081913364 /nfs/dbraw/zinc/91/33/64/1081913364.db2.gz ASZMVSITCSHOLL-IBGZPJMESA-N 2 2 371.488 4.027 20 0 FIADLP CCCCn1c(SCC[C@@H]2CCCC[N@@H+]2C)nnc1[C@@H](CC)[NH+](C)C ZINC000255928296 1082259402 /nfs/dbraw/zinc/25/94/02/1082259402.db2.gz OBIRHGHFDLPSTB-DLBZAZTESA-N 2 2 367.607 4.057 20 0 FIADLP CCCCn1c(SCC[C@@H]2CCCC[N@H+]2C)nnc1[C@@H](CC)[NH+](C)C ZINC000255928296 1082259406 /nfs/dbraw/zinc/25/94/06/1082259406.db2.gz OBIRHGHFDLPSTB-DLBZAZTESA-N 2 2 367.607 4.057 20 0 FIADLP Cc1ccc(C[C@@H](C)[N@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001167454201 1082458198 /nfs/dbraw/zinc/45/81/98/1082458198.db2.gz QFUOKFFXNUQPPG-QPPBQGQZSA-N 2 2 366.549 4.149 20 0 FIADLP Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001167454201 1082458202 /nfs/dbraw/zinc/45/82/02/1082458202.db2.gz QFUOKFFXNUQPPG-QPPBQGQZSA-N 2 2 366.549 4.149 20 0 FIADLP Cc1ccc(C[C@@H](C)[NH+](C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001167454201 1082458204 /nfs/dbraw/zinc/45/82/04/1082458204.db2.gz QFUOKFFXNUQPPG-QPPBQGQZSA-N 2 2 366.549 4.149 20 0 FIADLP Cc1ccc(C[C@@H](C)[NH+](C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001167454201 1082458208 /nfs/dbraw/zinc/45/82/08/1082458208.db2.gz QFUOKFFXNUQPPG-QPPBQGQZSA-N 2 2 366.549 4.149 20 0 FIADLP Cc1[nH+]ccn1CCCS[C@H](C)[C@H](C)SCCCn1cc[nH+]c1C ZINC000276536265 1082860175 /nfs/dbraw/zinc/86/01/75/1082860175.db2.gz GSQGUEIZZLZRRH-IYBDPMFKSA-N 2 2 366.600 4.420 20 0 FIADLP C[C@@H]([NH2+][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1c[nH+]ccc1N ZINC000581878663 1082951666 /nfs/dbraw/zinc/95/16/66/1082951666.db2.gz XKZYVJFRALDDPS-PXAZEXFGSA-N 2 2 368.481 4.485 20 0 FIADLP CCCCCOc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OC ZINC000510536214 1083145247 /nfs/dbraw/zinc/14/52/47/1083145247.db2.gz XHQKVRYTZVKNAW-GOSISDBHSA-N 2 2 357.498 4.367 20 0 FIADLP CCCCCOc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OC ZINC000510536214 1083145250 /nfs/dbraw/zinc/14/52/50/1083145250.db2.gz XHQKVRYTZVKNAW-GOSISDBHSA-N 2 2 357.498 4.367 20 0 FIADLP CSc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000510536699 1083147326 /nfs/dbraw/zinc/14/73/26/1083147326.db2.gz YWUDZTZDIDWXJA-ZDUSSCGKSA-N 2 2 366.328 4.274 20 0 FIADLP CSc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000510536699 1083147329 /nfs/dbraw/zinc/14/73/29/1083147329.db2.gz YWUDZTZDIDWXJA-ZDUSSCGKSA-N 2 2 366.328 4.274 20 0 FIADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000510680422 1083233819 /nfs/dbraw/zinc/23/38/19/1083233819.db2.gz IIQTVUJESJVCGZ-INIZCTEOSA-N 2 2 355.432 4.321 20 0 FIADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)c1C ZINC000658227112 1083361467 /nfs/dbraw/zinc/36/14/67/1083361467.db2.gz QWNHMJDFAPDSCG-IEBWSBKVSA-N 2 2 357.542 4.017 20 0 FIADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)c1C ZINC000658227112 1083361473 /nfs/dbraw/zinc/36/14/73/1083361473.db2.gz QWNHMJDFAPDSCG-IEBWSBKVSA-N 2 2 357.542 4.017 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000658292486 1083395440 /nfs/dbraw/zinc/39/54/40/1083395440.db2.gz ZNEAHOCFRRPYFB-DNVCBOLYSA-N 2 2 374.525 4.458 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2cc(OC)ccc2c1 ZINC000658292150 1083396284 /nfs/dbraw/zinc/39/62/84/1083396284.db2.gz OERLWKFXSDNLIT-FYYLOGMGSA-N 2 2 368.521 4.142 20 0 FIADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cs1 ZINC000658319080 1083406654 /nfs/dbraw/zinc/40/66/54/1083406654.db2.gz WQKARVVJRJSTGP-QFBILLFUSA-N 2 2 355.551 4.404 20 0 FIADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cs1 ZINC000658319080 1083406659 /nfs/dbraw/zinc/40/66/59/1083406659.db2.gz WQKARVVJRJSTGP-QFBILLFUSA-N 2 2 355.551 4.404 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cnc(-c4ccccn4)s3)C2)CC1 ZINC000092587870 1083445589 /nfs/dbraw/zinc/44/55/89/1083445589.db2.gz DNUDQSOFBNUJIP-GOSISDBHSA-N 2 2 370.566 4.149 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cnc(-c4ccccn4)s3)C2)CC1 ZINC000092587870 1083445593 /nfs/dbraw/zinc/44/55/93/1083445593.db2.gz DNUDQSOFBNUJIP-GOSISDBHSA-N 2 2 370.566 4.149 20 0 FIADLP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCC2 ZINC000535685458 1083577176 /nfs/dbraw/zinc/57/71/76/1083577176.db2.gz JRABAMSGNWHDOW-QFIPXVFZSA-N 2 2 370.924 4.339 20 0 FIADLP Cc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc(OC(F)(F)F)c1 ZINC001143462404 1083644803 /nfs/dbraw/zinc/64/48/03/1083644803.db2.gz KGRCTERHAYGYIU-UHFFFAOYSA-N 2 2 366.383 4.332 20 0 FIADLP CC[N@@H+](Cc1nc(C(C)(C)C)co1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001167499217 1084016420 /nfs/dbraw/zinc/01/64/20/1084016420.db2.gz DTLNMZDPSDBVCM-UHFFFAOYSA-N 2 2 356.514 4.106 20 0 FIADLP CC[N@H+](Cc1nc(C(C)(C)C)co1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001167499217 1084016438 /nfs/dbraw/zinc/01/64/38/1084016438.db2.gz DTLNMZDPSDBVCM-UHFFFAOYSA-N 2 2 356.514 4.106 20 0 FIADLP CCn1nc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c2ccccc21 ZINC000472039307 1084141169 /nfs/dbraw/zinc/14/11/69/1084141169.db2.gz WMRVZUZROSZVGO-IERDGZPVSA-N 2 2 368.550 4.290 20 0 FIADLP CCn1nc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c2ccccc21 ZINC000472039307 1084141189 /nfs/dbraw/zinc/14/11/89/1084141189.db2.gz WMRVZUZROSZVGO-IERDGZPVSA-N 2 2 368.550 4.290 20 0 FIADLP c1ccc(NC2CC[NH+](Cc3ccccc3Oc3cccnc3)CC2)[nH+]c1 ZINC000536370266 1084221849 /nfs/dbraw/zinc/22/18/49/1084221849.db2.gz KGUZSZBAAFXEDZ-UHFFFAOYSA-N 2 2 360.461 4.345 20 0 FIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(C2CC2)s1 ZINC000548972804 1084253453 /nfs/dbraw/zinc/25/34/53/1084253453.db2.gz RZFCHZZMCKJWQG-IBGZPJMESA-N 2 2 355.551 4.411 20 0 FIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(C2CC2)s1 ZINC000548972804 1084253462 /nfs/dbraw/zinc/25/34/62/1084253462.db2.gz RZFCHZZMCKJWQG-IBGZPJMESA-N 2 2 355.551 4.411 20 0 FIADLP CC(C)(C)OC(=O)Nc1ccsc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000892098935 1084282851 /nfs/dbraw/zinc/28/28/51/1084282851.db2.gz VOTWZTUKNWAYPQ-HNNXBMFYSA-N 2 2 365.543 4.013 20 0 FIADLP CC(C)(C)OC(=O)Nc1ccsc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000892098935 1084282858 /nfs/dbraw/zinc/28/28/58/1084282858.db2.gz VOTWZTUKNWAYPQ-HNNXBMFYSA-N 2 2 365.543 4.013 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1OC(F)F ZINC000177807320 1084341549 /nfs/dbraw/zinc/34/15/49/1084341549.db2.gz HKJMGWGDKWXSNN-ZDUSSCGKSA-N 2 2 361.367 4.464 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC001167512823 1084375468 /nfs/dbraw/zinc/37/54/68/1084375468.db2.gz QPLAIOGNKWOVQW-BEFAXECRSA-N 2 2 365.359 4.490 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC001167512823 1084375474 /nfs/dbraw/zinc/37/54/74/1084375474.db2.gz QPLAIOGNKWOVQW-BEFAXECRSA-N 2 2 365.359 4.490 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccccc1 ZINC000657380953 1084811430 /nfs/dbraw/zinc/81/14/30/1084811430.db2.gz NUPLDXDCSPDURH-IBGZPJMESA-N 2 2 365.452 4.174 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccccc1 ZINC000657380954 1084811558 /nfs/dbraw/zinc/81/15/58/1084811558.db2.gz NUPLDXDCSPDURH-LJQANCHMSA-N 2 2 365.452 4.174 20 0 FIADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000582268089 1084817697 /nfs/dbraw/zinc/81/76/97/1084817697.db2.gz YMETZCCVNHSLQQ-CRAIPNDOSA-N 2 2 351.332 4.460 20 0 FIADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000582268089 1084817704 /nfs/dbraw/zinc/81/77/04/1084817704.db2.gz YMETZCCVNHSLQQ-CRAIPNDOSA-N 2 2 351.332 4.460 20 0 FIADLP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(C)c1 ZINC000657412797 1084944852 /nfs/dbraw/zinc/94/48/52/1084944852.db2.gz PCGIXSJDJBNXRZ-IBGZPJMESA-N 2 2 367.537 4.494 20 0 FIADLP Cn1c2ccc(NCc3ccnn3-c3cc[nH+]cc3)cc2[nH+]c1C(C)(C)C ZINC000657418336 1084959846 /nfs/dbraw/zinc/95/98/46/1084959846.db2.gz OGRYZPZWHODRJG-UHFFFAOYSA-N 2 2 360.465 4.064 20 0 FIADLP COc1cc(OC)c(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1F ZINC000651713071 1085402741 /nfs/dbraw/zinc/40/27/41/1085402741.db2.gz BBQJXEPEVSDYTJ-INIZCTEOSA-N 2 2 372.484 4.158 20 0 FIADLP CC[C@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000651822084 1085527932 /nfs/dbraw/zinc/52/79/32/1085527932.db2.gz KEWWFCAQSRAPLC-FGZHOGPDSA-N 2 2 357.542 4.168 20 0 FIADLP CC(C)[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1F ZINC000661484995 1085599155 /nfs/dbraw/zinc/59/91/55/1085599155.db2.gz NTDMJEGOZOZWIY-QFIPXVFZSA-N 2 2 356.485 4.145 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(OC)c1 ZINC000657613770 1085699626 /nfs/dbraw/zinc/69/96/26/1085699626.db2.gz YTYVYSKZVFRWLR-AAIMPIBUSA-N 2 2 368.521 4.025 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(OC)c1 ZINC000657613770 1085699629 /nfs/dbraw/zinc/69/96/29/1085699629.db2.gz YTYVYSKZVFRWLR-AAIMPIBUSA-N 2 2 368.521 4.025 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000153490140 1085823996 /nfs/dbraw/zinc/82/39/96/1085823996.db2.gz QHYRBYOGAZIVLP-CYFREDJKSA-N 2 2 372.516 4.144 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000153490140 1085824002 /nfs/dbraw/zinc/82/40/02/1085824002.db2.gz QHYRBYOGAZIVLP-CYFREDJKSA-N 2 2 372.516 4.144 20 0 FIADLP Clc1scc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1Cl ZINC000432245370 1085946730 /nfs/dbraw/zinc/94/67/30/1085946730.db2.gz HWYZCOQNHFWUEG-UHFFFAOYSA-N 2 2 371.333 4.177 20 0 FIADLP c1ccc(COc2cccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)c2)cc1 ZINC000394413200 1086193691 /nfs/dbraw/zinc/19/36/91/1086193691.db2.gz LHVWSIVMUDTTGM-UHFFFAOYSA-N 2 2 350.506 4.230 20 0 FIADLP C[C@H]1[N@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)CCOC1(C)C ZINC001167658497 1086377855 /nfs/dbraw/zinc/37/78/55/1086377855.db2.gz IRCLDYZTTOHDDF-NFBKMPQASA-N 2 2 366.549 4.402 20 0 FIADLP C[C@H]1[N@@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)CCOC1(C)C ZINC001167658497 1086377868 /nfs/dbraw/zinc/37/78/68/1086377868.db2.gz IRCLDYZTTOHDDF-NFBKMPQASA-N 2 2 366.549 4.402 20 0 FIADLP C[C@H]1[NH+](C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CCOC1(C)C ZINC001167658497 1086377878 /nfs/dbraw/zinc/37/78/78/1086377878.db2.gz IRCLDYZTTOHDDF-NFBKMPQASA-N 2 2 366.549 4.402 20 0 FIADLP C[C@H]1[NH+](C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CCOC1(C)C ZINC001167658497 1086377891 /nfs/dbraw/zinc/37/78/91/1086377891.db2.gz IRCLDYZTTOHDDF-NFBKMPQASA-N 2 2 366.549 4.402 20 0 FIADLP Cc1cc([C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c2cccnc2)ccc1F ZINC000663465800 1086564912 /nfs/dbraw/zinc/56/49/12/1086564912.db2.gz LOUVNPMTTPXAPF-CVDCTZTESA-N 2 2 367.512 4.330 20 0 FIADLP Cc1cc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c2cccnc2)ccc1F ZINC000663465800 1086564923 /nfs/dbraw/zinc/56/49/23/1086564923.db2.gz LOUVNPMTTPXAPF-CVDCTZTESA-N 2 2 367.512 4.330 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)cn1 ZINC000126431511 1086621114 /nfs/dbraw/zinc/62/11/14/1086621114.db2.gz KDTOCHQXJFPFBE-CYBMUJFWSA-N 2 2 360.383 4.445 20 0 FIADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001167842929 1086761108 /nfs/dbraw/zinc/76/11/08/1086761108.db2.gz ZRXBEUOXMBUORM-ISBMVONUSA-N 3 2 373.629 4.392 20 0 FIADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001167842929 1086761111 /nfs/dbraw/zinc/76/11/11/1086761111.db2.gz ZRXBEUOXMBUORM-ISBMVONUSA-N 3 2 373.629 4.392 20 0 FIADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001167842929 1086761116 /nfs/dbraw/zinc/76/11/16/1086761116.db2.gz ZRXBEUOXMBUORM-ISBMVONUSA-N 3 2 373.629 4.392 20 0 FIADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001167842929 1086761122 /nfs/dbraw/zinc/76/11/22/1086761122.db2.gz ZRXBEUOXMBUORM-ISBMVONUSA-N 3 2 373.629 4.392 20 0 FIADLP c1cnn(-c2cccc(C[NH2+][C@H]3c4ccccc4CC[C@@H]3n3cc[nH+]c3)c2)c1 ZINC000583532910 1086777198 /nfs/dbraw/zinc/77/71/98/1086777198.db2.gz WYQYOMGQFMGGFW-GOTSBHOMSA-N 2 2 369.472 4.087 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647304210 1086920766 /nfs/dbraw/zinc/92/07/66/1086920766.db2.gz ADKWEWHBDNMPKN-CTNGQTDRSA-N 2 2 366.553 4.172 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647304210 1086920771 /nfs/dbraw/zinc/92/07/71/1086920771.db2.gz ADKWEWHBDNMPKN-CTNGQTDRSA-N 2 2 366.553 4.172 20 0 FIADLP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000427874420 1086996758 /nfs/dbraw/zinc/99/67/58/1086996758.db2.gz HEYBZETYAJGTAV-ZQIUZPCESA-N 2 2 350.293 4.431 20 0 FIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)c1ccccc1 ZINC000583974589 1087075195 /nfs/dbraw/zinc/07/51/95/1087075195.db2.gz AYEDJECJJNLNCW-TUNNFDKTSA-N 2 2 354.542 4.119 20 0 FIADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)c1ccccc1 ZINC000583974586 1087075651 /nfs/dbraw/zinc/07/56/51/1087075651.db2.gz AYEDJECJJNLNCW-JAXLGGSGSA-N 2 2 354.542 4.119 20 0 FIADLP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)c1 ZINC000278564755 1087101218 /nfs/dbraw/zinc/10/12/18/1087101218.db2.gz CYDIQPBKWPQBPR-UHFFFAOYSA-N 2 2 357.445 4.294 20 0 FIADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Oc1ccc(Cl)cc1 ZINC000151574291 1087156866 /nfs/dbraw/zinc/15/68/66/1087156866.db2.gz JJLHOIAKJSOZBD-LZJOCLMNSA-N 2 2 373.928 4.003 20 0 FIADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Oc1ccc(Cl)cc1 ZINC000151574291 1087156869 /nfs/dbraw/zinc/15/68/69/1087156869.db2.gz JJLHOIAKJSOZBD-LZJOCLMNSA-N 2 2 373.928 4.003 20 0 FIADLP Cn1c[nH+]cc1CC[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000584139846 1087186796 /nfs/dbraw/zinc/18/67/96/1087186796.db2.gz HHEDQPOGMVYTQG-UHFFFAOYSA-N 2 2 350.293 4.449 20 0 FIADLP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080961761 1087288694 /nfs/dbraw/zinc/28/86/94/1087288694.db2.gz HKWBASOPMJMUDV-LJQANCHMSA-N 2 2 360.461 4.042 20 0 FIADLP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080961761 1087288701 /nfs/dbraw/zinc/28/87/01/1087288701.db2.gz HKWBASOPMJMUDV-LJQANCHMSA-N 2 2 360.461 4.042 20 0 FIADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961169 1087288945 /nfs/dbraw/zinc/28/89/45/1087288945.db2.gz RXBFLGLBPBNDIN-PZJWPPBQSA-N 2 2 374.488 4.278 20 0 FIADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961169 1087288951 /nfs/dbraw/zinc/28/89/51/1087288951.db2.gz RXBFLGLBPBNDIN-PZJWPPBQSA-N 2 2 374.488 4.278 20 0 FIADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1-c1ccccc1 ZINC000080961613 1087289546 /nfs/dbraw/zinc/28/95/46/1087289546.db2.gz AQENHHQYQDGXHC-LJQANCHMSA-N 2 2 374.488 4.285 20 0 FIADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1-c1ccccc1 ZINC000080961613 1087289549 /nfs/dbraw/zinc/28/95/49/1087289549.db2.gz AQENHHQYQDGXHC-LJQANCHMSA-N 2 2 374.488 4.285 20 0 FIADLP CC(C)OC(=O)C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000584437629 1087411568 /nfs/dbraw/zinc/41/15/68/1087411568.db2.gz QDLMGULDSFUXOY-IBGZPJMESA-N 2 2 369.490 4.106 20 0 FIADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1cc2ccncc2s1 ZINC000657861514 1087414275 /nfs/dbraw/zinc/41/42/75/1087414275.db2.gz IOAPEABXYUEJBR-HIFRSBDPSA-N 2 2 354.523 4.456 20 0 FIADLP CC(C)[C@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1cccnc1 ZINC000091344660 1087428020 /nfs/dbraw/zinc/42/80/20/1087428020.db2.gz LWMGSZLEALCEQM-KNQAVFIVSA-N 2 2 367.537 4.268 20 0 FIADLP CCOc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OCC(C)C ZINC000092073873 1087438183 /nfs/dbraw/zinc/43/81/83/1087438183.db2.gz CGUQUMJNAZAKCK-SFHVURJKSA-N 2 2 357.498 4.223 20 0 FIADLP CCOc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OCC(C)C ZINC000092073873 1087438186 /nfs/dbraw/zinc/43/81/86/1087438186.db2.gz CGUQUMJNAZAKCK-SFHVURJKSA-N 2 2 357.498 4.223 20 0 FIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@@H]3COC4(CCC4)C3)cc2)c[nH+]1 ZINC000657869173 1087470800 /nfs/dbraw/zinc/47/08/00/1087470800.db2.gz ZEMWIWYRKDXZGJ-QFIPXVFZSA-N 2 2 373.500 4.400 20 0 FIADLP COc1ccc(-c2cc(C[NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)on2)cc1 ZINC000685485861 1087581414 /nfs/dbraw/zinc/58/14/14/1087581414.db2.gz TVBFKQMZFNVCNW-INIZCTEOSA-N 2 2 374.444 4.387 20 0 FIADLP CC(C)[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(F)cc(Br)c1 ZINC000657979239 1087689501 /nfs/dbraw/zinc/68/95/01/1087689501.db2.gz HQXXDUHEOHQCFF-NVXWUHKLSA-N 2 2 366.278 4.086 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(Cl)c1 ZINC000424256220 1087878290 /nfs/dbraw/zinc/87/82/90/1087878290.db2.gz IWAJBWWNTDKBHV-OAHLLOKOSA-N 2 2 355.869 4.444 20 0 FIADLP CC(C)n1c[nH+]cc1CNc1[nH+]ccn1Cc1ccc(Br)cc1 ZINC000424726167 1088203877 /nfs/dbraw/zinc/20/38/77/1088203877.db2.gz SZXQKURQTWJXTK-UHFFFAOYSA-N 2 2 374.286 4.083 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1F ZINC000187798282 1088321081 /nfs/dbraw/zinc/32/10/81/1088321081.db2.gz HMAYJYJMFNHMDE-GFCCVEGCSA-N 2 2 355.295 4.113 20 0 FIADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504041 1088685341 /nfs/dbraw/zinc/68/53/41/1088685341.db2.gz RTALGWKULMKDBV-LAUBAEHRSA-N 2 2 355.913 4.176 20 0 FIADLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504041 1088685351 /nfs/dbraw/zinc/68/53/51/1088685351.db2.gz RTALGWKULMKDBV-LAUBAEHRSA-N 2 2 355.913 4.176 20 0 FIADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504041 1088685361 /nfs/dbraw/zinc/68/53/61/1088685361.db2.gz RTALGWKULMKDBV-LAUBAEHRSA-N 2 2 355.913 4.176 20 0 FIADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504041 1088685371 /nfs/dbraw/zinc/68/53/71/1088685371.db2.gz RTALGWKULMKDBV-LAUBAEHRSA-N 2 2 355.913 4.176 20 0 FIADLP c1c[nH]c([C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C2CCCCC2)n1 ZINC000514090626 1088736815 /nfs/dbraw/zinc/73/68/15/1088736815.db2.gz VXRHDLXUNKQMSW-QFIPXVFZSA-N 2 2 366.553 4.328 20 0 FIADLP CCO[C@@H](C)c1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cs1 ZINC000434675412 1088942392 /nfs/dbraw/zinc/94/23/92/1088942392.db2.gz YPNGIOPKGIZDPO-HNNXBMFYSA-N 2 2 374.554 4.153 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccccc2SC)[C@@H]1c1cnn(C)c1 ZINC000434729466 1088978086 /nfs/dbraw/zinc/97/80/86/1088978086.db2.gz WAUKQHHWJRQGLW-GHTZIAJQSA-N 2 2 372.582 4.047 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccccc2SC)[C@@H]1c1cnn(C)c1 ZINC000434729466 1088978094 /nfs/dbraw/zinc/97/80/94/1088978094.db2.gz WAUKQHHWJRQGLW-GHTZIAJQSA-N 2 2 372.582 4.047 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccccc2SC)[C@@H]1c1cnn(C)c1 ZINC000434729466 1088978099 /nfs/dbraw/zinc/97/80/99/1088978099.db2.gz WAUKQHHWJRQGLW-GHTZIAJQSA-N 2 2 372.582 4.047 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccccc2SC)[C@@H]1c1cnn(C)c1 ZINC000434729466 1088978102 /nfs/dbraw/zinc/97/81/02/1088978102.db2.gz WAUKQHHWJRQGLW-GHTZIAJQSA-N 2 2 372.582 4.047 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H](C)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434738347 1089008320 /nfs/dbraw/zinc/00/83/20/1089008320.db2.gz RSLPASGGCGPPAM-PLMTUMEDSA-N 2 2 358.505 4.025 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H](C)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434738347 1089008339 /nfs/dbraw/zinc/00/83/39/1089008339.db2.gz RSLPASGGCGPPAM-PLMTUMEDSA-N 2 2 358.505 4.025 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H](C)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434738347 1089008356 /nfs/dbraw/zinc/00/83/56/1089008356.db2.gz RSLPASGGCGPPAM-PLMTUMEDSA-N 2 2 358.505 4.025 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H](C)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434738347 1089008369 /nfs/dbraw/zinc/00/83/69/1089008369.db2.gz RSLPASGGCGPPAM-PLMTUMEDSA-N 2 2 358.505 4.025 20 0 FIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000415063948 1089103782 /nfs/dbraw/zinc/10/37/82/1089103782.db2.gz JIBATGKSCLLMEE-DYESRHJHSA-N 2 2 367.537 4.379 20 0 FIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000415063950 1089104925 /nfs/dbraw/zinc/10/49/25/1089104925.db2.gz JIBATGKSCLLMEE-UTKZUKDTSA-N 2 2 367.537 4.379 20 0 FIADLP Fc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c(Br)c1 ZINC000415109874 1089166263 /nfs/dbraw/zinc/16/62/63/1089166263.db2.gz RZXOMAFKBMPVSV-AEFFLSMTSA-N 2 2 363.274 4.171 20 0 FIADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000435371367 1089579272 /nfs/dbraw/zinc/57/92/72/1089579272.db2.gz MKCXAKHBQONPQS-MNOVXSKESA-N 2 2 356.322 4.286 20 0 FIADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000435371367 1089579284 /nfs/dbraw/zinc/57/92/84/1089579284.db2.gz MKCXAKHBQONPQS-MNOVXSKESA-N 2 2 356.322 4.286 20 0 FIADLP Fc1ccc2oc(C[N@H+](Cc3nccs3)[C@@H]3CC34CC[NH2+]CC4)cc2c1 ZINC000435433176 1089630849 /nfs/dbraw/zinc/63/08/49/1089630849.db2.gz QPWHGTMILDXRJX-GOSISDBHSA-N 2 2 371.481 4.173 20 0 FIADLP Fc1ccc2oc(C[N@@H+](Cc3nccs3)[C@@H]3CC34CC[NH2+]CC4)cc2c1 ZINC000435433176 1089630859 /nfs/dbraw/zinc/63/08/59/1089630859.db2.gz QPWHGTMILDXRJX-GOSISDBHSA-N 2 2 371.481 4.173 20 0 FIADLP CC[N@@H+](Cc1nsc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659974297 1090341811 /nfs/dbraw/zinc/34/18/11/1090341811.db2.gz ZWWGEILPUWUCGV-UHFFFAOYSA-N 2 2 366.534 4.430 20 0 FIADLP CC[N@H+](Cc1nsc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659974297 1090341818 /nfs/dbraw/zinc/34/18/18/1090341818.db2.gz ZWWGEILPUWUCGV-UHFFFAOYSA-N 2 2 366.534 4.430 20 0 FIADLP Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)cc1C ZINC000363936188 1090507218 /nfs/dbraw/zinc/50/72/18/1090507218.db2.gz DZEYWUWRYTXNGN-WBVHZDCISA-N 2 2 351.454 4.017 20 0 FIADLP Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)cc1C ZINC000363936188 1090507222 /nfs/dbraw/zinc/50/72/22/1090507222.db2.gz DZEYWUWRYTXNGN-WBVHZDCISA-N 2 2 351.454 4.017 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417309605 1090803316 /nfs/dbraw/zinc/80/33/16/1090803316.db2.gz JQJZOAZKAWWJCC-YAJHFMINSA-N 2 2 355.551 4.450 20 0 FIADLP CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000500129081 1091054825 /nfs/dbraw/zinc/05/48/25/1091054825.db2.gz KUAPQMRYGFOFHN-FQEVSTJZSA-N 2 2 358.526 4.092 20 0 FIADLP CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000500129081 1091054831 /nfs/dbraw/zinc/05/48/31/1091054831.db2.gz KUAPQMRYGFOFHN-FQEVSTJZSA-N 2 2 358.526 4.092 20 0 FIADLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390570452 1091270458 /nfs/dbraw/zinc/27/04/58/1091270458.db2.gz BJDDEEXVKRUJKJ-XXBNENTESA-N 2 2 368.521 4.027 20 0 FIADLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390570452 1091270473 /nfs/dbraw/zinc/27/04/73/1091270473.db2.gz BJDDEEXVKRUJKJ-XXBNENTESA-N 2 2 368.521 4.027 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000512214251 1091919292 /nfs/dbraw/zinc/91/92/92/1091919292.db2.gz VNXVXPVIKBFNIA-XLIONFOSSA-N 2 2 360.590 4.341 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000512214251 1091919294 /nfs/dbraw/zinc/91/92/94/1091919294.db2.gz VNXVXPVIKBFNIA-XLIONFOSSA-N 2 2 360.590 4.341 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512214251 1091919297 /nfs/dbraw/zinc/91/92/97/1091919297.db2.gz VNXVXPVIKBFNIA-XLIONFOSSA-N 2 2 360.590 4.341 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512214251 1091919300 /nfs/dbraw/zinc/91/93/00/1091919300.db2.gz VNXVXPVIKBFNIA-XLIONFOSSA-N 2 2 360.590 4.341 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000512214249 1091919683 /nfs/dbraw/zinc/91/96/83/1091919683.db2.gz VNXVXPVIKBFNIA-FXAWDEMLSA-N 2 2 360.590 4.341 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000512214249 1091919685 /nfs/dbraw/zinc/91/96/85/1091919685.db2.gz VNXVXPVIKBFNIA-FXAWDEMLSA-N 2 2 360.590 4.341 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512214249 1091919687 /nfs/dbraw/zinc/91/96/87/1091919687.db2.gz VNXVXPVIKBFNIA-FXAWDEMLSA-N 2 2 360.590 4.341 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512214249 1091919689 /nfs/dbraw/zinc/91/96/89/1091919689.db2.gz VNXVXPVIKBFNIA-FXAWDEMLSA-N 2 2 360.590 4.341 20 0 FIADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000512365274 1092163725 /nfs/dbraw/zinc/16/37/25/1092163725.db2.gz VLFQTIYBPDOUEO-UHFFFAOYSA-N 2 2 363.509 4.273 20 0 FIADLP Clc1cc(Cl)c2c(c1)C=C(C[NH+]1CCC(c3[nH]cc[nH+]3)CC1)CO2 ZINC000512389340 1092209419 /nfs/dbraw/zinc/20/94/19/1092209419.db2.gz KCXRQYLEXZDEDV-UHFFFAOYSA-N 2 2 364.276 4.372 20 0 FIADLP Cc1ccc(OC(F)F)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000520893589 1092345760 /nfs/dbraw/zinc/34/57/60/1092345760.db2.gz YHMHAVUAEGIPAO-UHFFFAOYSA-N 2 2 363.452 4.485 20 0 FIADLP CC(C)[C@@H](C[NH2+]Cc1cccc2cccnc21)[N@@H+]1CCc2ccccc2C1 ZINC000520950651 1092374989 /nfs/dbraw/zinc/37/49/89/1092374989.db2.gz ARDRFTYWPJCAIK-HSZRJFAPSA-N 2 2 359.517 4.407 20 0 FIADLP CC(C)[C@@H](C[NH2+]Cc1cccc2cccnc21)[N@H+]1CCc2ccccc2C1 ZINC000520950651 1092375002 /nfs/dbraw/zinc/37/50/02/1092375002.db2.gz ARDRFTYWPJCAIK-HSZRJFAPSA-N 2 2 359.517 4.407 20 0 FIADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000236608449 1092402501 /nfs/dbraw/zinc/40/25/01/1092402501.db2.gz SLZMXAWFGACGCZ-IBGZPJMESA-N 2 2 374.960 4.103 20 0 FIADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000236608449 1092402513 /nfs/dbraw/zinc/40/25/13/1092402513.db2.gz SLZMXAWFGACGCZ-IBGZPJMESA-N 2 2 374.960 4.103 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(F)cccc1N1CCCC1 ZINC000521513935 1092733473 /nfs/dbraw/zinc/73/34/73/1092733473.db2.gz ANWQLHBFWNXWRK-UHFFFAOYSA-N 2 2 358.505 4.097 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(F)cccc1N1CCCC1 ZINC000521513935 1092733475 /nfs/dbraw/zinc/73/34/75/1092733475.db2.gz ANWQLHBFWNXWRK-UHFFFAOYSA-N 2 2 358.505 4.097 20 0 FIADLP COCCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)cc1 ZINC000442800303 1092774618 /nfs/dbraw/zinc/77/46/18/1092774618.db2.gz ZNWSHRAJRPQAGA-HXUWFJFHSA-N 2 2 371.431 4.408 20 0 FIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)c(C)c1 ZINC000442822789 1092778763 /nfs/dbraw/zinc/77/87/63/1092778763.db2.gz XSWQTJGLBUWJFX-MHECFPHRSA-N 2 2 370.500 4.480 20 0 FIADLP COc1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1O ZINC000521695264 1092861361 /nfs/dbraw/zinc/86/13/61/1092861361.db2.gz NSBNLLLBHPRCSH-FXAWDEMLSA-N 2 2 365.477 4.306 20 0 FIADLP c1sc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1C1CC1 ZINC000512610962 1092989420 /nfs/dbraw/zinc/98/94/20/1092989420.db2.gz GQTPCBMLUAWHHH-SLFFLAALSA-N 2 2 367.562 4.411 20 0 FIADLP c1sc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1C1CC1 ZINC000512610962 1092989421 /nfs/dbraw/zinc/98/94/21/1092989421.db2.gz GQTPCBMLUAWHHH-SLFFLAALSA-N 2 2 367.562 4.411 20 0 FIADLP C[C@H]([NH2+]Cc1nc2ccccc2n1C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000522034544 1093044564 /nfs/dbraw/zinc/04/45/64/1093044564.db2.gz CWKKKEJYMFONCN-AZUAARDMSA-N 2 2 374.532 4.371 20 0 FIADLP C[C@H]([NH2+]Cc1nc2ccccc2n1C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000522034544 1093044570 /nfs/dbraw/zinc/04/45/70/1093044570.db2.gz CWKKKEJYMFONCN-AZUAARDMSA-N 2 2 374.532 4.371 20 0 FIADLP Brc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000522039021 1093047908 /nfs/dbraw/zinc/04/79/08/1093047908.db2.gz ASRWGNRIFARZJY-HOCLYGCPSA-N 2 2 360.299 4.087 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1Br ZINC000152227659 1093201152 /nfs/dbraw/zinc/20/11/52/1093201152.db2.gz BJRBXEJTDGXMBS-CQSZACIVSA-N 2 2 356.267 4.486 20 0 FIADLP C[NH+](C)Cc1cc(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)ccc1F ZINC000544354974 1093202908 /nfs/dbraw/zinc/20/29/08/1093202908.db2.gz YDZVRAKLIAXOSR-QFIPXVFZSA-N 2 2 367.443 4.301 20 0 FIADLP COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC000152260397 1093231086 /nfs/dbraw/zinc/23/10/86/1093231086.db2.gz PATCLOOKGPJRGB-CQSZACIVSA-N 2 2 371.868 4.394 20 0 FIADLP CCCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1OC ZINC000522284015 1093276664 /nfs/dbraw/zinc/27/66/64/1093276664.db2.gz WIUSWEYMGPMCFD-NRFANRHFSA-N 2 2 368.521 4.238 20 0 FIADLP CCCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1OC ZINC000522284015 1093276671 /nfs/dbraw/zinc/27/66/71/1093276671.db2.gz WIUSWEYMGPMCFD-NRFANRHFSA-N 2 2 368.521 4.238 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C[C@H]1C ZINC000443623551 1093345213 /nfs/dbraw/zinc/34/52/13/1093345213.db2.gz PURMMEJMIAMNBI-UZLBHIALSA-N 2 2 372.944 4.410 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C[C@H]1C ZINC000443623551 1093345222 /nfs/dbraw/zinc/34/52/22/1093345222.db2.gz PURMMEJMIAMNBI-UZLBHIALSA-N 2 2 372.944 4.410 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C[C@H]1C ZINC000443623551 1093345230 /nfs/dbraw/zinc/34/52/30/1093345230.db2.gz PURMMEJMIAMNBI-UZLBHIALSA-N 2 2 372.944 4.410 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C[C@H]1C ZINC000443623551 1093345243 /nfs/dbraw/zinc/34/52/43/1093345243.db2.gz PURMMEJMIAMNBI-UZLBHIALSA-N 2 2 372.944 4.410 20 0 FIADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419285205 1093433994 /nfs/dbraw/zinc/43/39/94/1093433994.db2.gz DHURIXUQUSMIKA-QGZVFWFLSA-N 2 2 357.542 4.052 20 0 FIADLP Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc(C2CC2)[nH+]1 ZINC000474180198 1093555777 /nfs/dbraw/zinc/55/57/77/1093555777.db2.gz CRTIWNQVBGYCBJ-QHCPKHFHSA-N 2 2 362.521 4.155 20 0 FIADLP Cc1cc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc(C2CC2)[nH+]1 ZINC000474180198 1093555783 /nfs/dbraw/zinc/55/57/83/1093555783.db2.gz CRTIWNQVBGYCBJ-QHCPKHFHSA-N 2 2 362.521 4.155 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C[C@H]3CCc4ccccc43)C2)CC1 ZINC000894141878 1093620170 /nfs/dbraw/zinc/62/01/70/1093620170.db2.gz MYPWMVLVXJYFAS-FAEJEUNOSA-N 2 2 352.444 4.111 20 0 FIADLP C[NH+](C)Cc1ccc(-c2noc([C@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)cc1 ZINC001211884880 1093631098 /nfs/dbraw/zinc/63/10/98/1093631098.db2.gz ICKYJEUEVBLSBE-VQTJNVASSA-N 2 2 362.477 4.354 20 0 FIADLP CCc1cccc(Cl)c1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000474370768 1093716923 /nfs/dbraw/zinc/71/69/23/1093716923.db2.gz MVKATEBAPGSYBH-UHFFFAOYSA-N 2 2 358.913 4.024 20 0 FIADLP COc1ccc2nc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)sc2c1 ZINC000474366375 1093720225 /nfs/dbraw/zinc/72/02/25/1093720225.db2.gz NBWFPDVQXHNLFY-UHFFFAOYSA-N 2 2 367.518 4.059 20 0 FIADLP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3c(F)ccc(O)c3F)cc2)C1 ZINC000509901369 1093788040 /nfs/dbraw/zinc/78/80/40/1093788040.db2.gz QFGWUCNGYKJMRO-HNNXBMFYSA-N 2 2 360.448 4.192 20 0 FIADLP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3c(F)ccc(O)c3F)cc2)C1 ZINC000509901369 1093788046 /nfs/dbraw/zinc/78/80/46/1093788046.db2.gz QFGWUCNGYKJMRO-HNNXBMFYSA-N 2 2 360.448 4.192 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513226145 1094020846 /nfs/dbraw/zinc/02/08/46/1094020846.db2.gz HKPVNBQHCPFUOJ-AVRDEDQJSA-N 3 2 369.528 4.030 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000513226145 1094020852 /nfs/dbraw/zinc/02/08/52/1094020852.db2.gz HKPVNBQHCPFUOJ-AVRDEDQJSA-N 3 2 369.528 4.030 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000513350410 1094073594 /nfs/dbraw/zinc/07/35/94/1094073594.db2.gz HSWGNYLHCNHDKB-BAMDZGJYSA-N 3 2 369.597 4.282 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000513350410 1094073599 /nfs/dbraw/zinc/07/35/99/1094073599.db2.gz HSWGNYLHCNHDKB-BAMDZGJYSA-N 3 2 369.597 4.282 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000513350410 1094073606 /nfs/dbraw/zinc/07/36/06/1094073606.db2.gz HSWGNYLHCNHDKB-BAMDZGJYSA-N 3 2 369.597 4.282 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000513350410 1094073614 /nfs/dbraw/zinc/07/36/14/1094073614.db2.gz HSWGNYLHCNHDKB-BAMDZGJYSA-N 3 2 369.597 4.282 20 0 FIADLP c1nc(-c2ccncc2)sc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513424766 1094115978 /nfs/dbraw/zinc/11/59/78/1094115978.db2.gz KBFGVJMTJJXUFA-SFHVURJKSA-N 2 2 370.566 4.293 20 0 FIADLP c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513424766 1094115979 /nfs/dbraw/zinc/11/59/79/1094115979.db2.gz KBFGVJMTJJXUFA-SFHVURJKSA-N 2 2 370.566 4.293 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513462352 1094140410 /nfs/dbraw/zinc/14/04/10/1094140410.db2.gz UZLGSXNVEZVFNA-UHFFFAOYSA-N 2 2 374.532 4.277 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513462352 1094140414 /nfs/dbraw/zinc/14/04/14/1094140414.db2.gz UZLGSXNVEZVFNA-UHFFFAOYSA-N 2 2 374.532 4.277 20 0 FIADLP CCSc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000434016325 1094239066 /nfs/dbraw/zinc/23/90/66/1094239066.db2.gz HMYUUDAAOHBKPA-FPOVZHCZSA-N 2 2 355.551 4.318 20 0 FIADLP CCSc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000434016325 1094239070 /nfs/dbraw/zinc/23/90/70/1094239070.db2.gz HMYUUDAAOHBKPA-FPOVZHCZSA-N 2 2 355.551 4.318 20 0 FIADLP CCSc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000434016325 1094239073 /nfs/dbraw/zinc/23/90/73/1094239073.db2.gz HMYUUDAAOHBKPA-FPOVZHCZSA-N 2 2 355.551 4.318 20 0 FIADLP CCSc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000434016325 1094239077 /nfs/dbraw/zinc/23/90/77/1094239077.db2.gz HMYUUDAAOHBKPA-FPOVZHCZSA-N 2 2 355.551 4.318 20 0 FIADLP COc1ccc(C2(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)CCC2)cc1 ZINC000544365453 1094308519 /nfs/dbraw/zinc/30/85/19/1094308519.db2.gz JRASYOZFSUKGEN-UHFFFAOYSA-N 2 2 370.459 4.123 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(Cl)ccc1OCC1CC1)CCC2 ZINC000430031601 1094376373 /nfs/dbraw/zinc/37/63/73/1094376373.db2.gz MCKYXNVMNKPHEZ-MRXNPFEDSA-N 2 2 359.901 4.301 20 0 FIADLP Cc1ccccc1-n1nccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000474805188 1094641356 /nfs/dbraw/zinc/64/13/56/1094641356.db2.gz SYESUEVFIBRBMU-IRLDBZIGSA-N 2 2 374.532 4.323 20 0 FIADLP Cc1ccccc1-n1nccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000474805188 1094641361 /nfs/dbraw/zinc/64/13/61/1094641361.db2.gz SYESUEVFIBRBMU-IRLDBZIGSA-N 2 2 374.532 4.323 20 0 FIADLP C[C@H](C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1)Cn1cc[nH+]c1 ZINC000501375326 1094668822 /nfs/dbraw/zinc/66/88/22/1094668822.db2.gz ABBYVMAMIADQQN-MRXNPFEDSA-N 2 2 355.432 4.219 20 0 FIADLP CCc1cc(OC)ccc1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000501421558 1094702640 /nfs/dbraw/zinc/70/26/40/1094702640.db2.gz NCDCEPKXEXXTGO-UHFFFAOYSA-N 2 2 356.485 4.151 20 0 FIADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000522545278 1095109314 /nfs/dbraw/zinc/10/93/14/1095109314.db2.gz KAUHOYODFPWNEE-WBMJQRKESA-N 2 2 374.356 4.276 20 0 FIADLP CC(C)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000420941289 1095181586 /nfs/dbraw/zinc/18/15/86/1095181586.db2.gz SPFQAWMTNWBXCS-JOCHJYFZSA-N 2 2 356.485 4.145 20 0 FIADLP C[C@@H]1C[C@]1([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000420946609 1095188315 /nfs/dbraw/zinc/18/83/15/1095188315.db2.gz BCIWIYHZVPGXSH-VGOFRKELSA-N 2 2 370.924 4.197 20 0 FIADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc2n1 ZINC000502306102 1095330083 /nfs/dbraw/zinc/33/00/83/1095330083.db2.gz ZIPYJUJASPNKRC-GOSISDBHSA-N 2 2 360.505 4.456 20 0 FIADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc2n1 ZINC000502306102 1095330101 /nfs/dbraw/zinc/33/01/01/1095330101.db2.gz ZIPYJUJASPNKRC-GOSISDBHSA-N 2 2 360.505 4.456 20 0 FIADLP FC(F)Oc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502308592 1095357383 /nfs/dbraw/zinc/35/73/83/1095357383.db2.gz HRDKDYLCNNKWEM-MRXNPFEDSA-N 2 2 361.436 4.200 20 0 FIADLP FC(F)Oc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502308592 1095357401 /nfs/dbraw/zinc/35/74/01/1095357401.db2.gz HRDKDYLCNNKWEM-MRXNPFEDSA-N 2 2 361.436 4.200 20 0 FIADLP Clc1cc2c(c(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c1)OCC2 ZINC000502315956 1095367301 /nfs/dbraw/zinc/36/73/01/1095367301.db2.gz XRUKMTCQHLNFGB-MRXNPFEDSA-N 2 2 371.912 4.187 20 0 FIADLP Clc1cc2c(c(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c1)OCC2 ZINC000502315956 1095367321 /nfs/dbraw/zinc/36/73/21/1095367321.db2.gz XRUKMTCQHLNFGB-MRXNPFEDSA-N 2 2 371.912 4.187 20 0 FIADLP C[C@H]1CCc2nc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)sc2C1 ZINC000502337301 1095372472 /nfs/dbraw/zinc/37/24/72/1095372472.db2.gz XDRQHYIXVLRCLM-HOTGVXAUSA-N 2 2 370.566 4.180 20 0 FIADLP C[C@H]1CCc2nc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)sc2C1 ZINC000502337301 1095372488 /nfs/dbraw/zinc/37/24/88/1095372488.db2.gz XDRQHYIXVLRCLM-HOTGVXAUSA-N 2 2 370.566 4.180 20 0 FIADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc2cccnc12 ZINC000502344778 1095381454 /nfs/dbraw/zinc/38/14/54/1095381454.db2.gz JILPFCPQWRMANQ-HXUWFJFHSA-N 2 2 360.505 4.456 20 0 FIADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc2cccnc12 ZINC000502344778 1095381476 /nfs/dbraw/zinc/38/14/76/1095381476.db2.gz JILPFCPQWRMANQ-HXUWFJFHSA-N 2 2 360.505 4.456 20 0 FIADLP CCCOc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502328944 1095386996 /nfs/dbraw/zinc/38/69/96/1095386996.db2.gz YSOXDWMOCRALOA-LJQANCHMSA-N 2 2 353.510 4.388 20 0 FIADLP CCCOc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502328944 1095387019 /nfs/dbraw/zinc/38/70/19/1095387019.db2.gz YSOXDWMOCRALOA-LJQANCHMSA-N 2 2 353.510 4.388 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443991145 1095589725 /nfs/dbraw/zinc/58/97/25/1095589725.db2.gz TVZKJDFCFSIYFK-CJNGLKHVSA-N 2 2 369.456 4.162 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443991145 1095589734 /nfs/dbraw/zinc/58/97/34/1095589734.db2.gz TVZKJDFCFSIYFK-CJNGLKHVSA-N 2 2 369.456 4.162 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(C(F)(F)F)s2)CC[N@@H+]1Cc1ccccc1 ZINC000444000550 1095598643 /nfs/dbraw/zinc/59/86/43/1095598643.db2.gz HCSGAJWPBKPYJC-UKRRQHHQSA-N 2 2 369.456 4.305 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(C(F)(F)F)s2)CC[N@H+]1Cc1ccccc1 ZINC000444000550 1095598654 /nfs/dbraw/zinc/59/86/54/1095598654.db2.gz HCSGAJWPBKPYJC-UKRRQHHQSA-N 2 2 369.456 4.305 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cnn(C2CCCC2)c1 ZINC000502695807 1095719011 /nfs/dbraw/zinc/71/90/11/1095719011.db2.gz ALIKARZTHSYJLU-SFHVURJKSA-N 2 2 352.526 4.313 20 0 FIADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)nn1C ZINC000502707063 1095733987 /nfs/dbraw/zinc/73/39/87/1095733987.db2.gz JXZYBOSBXHGATB-LNLFQRSKSA-N 2 2 354.542 4.057 20 0 FIADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000444164440 1095791900 /nfs/dbraw/zinc/79/19/00/1095791900.db2.gz FNLZDSCBPKDUIY-QFIPXVFZSA-N 2 2 365.521 4.245 20 0 FIADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000444164440 1095791903 /nfs/dbraw/zinc/79/19/03/1095791903.db2.gz FNLZDSCBPKDUIY-QFIPXVFZSA-N 2 2 365.521 4.245 20 0 FIADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000444164440 1095791912 /nfs/dbraw/zinc/79/19/12/1095791912.db2.gz FNLZDSCBPKDUIY-QFIPXVFZSA-N 2 2 365.521 4.245 20 0 FIADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000444164440 1095791923 /nfs/dbraw/zinc/79/19/23/1095791923.db2.gz FNLZDSCBPKDUIY-QFIPXVFZSA-N 2 2 365.521 4.245 20 0 FIADLP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502780129 1095845547 /nfs/dbraw/zinc/84/55/47/1095845547.db2.gz HJKKMFXJYSAOIQ-HXUWFJFHSA-N 2 2 367.472 4.338 20 0 FIADLP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502780129 1095845564 /nfs/dbraw/zinc/84/55/64/1095845564.db2.gz HJKKMFXJYSAOIQ-HXUWFJFHSA-N 2 2 367.472 4.338 20 0 FIADLP c1[nH+]c(C2CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)n2c1CCCC2 ZINC000502854727 1095907188 /nfs/dbraw/zinc/90/71/88/1095907188.db2.gz GZZLQSMROZTCBY-UHFFFAOYSA-N 2 2 362.477 4.254 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccncc1Cl ZINC000421818874 1095951948 /nfs/dbraw/zinc/95/19/48/1095951948.db2.gz CXOZRMOZFBMPFL-ZACQAIPSSA-N 2 2 373.928 4.195 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccncc1Cl ZINC000421818871 1095952572 /nfs/dbraw/zinc/95/25/72/1095952572.db2.gz CXOZRMOZFBMPFL-BBWFWOEESA-N 2 2 373.928 4.195 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccncc1Cl ZINC000421818871 1095952575 /nfs/dbraw/zinc/95/25/75/1095952575.db2.gz CXOZRMOZFBMPFL-BBWFWOEESA-N 2 2 373.928 4.195 20 0 FIADLP CCc1nc(C)c([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)s1 ZINC000272202474 1096164071 /nfs/dbraw/zinc/16/40/71/1096164071.db2.gz JFOSEXQHWBFQHY-AWEZNQCLSA-N 2 2 373.570 4.112 20 0 FIADLP CCCCCn1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(C)n1 ZINC000503244791 1096326174 /nfs/dbraw/zinc/32/61/74/1096326174.db2.gz KKBSVNOIXSNUOD-UHFFFAOYSA-N 2 2 354.542 4.136 20 0 FIADLP Clc1ccc(OCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503408229 1096387988 /nfs/dbraw/zinc/38/79/88/1096387988.db2.gz PWFVMDGXHGXGTQ-INIZCTEOSA-N 2 2 359.901 4.131 20 0 FIADLP Clc1ccc(OCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503408229 1096387997 /nfs/dbraw/zinc/38/79/97/1096387997.db2.gz PWFVMDGXHGXGTQ-INIZCTEOSA-N 2 2 359.901 4.131 20 0 FIADLP COCC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503428741 1096394806 /nfs/dbraw/zinc/39/48/06/1096394806.db2.gz HWXRJOBXUYDVNE-PZJWPPBQSA-N 2 2 353.510 4.177 20 0 FIADLP COCC[C@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503428741 1096394815 /nfs/dbraw/zinc/39/48/15/1096394815.db2.gz HWXRJOBXUYDVNE-PZJWPPBQSA-N 2 2 353.510 4.177 20 0 FIADLP Clc1ccccc1OCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503434927 1096398830 /nfs/dbraw/zinc/39/88/30/1096398830.db2.gz LJCZSRRGYUUNSW-MRXNPFEDSA-N 2 2 359.901 4.131 20 0 FIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422747203 1096480954 /nfs/dbraw/zinc/48/09/54/1096480954.db2.gz PMCLBCJLKAMUGC-HGSOSGBHSA-N 3 2 355.570 4.112 20 0 FIADLP CCC(CC)(C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)[NH2+][C@@H](C)c1ccccc1 ZINC000422772638 1096487877 /nfs/dbraw/zinc/48/78/77/1096487877.db2.gz XHRNQRNPOJVJHL-ZWKOTPCHSA-N 3 2 368.569 4.409 20 0 FIADLP CCC(CC)(C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)[NH2+][C@@H](C)c1ccccc1 ZINC000422772636 1096487922 /nfs/dbraw/zinc/48/79/22/1096487922.db2.gz XHRNQRNPOJVJHL-ROUUACIJSA-N 3 2 368.569 4.409 20 0 FIADLP COc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2Cl)cc1 ZINC000422926677 1096527594 /nfs/dbraw/zinc/52/75/94/1096527594.db2.gz XIHNHXYLHXXJGH-KWRFEPJMSA-N 2 2 356.897 4.311 20 0 FIADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(F)c(Cl)cc1Cl ZINC000423184378 1096596637 /nfs/dbraw/zinc/59/66/37/1096596637.db2.gz HSJQUDARAUGWNF-LBPRGKRZSA-N 2 2 356.272 4.358 20 0 FIADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cc1 ZINC000423264581 1096626797 /nfs/dbraw/zinc/62/67/97/1096626797.db2.gz AEUDCCJFWRRCQA-QGZVFWFLSA-N 2 2 360.546 4.180 20 0 FIADLP C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423424678 1096670619 /nfs/dbraw/zinc/67/06/19/1096670619.db2.gz NJBACIVKHKDZGF-YWZLYKJASA-N 2 2 362.477 4.408 20 0 FIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000423505632 1096700450 /nfs/dbraw/zinc/70/04/50/1096700450.db2.gz OPSSLONOJPBQLI-HRAATJIYSA-N 2 2 368.525 4.130 20 0 FIADLP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)s1 ZINC000423574766 1096723881 /nfs/dbraw/zinc/72/38/81/1096723881.db2.gz PPHNTDWOTFGVTK-HNNXBMFYSA-N 2 2 363.958 4.046 20 0 FIADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc2ccccc2c1OC(F)F ZINC000515530183 1098669031 /nfs/dbraw/zinc/66/90/31/1098669031.db2.gz VZALYEDERYUZGE-TZMCWYRMSA-N 2 2 357.404 4.372 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(NCc3c(F)cccc3Cl)[nH+]c2)CC1 ZINC000533187519 1098856520 /nfs/dbraw/zinc/85/65/20/1098856520.db2.gz JVYHZVSHIBWPFF-UHFFFAOYSA-N 2 2 362.880 4.017 20 0 FIADLP CC[C@@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@@H+]1Cc1ccccc1 ZINC000455480921 1099251180 /nfs/dbraw/zinc/25/11/80/1099251180.db2.gz HJJOLKHNWGUNQY-HXUWFJFHSA-N 2 2 366.509 4.135 20 0 FIADLP CC[C@@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000455480921 1099251192 /nfs/dbraw/zinc/25/11/92/1099251192.db2.gz HJJOLKHNWGUNQY-HXUWFJFHSA-N 2 2 366.509 4.135 20 0 FIADLP CC[NH+](CC)CCCC1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000455480011 1099263279 /nfs/dbraw/zinc/26/32/79/1099263279.db2.gz GTHUPXAKTPWWRE-UHFFFAOYSA-N 2 2 360.546 4.373 20 0 FIADLP Fc1ccccc1OC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000459386207 1099268520 /nfs/dbraw/zinc/26/85/20/1099268520.db2.gz AWOITXFFHWVYNX-OAQYLSRUSA-N 2 2 354.469 4.162 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC000455507273 1099290931 /nfs/dbraw/zinc/29/09/31/1099290931.db2.gz YYOVFZSJWSFMNJ-OXQOHEQNSA-N 2 2 366.509 4.039 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC000455507273 1099290938 /nfs/dbraw/zinc/29/09/38/1099290938.db2.gz YYOVFZSJWSFMNJ-OXQOHEQNSA-N 2 2 366.509 4.039 20 0 FIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)o1 ZINC000237367879 1099445053 /nfs/dbraw/zinc/44/50/53/1099445053.db2.gz PLSYEMBLULVYGF-IERDGZPVSA-N 2 2 353.510 4.228 20 0 FIADLP COc1ccc(OC)c([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000237406771 1099486163 /nfs/dbraw/zinc/48/61/63/1099486163.db2.gz YXVRAEAIKCWGJO-GOSISDBHSA-N 2 2 368.521 4.062 20 0 FIADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000437132409 1099628698 /nfs/dbraw/zinc/62/86/98/1099628698.db2.gz PQIHMMNHXFDBOG-NRFANRHFSA-N 2 2 364.537 4.157 20 0 FIADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000437132409 1099628705 /nfs/dbraw/zinc/62/87/05/1099628705.db2.gz PQIHMMNHXFDBOG-NRFANRHFSA-N 2 2 364.537 4.157 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000437131860 1099630792 /nfs/dbraw/zinc/63/07/92/1099630792.db2.gz NNVPOTBHXMSDCM-FQEVSTJZSA-N 2 2 352.526 4.013 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000437131860 1099630797 /nfs/dbraw/zinc/63/07/97/1099630797.db2.gz NNVPOTBHXMSDCM-FQEVSTJZSA-N 2 2 352.526 4.013 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437699484 1100111364 /nfs/dbraw/zinc/11/13/64/1100111364.db2.gz IMCRGXRJHLZLSO-DLBZAZTESA-N 2 2 358.555 4.225 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437699484 1100111374 /nfs/dbraw/zinc/11/13/74/1100111374.db2.gz IMCRGXRJHLZLSO-DLBZAZTESA-N 2 2 358.555 4.225 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437699484 1100111380 /nfs/dbraw/zinc/11/13/80/1100111380.db2.gz IMCRGXRJHLZLSO-DLBZAZTESA-N 2 2 358.555 4.225 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437699484 1100111387 /nfs/dbraw/zinc/11/13/87/1100111387.db2.gz IMCRGXRJHLZLSO-DLBZAZTESA-N 2 2 358.555 4.225 20 0 FIADLP CCOc1ccccc1C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000536662905 1100137383 /nfs/dbraw/zinc/13/73/83/1100137383.db2.gz IMESIJWUWPLCLO-UHFFFAOYSA-N 2 2 353.510 4.219 20 0 FIADLP CCOc1ccccc1C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000536662905 1100137387 /nfs/dbraw/zinc/13/73/87/1100137387.db2.gz IMESIJWUWPLCLO-UHFFFAOYSA-N 2 2 353.510 4.219 20 0 FIADLP C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000536665608 1100139463 /nfs/dbraw/zinc/13/94/63/1100139463.db2.gz UBTGQVCAOVYEQB-AVRDEDQJSA-N 3 2 373.585 4.031 20 0 FIADLP C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000536665608 1100139473 /nfs/dbraw/zinc/13/94/73/1100139473.db2.gz UBTGQVCAOVYEQB-AVRDEDQJSA-N 3 2 373.585 4.031 20 0 FIADLP COc1ccc(OC)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000536674494 1100160950 /nfs/dbraw/zinc/16/09/50/1100160950.db2.gz RDUBGELCQUUJPN-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(OC)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000536674494 1100160957 /nfs/dbraw/zinc/16/09/57/1100160957.db2.gz RDUBGELCQUUJPN-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(OC)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000536674494 1100160964 /nfs/dbraw/zinc/16/09/64/1100160964.db2.gz RDUBGELCQUUJPN-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(OC)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000536674494 1100160971 /nfs/dbraw/zinc/16/09/71/1100160971.db2.gz RDUBGELCQUUJPN-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(C)c(Br)s2)C1 ZINC000536675221 1100163949 /nfs/dbraw/zinc/16/39/49/1100163949.db2.gz GAPAAQJARMEGMR-CYBMUJFWSA-N 2 2 368.344 4.415 20 0 FIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(C)c(Br)s2)C1 ZINC000536675221 1100163958 /nfs/dbraw/zinc/16/39/58/1100163958.db2.gz GAPAAQJARMEGMR-CYBMUJFWSA-N 2 2 368.344 4.415 20 0 FIADLP C[C@H](CC[NH2+]Cc1ccc(Br)o1)[N@H+](C)Cc1ccccc1 ZINC000379619938 1100218012 /nfs/dbraw/zinc/21/80/12/1100218012.db2.gz CDUAIVFXYQSBEZ-CQSZACIVSA-N 2 2 351.288 4.042 20 0 FIADLP C[C@H](CC[NH2+]Cc1ccc(Br)o1)[N@@H+](C)Cc1ccccc1 ZINC000379619938 1100218033 /nfs/dbraw/zinc/21/80/33/1100218033.db2.gz CDUAIVFXYQSBEZ-CQSZACIVSA-N 2 2 351.288 4.042 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000191483340 1100244157 /nfs/dbraw/zinc/24/41/57/1100244157.db2.gz YZEJHKPDDZZVIQ-UHFFFAOYSA-N 2 2 356.445 4.152 20 0 FIADLP C[N@H+](Cc1c[nH]nc1-c1ccsc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000438122682 1100444591 /nfs/dbraw/zinc/44/45/91/1100444591.db2.gz WSRMKXHZYLWIJY-UHFFFAOYSA-N 2 2 366.534 4.235 20 0 FIADLP C[N@@H+](Cc1c[nH]nc1-c1ccsc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000438122682 1100444596 /nfs/dbraw/zinc/44/45/96/1100444596.db2.gz WSRMKXHZYLWIJY-UHFFFAOYSA-N 2 2 366.534 4.235 20 0 FIADLP C[C@@H](C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)Cn1cc[nH+]c1 ZINC000517558057 1100482942 /nfs/dbraw/zinc/48/29/42/1100482942.db2.gz ZBCUONQFWBUHIR-AWEZNQCLSA-N 2 2 374.282 4.332 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@@H](C(F)(F)F)C3)[nH+]c2)CC1 ZINC000438181818 1100485856 /nfs/dbraw/zinc/48/58/56/1100485856.db2.gz SLQMNRDQTTWDQJ-HUUCEWRRSA-N 2 2 370.463 4.145 20 0 FIADLP Cc1ccc2cc([C@@H](C)Nc3ccc(N4CC[C@H]([NH+](C)C)C4)c[nH+]3)oc2c1 ZINC000426057915 1100736836 /nfs/dbraw/zinc/73/68/36/1100736836.db2.gz CKBBYFXITLFFMD-APWZRJJASA-N 2 2 364.493 4.450 20 0 FIADLP c1cn(-c2ccc(C[NH2+]CCCO[C@@H]3CCCc4ccccc43)cc2)c[nH+]1 ZINC000506308621 1100841036 /nfs/dbraw/zinc/84/10/36/1100841036.db2.gz QHIOYLWBIXFKQM-HSZRJFAPSA-N 2 2 361.489 4.446 20 0 FIADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414948151 1100900305 /nfs/dbraw/zinc/90/03/05/1100900305.db2.gz XTYORKVGYCBRFH-JTSKRJEESA-N 2 2 361.489 4.155 20 0 FIADLP c1ccc(COc2cccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)c2)nc1 ZINC000506366824 1100930714 /nfs/dbraw/zinc/93/07/14/1100930714.db2.gz BNYRPNCDUMBCFY-UHFFFAOYSA-N 2 2 365.521 4.111 20 0 FIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000518272650 1101055963 /nfs/dbraw/zinc/05/59/63/1101055963.db2.gz NCTPBQHFLDGZGU-JOCHJYFZSA-N 2 2 360.505 4.113 20 0 FIADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000518272650 1101055970 /nfs/dbraw/zinc/05/59/70/1101055970.db2.gz NCTPBQHFLDGZGU-JOCHJYFZSA-N 2 2 360.505 4.113 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(-c3ccccc3)no2)C1 ZINC000506475062 1101109144 /nfs/dbraw/zinc/10/91/44/1101109144.db2.gz RWPXPQOOUAKRGX-MOPGFXCFSA-N 2 2 353.510 4.428 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(-c3ccccc3)no2)C1 ZINC000506475062 1101109150 /nfs/dbraw/zinc/10/91/50/1101109150.db2.gz RWPXPQOOUAKRGX-MOPGFXCFSA-N 2 2 353.510 4.428 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000506475062 1101109154 /nfs/dbraw/zinc/10/91/54/1101109154.db2.gz RWPXPQOOUAKRGX-MOPGFXCFSA-N 2 2 353.510 4.428 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000506475062 1101109158 /nfs/dbraw/zinc/10/91/58/1101109158.db2.gz RWPXPQOOUAKRGX-MOPGFXCFSA-N 2 2 353.510 4.428 20 0 FIADLP Cc1cc([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)ccc1F ZINC000536956235 1101370946 /nfs/dbraw/zinc/37/09/46/1101370946.db2.gz UIBCFSBSDMSLGI-HSZRJFAPSA-N 2 2 368.496 4.207 20 0 FIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000537242981 1101580472 /nfs/dbraw/zinc/58/04/72/1101580472.db2.gz WIYVGLKYIVOKLK-HNNXBMFYSA-N 2 2 371.916 4.198 20 0 FIADLP Fc1ccc(Br)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167965637 1101901230 /nfs/dbraw/zinc/90/12/30/1101901230.db2.gz IVFOTXWSHIOYRL-ALOPSCKCSA-N 2 2 367.306 4.083 20 0 FIADLP Fc1ccc(Br)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167965637 1101901235 /nfs/dbraw/zinc/90/12/35/1101901235.db2.gz IVFOTXWSHIOYRL-ALOPSCKCSA-N 2 2 367.306 4.083 20 0 FIADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000760332156 1101921787 /nfs/dbraw/zinc/92/17/87/1101921787.db2.gz WWXYLHBAYBZBII-WMZOPIPTSA-N 2 2 369.336 4.214 20 0 FIADLP C[C@H](C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cc(F)cc(F)c1 ZINC000648462543 1102014254 /nfs/dbraw/zinc/01/42/54/1102014254.db2.gz JCKVHQXSISIPOX-FOIQADDNSA-N 2 2 355.432 4.375 20 0 FIADLP CCn1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000537630683 1102271275 /nfs/dbraw/zinc/27/12/75/1102271275.db2.gz BZEWVSLPWORQDB-LAUBAEHRSA-N 2 2 354.542 4.005 20 0 FIADLP CCn1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000537630683 1102271283 /nfs/dbraw/zinc/27/12/83/1102271283.db2.gz BZEWVSLPWORQDB-LAUBAEHRSA-N 2 2 354.542 4.005 20 0 FIADLP CCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000537630683 1102271287 /nfs/dbraw/zinc/27/12/87/1102271287.db2.gz BZEWVSLPWORQDB-LAUBAEHRSA-N 2 2 354.542 4.005 20 0 FIADLP CCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000537630683 1102271296 /nfs/dbraw/zinc/27/12/96/1102271296.db2.gz BZEWVSLPWORQDB-LAUBAEHRSA-N 2 2 354.542 4.005 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000090667060 1102304162 /nfs/dbraw/zinc/30/41/62/1102304162.db2.gz MYANDXMSZQSXOI-OXQOHEQNSA-N 2 2 353.535 4.434 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(OC)cc1 ZINC000090667237 1102305798 /nfs/dbraw/zinc/30/57/98/1102305798.db2.gz KVSZWBIZYJWANH-VGSWGCGISA-N 2 2 353.510 4.357 20 0 FIADLP Fc1ccc(COc2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2)cc1 ZINC000111243638 1102492224 /nfs/dbraw/zinc/49/22/24/1102492224.db2.gz UOBBDNDDQAMSHW-UHFFFAOYSA-N 2 2 365.452 4.438 20 0 FIADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000111243808 1102492282 /nfs/dbraw/zinc/49/22/82/1102492282.db2.gz ZLVAGGDNNIVEAU-UHFFFAOYSA-N 2 2 372.557 4.014 20 0 FIADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)s2)cc1 ZINC000537650426 1102692370 /nfs/dbraw/zinc/69/23/70/1102692370.db2.gz DKVQFYZKXGBJGU-GOSISDBHSA-N 2 2 355.551 4.426 20 0 FIADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)s2)cc1 ZINC000537650426 1102692377 /nfs/dbraw/zinc/69/23/77/1102692377.db2.gz DKVQFYZKXGBJGU-GOSISDBHSA-N 2 2 355.551 4.426 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cn1 ZINC000126335676 1102702719 /nfs/dbraw/zinc/70/27/19/1102702719.db2.gz YXNXTXGGICHQFT-SFHVURJKSA-N 2 2 368.868 4.233 20 0 FIADLP CC[N@@H+](Cc1cc(OC)ccc1OC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537659482 1102761500 /nfs/dbraw/zinc/76/15/00/1102761500.db2.gz VMJWTBKSPFVUCL-FQEVSTJZSA-N 2 2 368.521 4.048 20 0 FIADLP CC[N@H+](Cc1cc(OC)ccc1OC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537659482 1102761513 /nfs/dbraw/zinc/76/15/13/1102761513.db2.gz VMJWTBKSPFVUCL-FQEVSTJZSA-N 2 2 368.521 4.048 20 0 FIADLP CC[NH+](Cc1cc(OC)ccc1OC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537659482 1102761526 /nfs/dbraw/zinc/76/15/26/1102761526.db2.gz VMJWTBKSPFVUCL-FQEVSTJZSA-N 2 2 368.521 4.048 20 0 FIADLP CC[NH+](Cc1cc(OC)ccc1OC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537659482 1102761529 /nfs/dbraw/zinc/76/15/29/1102761529.db2.gz VMJWTBKSPFVUCL-FQEVSTJZSA-N 2 2 368.521 4.048 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC2CC2)C[C@@H]1c1ccccc1 ZINC000551051004 1102886472 /nfs/dbraw/zinc/88/64/72/1102886472.db2.gz MFANXCOBLBXERG-FCHUYYIVSA-N 2 2 350.506 4.401 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC2CC2)C[C@@H]1c1ccccc1 ZINC000551051004 1102886482 /nfs/dbraw/zinc/88/64/82/1102886482.db2.gz MFANXCOBLBXERG-FCHUYYIVSA-N 2 2 350.506 4.401 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C[C@H]1c1ccccc1 ZINC000551169976 1102945562 /nfs/dbraw/zinc/94/55/62/1102945562.db2.gz NXFZFSXXMGQOOF-UXHICEINSA-N 2 2 356.897 4.200 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C[C@H]1c1ccccc1 ZINC000551169976 1102945564 /nfs/dbraw/zinc/94/55/64/1102945564.db2.gz NXFZFSXXMGQOOF-UXHICEINSA-N 2 2 356.897 4.200 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000551175191 1102950204 /nfs/dbraw/zinc/95/02/04/1102950204.db2.gz IDNABXXJGTXBTC-ACRUOGEOSA-N 2 2 358.913 4.453 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000551175191 1102950208 /nfs/dbraw/zinc/95/02/08/1102950208.db2.gz IDNABXXJGTXBTC-ACRUOGEOSA-N 2 2 358.913 4.453 20 0 FIADLP Fc1ccc(OC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c(F)c1 ZINC000506909287 1102961252 /nfs/dbraw/zinc/96/12/52/1102961252.db2.gz KBXBYUVCUKTPQB-UHFFFAOYSA-N 2 2 369.415 4.194 20 0 FIADLP COc1ccc(OC)c(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)c1 ZINC000506947667 1102987381 /nfs/dbraw/zinc/98/73/81/1102987381.db2.gz OJPBNEBVWDDHBR-UHFFFAOYSA-N 2 2 363.461 4.054 20 0 FIADLP COc1ccc(OC)c(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)c1 ZINC000506947667 1102987388 /nfs/dbraw/zinc/98/73/88/1102987388.db2.gz OJPBNEBVWDDHBR-UHFFFAOYSA-N 2 2 363.461 4.054 20 0 FIADLP COc1cc(Cl)c(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000532827767 1103242934 /nfs/dbraw/zinc/24/29/34/1103242934.db2.gz ANRFWLRVURZRFD-GFCCVEGCSA-N 2 2 354.281 4.174 20 0 FIADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000507377065 1103333254 /nfs/dbraw/zinc/33/32/54/1103333254.db2.gz HQQJRPNISWUVLE-SFHVURJKSA-N 2 2 362.477 4.112 20 0 FIADLP COc1ncc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1Cl ZINC000551532909 1103333696 /nfs/dbraw/zinc/33/36/96/1103333696.db2.gz ILVBCNKBPMZFLO-LBPRGKRZSA-N 2 2 374.847 4.228 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2SCCc3ccccc32)CC1 ZINC000507489037 1103436073 /nfs/dbraw/zinc/43/60/73/1103436073.db2.gz VYEMCGRZKSRTMB-QGZVFWFLSA-N 2 2 358.473 4.023 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000507523795 1103469128 /nfs/dbraw/zinc/46/91/28/1103469128.db2.gz IPBGUICLXHQMQQ-STQMWFEESA-N 2 2 360.386 4.362 20 0 FIADLP CCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000538197879 1104032909 /nfs/dbraw/zinc/03/29/09/1104032909.db2.gz SCXPUKDQGPVZFV-NRFANRHFSA-N 2 2 357.929 4.483 20 0 FIADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441409134 1104337240 /nfs/dbraw/zinc/33/72/40/1104337240.db2.gz NODMPYDPJDFFCX-KXBFYZLASA-N 2 2 357.523 4.160 20 0 FIADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441409134 1104337251 /nfs/dbraw/zinc/33/72/51/1104337251.db2.gz NODMPYDPJDFFCX-KXBFYZLASA-N 2 2 357.523 4.160 20 0 FIADLP Cc1oc(-c2ccsc2)nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441409134 1104337262 /nfs/dbraw/zinc/33/72/62/1104337262.db2.gz NODMPYDPJDFFCX-KXBFYZLASA-N 2 2 357.523 4.160 20 0 FIADLP Cc1oc(-c2ccsc2)nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441409134 1104337274 /nfs/dbraw/zinc/33/72/74/1104337274.db2.gz NODMPYDPJDFFCX-KXBFYZLASA-N 2 2 357.523 4.160 20 0 FIADLP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000441405364 1104347066 /nfs/dbraw/zinc/34/70/66/1104347066.db2.gz VKXFBLYMBIKMQA-ICSRJNTNSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1ccc(-c2cnc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000441405364 1104347078 /nfs/dbraw/zinc/34/70/78/1104347078.db2.gz VKXFBLYMBIKMQA-ICSRJNTNSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1ccc(-c2cnc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000441405364 1104347089 /nfs/dbraw/zinc/34/70/89/1104347089.db2.gz VKXFBLYMBIKMQA-ICSRJNTNSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1ccc(-c2cnc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000441405364 1104347091 /nfs/dbraw/zinc/34/70/91/1104347091.db2.gz VKXFBLYMBIKMQA-ICSRJNTNSA-N 2 2 351.494 4.099 20 0 FIADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000520459681 1104760480 /nfs/dbraw/zinc/76/04/80/1104760480.db2.gz CGVCGCATMWWJIF-CVDCTZTESA-N 3 2 366.553 4.064 20 0 FIADLP C[C@@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000134032330 1104980687 /nfs/dbraw/zinc/98/06/87/1104980687.db2.gz IBCHAPFVDCRZRE-ACJLOTCBSA-N 2 2 371.282 4.281 20 0 FIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000237186630 1105002937 /nfs/dbraw/zinc/00/29/37/1105002937.db2.gz PKBAGUVELBVIBF-CYBMUJFWSA-N 2 2 367.971 4.379 20 0 FIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000237186630 1105002943 /nfs/dbraw/zinc/00/29/43/1105002943.db2.gz PKBAGUVELBVIBF-CYBMUJFWSA-N 2 2 367.971 4.379 20 0 FIADLP COc1ccc(OC)c(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168005046 1105063332 /nfs/dbraw/zinc/06/33/32/1105063332.db2.gz FEVKKSJKBWYGBI-RMFSNUHRSA-N 2 2 368.521 4.235 20 0 FIADLP COc1ccc(OC)c(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168005046 1105063342 /nfs/dbraw/zinc/06/33/42/1105063342.db2.gz FEVKKSJKBWYGBI-RMFSNUHRSA-N 2 2 368.521 4.235 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3conc3Cc3ccccc3)C2)CC1 ZINC000507834275 1105241180 /nfs/dbraw/zinc/24/11/80/1105241180.db2.gz SNNYMUWODRCHAI-OAQYLSRUSA-N 2 2 367.537 4.209 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3conc3Cc3ccccc3)C2)CC1 ZINC000507834275 1105241183 /nfs/dbraw/zinc/24/11/83/1105241183.db2.gz SNNYMUWODRCHAI-OAQYLSRUSA-N 2 2 367.537 4.209 20 0 FIADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000508014246 1105296774 /nfs/dbraw/zinc/29/67/74/1105296774.db2.gz QXMHXJOHNZQYNO-UHFFFAOYSA-N 2 2 374.532 4.374 20 0 FIADLP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427857202 1105296994 /nfs/dbraw/zinc/29/69/94/1105296994.db2.gz PUAVWWVRVOQQDG-JSGCOSHPSA-N 2 2 356.470 4.120 20 0 FIADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000427870036 1105304473 /nfs/dbraw/zinc/30/44/73/1105304473.db2.gz URMILUQRFYEKKE-DOTOQJQBSA-N 2 2 351.425 4.480 20 0 FIADLP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CCn4cc[nH+]c4C2)CCC3)cc1 ZINC000427899698 1105308056 /nfs/dbraw/zinc/30/80/56/1105308056.db2.gz XBRWIWSXOFZRPB-IRXDYDNUSA-N 2 2 364.518 4.297 20 0 FIADLP FC(F)Oc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427886880 1105310839 /nfs/dbraw/zinc/31/08/39/1105310839.db2.gz NXOATZZNDOVFKR-YLJYHZDGSA-N 2 2 369.415 4.179 20 0 FIADLP CSc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390696291 1106753265 /nfs/dbraw/zinc/75/32/65/1106753265.db2.gz RPWLRPICABKNOB-RXVVDRJESA-N 2 2 370.562 4.350 20 0 FIADLP CSc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390696291 1106753276 /nfs/dbraw/zinc/75/32/76/1106753276.db2.gz RPWLRPICABKNOB-RXVVDRJESA-N 2 2 370.562 4.350 20 0 FIADLP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655711507 1106842409 /nfs/dbraw/zinc/84/24/09/1106842409.db2.gz KTSNPGSCLLGDKO-AEFFLSMTSA-N 2 2 371.352 4.157 20 0 FIADLP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655711509 1106843067 /nfs/dbraw/zinc/84/30/67/1106843067.db2.gz KTSNPGSCLLGDKO-FUHWJXTLSA-N 2 2 371.352 4.157 20 0 FIADLP Clc1ccc2[nH+]ccc(NCc3ccccc3C[NH+]3CCOCC3)c2c1 ZINC000301262454 1106975286 /nfs/dbraw/zinc/97/52/86/1106975286.db2.gz HFAYBEJOWSSFOR-UHFFFAOYSA-N 2 2 367.880 4.333 20 0 FIADLP CC1CC[NH+](C2CCC(Nc3[nH+]cnc4c3cnn4C(C)(C)C)CC2)CC1 ZINC000301870415 1107192204 /nfs/dbraw/zinc/19/22/04/1107192204.db2.gz CRALWULUBJLOLK-UHFFFAOYSA-N 2 2 370.545 4.036 20 0 FIADLP CCCc1nc(C)c(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000428348677 1107398319 /nfs/dbraw/zinc/39/83/19/1107398319.db2.gz PTAFYSHDHHXRJH-YPGOJHLTSA-N 2 2 355.526 4.182 20 0 FIADLP CCCc1nc(C)c(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000428348677 1107398335 /nfs/dbraw/zinc/39/83/35/1107398335.db2.gz PTAFYSHDHHXRJH-YPGOJHLTSA-N 2 2 355.526 4.182 20 0 FIADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000531685291 1108072019 /nfs/dbraw/zinc/07/20/19/1108072019.db2.gz JMRHVIDFRAEHNG-JOCHJYFZSA-N 2 2 351.469 4.427 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OC(F)F)CC[N@@H+]1C ZINC000531735416 1108104763 /nfs/dbraw/zinc/10/47/63/1108104763.db2.gz BXWZAHFYANIXKP-BXKDBHETSA-N 2 2 353.240 4.167 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OC(F)F)CC[N@H+]1C ZINC000531735416 1108104766 /nfs/dbraw/zinc/10/47/66/1108104766.db2.gz BXWZAHFYANIXKP-BXKDBHETSA-N 2 2 353.240 4.167 20 0 FIADLP Clc1ccc(Br)cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000531754444 1108120636 /nfs/dbraw/zinc/12/06/36/1108120636.db2.gz PLODDBDWNXNPME-UHFFFAOYSA-N 2 2 357.723 4.209 20 0 FIADLP Cn1ccnc1[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000453093725 1108166083 /nfs/dbraw/zinc/16/60/83/1108166083.db2.gz OYQHFHKJMSGTLO-IBGZPJMESA-N 2 2 369.900 4.040 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1)CCC2 ZINC000453113227 1108180778 /nfs/dbraw/zinc/18/07/78/1108180778.db2.gz DYXWIHZNNXHKPL-YSIASYRMSA-N 2 2 373.928 4.102 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(-c2ccccc2)n1C ZINC000453213641 1108282854 /nfs/dbraw/zinc/28/28/54/1108282854.db2.gz IWKVHGZWPJTBGZ-TZIWHRDSSA-N 2 2 374.532 4.260 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc(-c2ccccc2)n1C ZINC000453213641 1108282861 /nfs/dbraw/zinc/28/28/61/1108282861.db2.gz IWKVHGZWPJTBGZ-TZIWHRDSSA-N 2 2 374.532 4.260 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000453222718 1108295563 /nfs/dbraw/zinc/29/55/63/1108295563.db2.gz ANSUHQHMVOZXEN-HVETUWLQSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000453222718 1108295573 /nfs/dbraw/zinc/29/55/73/1108295573.db2.gz ANSUHQHMVOZXEN-HVETUWLQSA-N 2 2 353.485 4.098 20 0 FIADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000453237184 1108311889 /nfs/dbraw/zinc/31/18/89/1108311889.db2.gz OTOTZYFHXADFOB-GOSISDBHSA-N 2 2 371.843 4.451 20 0 FIADLP CC[NH+](CC)[C@@H](CNC1CC[NH+](CC2CC2)CC1)c1ccccc1Cl ZINC000531932673 1108404429 /nfs/dbraw/zinc/40/44/29/1108404429.db2.gz SBSFMHHYSGTEHL-NRFANRHFSA-N 2 2 363.977 4.187 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3ccccc3C)CC2)cc1 ZINC000453318776 1108409997 /nfs/dbraw/zinc/40/99/97/1108409997.db2.gz CDUATQSJODHOMH-SFHVURJKSA-N 2 2 365.521 4.269 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC[C@H]3C(C)C)CC2)cc1 ZINC000453333300 1108423602 /nfs/dbraw/zinc/42/36/02/1108423602.db2.gz VSHFXECJEOQHMP-GOTSBHOMSA-N 2 2 371.569 4.414 20 0 FIADLP C[C@H](c1ccc(Oc2ccccc2)cc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000445310279 1108635674 /nfs/dbraw/zinc/63/56/74/1108635674.db2.gz KVYZIGBJQZRAEE-LJQANCHMSA-N 2 2 368.521 4.319 20 0 FIADLP C[C@H](c1ccc(Oc2ccccc2)cc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000445310279 1108635679 /nfs/dbraw/zinc/63/56/79/1108635679.db2.gz KVYZIGBJQZRAEE-LJQANCHMSA-N 2 2 368.521 4.319 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1)CCC2 ZINC000532243106 1108733764 /nfs/dbraw/zinc/73/37/64/1108733764.db2.gz HNRCBENPJHKOOW-HOCLYGCPSA-N 2 2 374.916 4.038 20 0 FIADLP CCCOc1ccc(Br)cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000508562255 1109183168 /nfs/dbraw/zinc/18/31/68/1109183168.db2.gz DSZGFZQPTAFFQV-OAHLLOKOSA-N 2 2 369.347 4.012 20 0 FIADLP CCCOc1ccc(Br)cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000508562255 1109183171 /nfs/dbraw/zinc/18/31/71/1109183171.db2.gz DSZGFZQPTAFFQV-OAHLLOKOSA-N 2 2 369.347 4.012 20 0 FIADLP CCCOc1ccc(Br)cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000508562255 1109183174 /nfs/dbraw/zinc/18/31/74/1109183174.db2.gz DSZGFZQPTAFFQV-OAHLLOKOSA-N 2 2 369.347 4.012 20 0 FIADLP CCCOc1ccc(Br)cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000508562255 1109183176 /nfs/dbraw/zinc/18/31/76/1109183176.db2.gz DSZGFZQPTAFFQV-OAHLLOKOSA-N 2 2 369.347 4.012 20 0 FIADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(Br)cc1Cl ZINC000446743118 1109325541 /nfs/dbraw/zinc/32/55/41/1109325541.db2.gz TWGJPJSHTQVNNK-IAQYHMDHSA-N 2 2 356.695 4.428 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000447069252 1109434389 /nfs/dbraw/zinc/43/43/89/1109434389.db2.gz OSHQLPMAVYFOHX-UHFFFAOYSA-N 2 2 359.473 4.495 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(-c3c(F)cccc3F)o1)CCC2 ZINC000525695778 1109481917 /nfs/dbraw/zinc/48/19/17/1109481917.db2.gz VDLCQIBPHLQNAP-AWEZNQCLSA-N 2 2 357.404 4.397 20 0 FIADLP C[NH+](C)[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccsc1 ZINC000447546304 1109574993 /nfs/dbraw/zinc/57/49/93/1109574993.db2.gz USWDOJDHIOLLCA-YUMYIRISSA-N 2 2 369.578 4.136 20 0 FIADLP C[NH+](C)[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccsc1 ZINC000447546304 1109574998 /nfs/dbraw/zinc/57/49/98/1109574998.db2.gz USWDOJDHIOLLCA-YUMYIRISSA-N 2 2 369.578 4.136 20 0 FIADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)c(Cl)c1 ZINC000448021945 1109695759 /nfs/dbraw/zinc/69/57/59/1109695759.db2.gz LQKFDJYYTVLQEV-YJBOKZPZSA-N 2 2 365.949 4.076 20 0 FIADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)c(Cl)c1 ZINC000448021945 1109695762 /nfs/dbraw/zinc/69/57/62/1109695762.db2.gz LQKFDJYYTVLQEV-YJBOKZPZSA-N 2 2 365.949 4.076 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448034530 1109701747 /nfs/dbraw/zinc/70/17/47/1109701747.db2.gz JIAGMCABNRREJS-PXNSSMCTSA-N 2 2 359.558 4.237 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448034530 1109701749 /nfs/dbraw/zinc/70/17/49/1109701749.db2.gz JIAGMCABNRREJS-PXNSSMCTSA-N 2 2 359.558 4.237 20 0 FIADLP C[C@@H](C[NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cc(F)cc(F)c1 ZINC000449072798 1109973015 /nfs/dbraw/zinc/97/30/15/1109973015.db2.gz LLGBQRQAXIGEHK-INIZCTEOSA-N 2 2 355.432 4.145 20 0 FIADLP c1cn(Cc2ccc(C[NH2+]C3CCC(OC4CCCC4)CC3)cc2)c[nH+]1 ZINC000449074951 1109973563 /nfs/dbraw/zinc/97/35/63/1109973563.db2.gz LUKFBVPSPUMUTO-UHFFFAOYSA-N 2 2 353.510 4.291 20 0 FIADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CC2 ZINC000449079160 1109974256 /nfs/dbraw/zinc/97/42/56/1109974256.db2.gz XIXYWTLRXYNGMV-QGZVFWFLSA-N 2 2 357.379 4.126 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[C@@H](C)O1 ZINC000449128617 1109981974 /nfs/dbraw/zinc/98/19/74/1109981974.db2.gz STVKQYIRYHQWRE-PNCHPQGNSA-N 2 2 361.489 4.254 20 0 FIADLP c1cc(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)n(C2CCCC2)n1 ZINC000449332287 1110029475 /nfs/dbraw/zinc/02/94/75/1110029475.db2.gz QTDCBVZAFYGMAN-YADHBBJMSA-N 2 2 361.493 4.213 20 0 FIADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCCc4c(F)cccc43)sc2C1 ZINC000449349480 1110037895 /nfs/dbraw/zinc/03/78/95/1110037895.db2.gz JUQICRHUPWOJIG-QGZVFWFLSA-N 2 2 359.514 4.216 20 0 FIADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCCc4c(F)cccc43)sc2C1 ZINC000449349480 1110037900 /nfs/dbraw/zinc/03/79/00/1110037900.db2.gz JUQICRHUPWOJIG-QGZVFWFLSA-N 2 2 359.514 4.216 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000449403824 1110059023 /nfs/dbraw/zinc/05/90/23/1110059023.db2.gz YAIHBBRBBMGHDO-DOTOQJQBSA-N 2 2 363.427 4.243 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)n2)CC[N@H+]1Cc1ccccc1 ZINC000449403824 1110059029 /nfs/dbraw/zinc/05/90/29/1110059029.db2.gz YAIHBBRBBMGHDO-DOTOQJQBSA-N 2 2 363.427 4.243 20 0 FIADLP CC(C)n1ccc(C[C@@H](C)[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)n1 ZINC000449476842 1110084228 /nfs/dbraw/zinc/08/42/28/1110084228.db2.gz NSGQWIVMAJMQKB-LJQANCHMSA-N 2 2 354.542 4.039 20 0 FIADLP CC(C)n1ccc(C[C@@H](C)[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)n1 ZINC000449476842 1110084230 /nfs/dbraw/zinc/08/42/30/1110084230.db2.gz NSGQWIVMAJMQKB-LJQANCHMSA-N 2 2 354.542 4.039 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C)c(C)c3)CC2)cc1 ZINC000449521964 1110098213 /nfs/dbraw/zinc/09/82/13/1110098213.db2.gz JOTNIRZSWOZQCB-UHFFFAOYSA-N 2 2 365.521 4.016 20 0 FIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC2CC(F)(F)C2)cc1 ZINC000450650656 1110324578 /nfs/dbraw/zinc/32/45/78/1110324578.db2.gz NMALICZIKBMTLP-UHFFFAOYSA-N 2 2 363.452 4.219 20 0 FIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC2CC(F)(F)C2)cc1 ZINC000450650656 1110324579 /nfs/dbraw/zinc/32/45/79/1110324579.db2.gz NMALICZIKBMTLP-UHFFFAOYSA-N 2 2 363.452 4.219 20 0 FIADLP c1csc([C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000390527088 1110338328 /nfs/dbraw/zinc/33/83/28/1110338328.db2.gz CTHFBNXLINGKQB-PZJWPPBQSA-N 2 2 356.535 4.080 20 0 FIADLP c1csc([C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000390527088 1110338329 /nfs/dbraw/zinc/33/83/29/1110338329.db2.gz CTHFBNXLINGKQB-PZJWPPBQSA-N 2 2 356.535 4.080 20 0 FIADLP CCc1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC000538733192 1111269042 /nfs/dbraw/zinc/26/90/42/1111269042.db2.gz YIIYXEGRBVHBCM-NRFANRHFSA-N 2 2 355.551 4.194 20 0 FIADLP CCc1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC000538733192 1111269045 /nfs/dbraw/zinc/26/90/45/1111269045.db2.gz YIIYXEGRBVHBCM-NRFANRHFSA-N 2 2 355.551 4.194 20 0 FIADLP CCc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)s1 ZINC000538733192 1111269047 /nfs/dbraw/zinc/26/90/47/1111269047.db2.gz YIIYXEGRBVHBCM-NRFANRHFSA-N 2 2 355.551 4.194 20 0 FIADLP CCc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC000538733192 1111269048 /nfs/dbraw/zinc/26/90/48/1111269048.db2.gz YIIYXEGRBVHBCM-NRFANRHFSA-N 2 2 355.551 4.194 20 0 FIADLP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539065169 1111416243 /nfs/dbraw/zinc/41/62/43/1111416243.db2.gz HLSBZEPAVRNLPE-ZOCZFRKYSA-N 2 2 353.441 4.438 20 0 FIADLP COc1ccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccc(F)cc2)cc1 ZINC000539310611 1111508143 /nfs/dbraw/zinc/50/81/43/1111508143.db2.gz FSAWKTHAZOIBND-HSZRJFAPSA-N 2 2 368.496 4.388 20 0 FIADLP Cc1ccccc1[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC000553094319 1111905140 /nfs/dbraw/zinc/90/51/40/1111905140.db2.gz XEUALDQIZOSWQS-QHCPKHFHSA-N 2 2 352.522 4.314 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC[N@@H+]1C ZINC000479064263 1111939476 /nfs/dbraw/zinc/93/94/76/1111939476.db2.gz QCMNKDYYOCXLHC-JDSLSITLSA-N 2 2 355.295 4.112 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC[N@H+]1C ZINC000479064263 1111939477 /nfs/dbraw/zinc/93/94/77/1111939477.db2.gz QCMNKDYYOCXLHC-JDSLSITLSA-N 2 2 355.295 4.112 20 0 FIADLP COc1ccc(C[N@H+](CCCn2cc[nH+]c2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000553315315 1111946932 /nfs/dbraw/zinc/94/69/32/1111946932.db2.gz YXNYBTJGACIDQT-AZUAARDMSA-N 2 2 371.525 4.371 20 0 FIADLP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000553315315 1111946934 /nfs/dbraw/zinc/94/69/34/1111946934.db2.gz YXNYBTJGACIDQT-AZUAARDMSA-N 2 2 371.525 4.371 20 0 FIADLP CC(C)C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000479365525 1112001423 /nfs/dbraw/zinc/00/14/23/1112001423.db2.gz WHVDIGRKJOTDPQ-KRWDZBQOSA-N 2 2 350.304 4.413 20 0 FIADLP COc1ccc([C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccccc2)cc1 ZINC000479557441 1112071597 /nfs/dbraw/zinc/07/15/97/1112071597.db2.gz XYHUPWAOBMYVAA-BBHUYCHWSA-N 2 2 350.506 4.391 20 0 FIADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(OC(F)F)cc1OC(F)F ZINC000479857039 1112163710 /nfs/dbraw/zinc/16/37/10/1112163710.db2.gz CXXARNQWQKTBNU-LLVKDONJSA-N 2 2 366.399 4.128 20 0 FIADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000480243204 1112341238 /nfs/dbraw/zinc/34/12/38/1112341238.db2.gz DQOFOSJGMRMDOE-HNNXBMFYSA-N 2 2 355.551 4.320 20 0 FIADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cnn(Cc2ccccc2)c1 ZINC000480238765 1112346037 /nfs/dbraw/zinc/34/60/37/1112346037.db2.gz COKJYOMEPUTCKX-FQEVSTJZSA-N 2 2 374.532 4.030 20 0 FIADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cnn(Cc2ccccc2)c1 ZINC000480238765 1112346040 /nfs/dbraw/zinc/34/60/40/1112346040.db2.gz COKJYOMEPUTCKX-FQEVSTJZSA-N 2 2 374.532 4.030 20 0 FIADLP COc1cc(F)c([C@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)cc1OC ZINC000480253443 1112351589 /nfs/dbraw/zinc/35/15/89/1112351589.db2.gz GVLZVYFTOOBDOM-HNNXBMFYSA-N 2 2 352.494 4.148 20 0 FIADLP COc1cc(F)c([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1OC ZINC000480253443 1112351591 /nfs/dbraw/zinc/35/15/91/1112351591.db2.gz GVLZVYFTOOBDOM-HNNXBMFYSA-N 2 2 352.494 4.148 20 0 FIADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)CCCC(F)(F)F)CC2)c1 ZINC000480335547 1112387061 /nfs/dbraw/zinc/38/70/61/1112387061.db2.gz OAUBLOSDUBVOGK-GOSISDBHSA-N 2 2 371.491 4.218 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)[C@H](C)C1 ZINC000667666322 1112398727 /nfs/dbraw/zinc/39/87/27/1112398727.db2.gz JHKCFIRQPKPMQT-OXQOHEQNSA-N 2 2 357.473 4.175 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)[C@H](C)C1 ZINC000667666322 1112398731 /nfs/dbraw/zinc/39/87/31/1112398731.db2.gz JHKCFIRQPKPMQT-OXQOHEQNSA-N 2 2 357.473 4.175 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)[C@H](C)C1 ZINC000667666322 1112398735 /nfs/dbraw/zinc/39/87/35/1112398735.db2.gz JHKCFIRQPKPMQT-OXQOHEQNSA-N 2 2 357.473 4.175 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)[C@H](C)C1 ZINC000667666322 1112398739 /nfs/dbraw/zinc/39/87/39/1112398739.db2.gz JHKCFIRQPKPMQT-OXQOHEQNSA-N 2 2 357.473 4.175 20 0 FIADLP COc1cccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc2)c1 ZINC001168362938 1112427086 /nfs/dbraw/zinc/42/70/86/1112427086.db2.gz NJHMKRXKELJTHJ-HSZRJFAPSA-N 2 2 350.506 4.249 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CCS2 ZINC000480609037 1112499746 /nfs/dbraw/zinc/49/97/46/1112499746.db2.gz CSRHZPUXWZBFBU-OWCLPIDISA-N 2 2 367.356 4.202 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CCS2 ZINC000480609037 1112499749 /nfs/dbraw/zinc/49/97/49/1112499749.db2.gz CSRHZPUXWZBFBU-OWCLPIDISA-N 2 2 367.356 4.202 20 0 FIADLP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)Cn2cc[nH+]c2)CCC3)cc1 ZINC000480747742 1112584731 /nfs/dbraw/zinc/58/47/31/1112584731.db2.gz FMDJVIFRNWMRDY-NVXWUHKLSA-N 2 2 352.507 4.371 20 0 FIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1nc(-c2ccccc2)cs1 ZINC000480774926 1112599160 /nfs/dbraw/zinc/59/91/60/1112599160.db2.gz OCVZIYIZZYCTIA-HNNXBMFYSA-N 2 2 352.507 4.236 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c(F)c1 ZINC000481331522 1112902968 /nfs/dbraw/zinc/90/29/68/1112902968.db2.gz GZRREROUSPBWAS-KRWDZBQOSA-N 2 2 356.485 4.458 20 0 FIADLP c1onc(Cc2ccccc2)c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000555552542 1112921165 /nfs/dbraw/zinc/92/11/65/1112921165.db2.gz CSSQABMQTXWTAM-UHFFFAOYSA-N 2 2 353.510 4.152 20 0 FIADLP CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccco1 ZINC000481956598 1113141003 /nfs/dbraw/zinc/14/10/03/1113141003.db2.gz DFBUDHJXZURAEP-XLIONFOSSA-N 2 2 352.482 4.199 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccncc3)ccc2OC)C[C@H]1C ZINC000481991671 1113146593 /nfs/dbraw/zinc/14/65/93/1113146593.db2.gz OXUFWQHEUTXVNN-UTKZUKDTSA-N 2 2 353.510 4.062 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccncc3)ccc2OC)C[C@H]1C ZINC000481991671 1113146594 /nfs/dbraw/zinc/14/65/94/1113146594.db2.gz OXUFWQHEUTXVNN-UTKZUKDTSA-N 2 2 353.510 4.062 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccncc3)ccc2OC)C[C@H]1C ZINC000481991671 1113146596 /nfs/dbraw/zinc/14/65/96/1113146596.db2.gz OXUFWQHEUTXVNN-UTKZUKDTSA-N 2 2 353.510 4.062 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccncc3)ccc2OC)C[C@H]1C ZINC000481991671 1113146598 /nfs/dbraw/zinc/14/65/98/1113146598.db2.gz OXUFWQHEUTXVNN-UTKZUKDTSA-N 2 2 353.510 4.062 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccncc3)ccc2OC)C[C@H]1C ZINC000481991669 1113146654 /nfs/dbraw/zinc/14/66/54/1113146654.db2.gz OXUFWQHEUTXVNN-DYESRHJHSA-N 2 2 353.510 4.062 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccncc3)ccc2OC)C[C@H]1C ZINC000481991669 1113146656 /nfs/dbraw/zinc/14/66/56/1113146656.db2.gz OXUFWQHEUTXVNN-DYESRHJHSA-N 2 2 353.510 4.062 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccncc3)ccc2OC)C[C@H]1C ZINC000481991669 1113146657 /nfs/dbraw/zinc/14/66/57/1113146657.db2.gz OXUFWQHEUTXVNN-DYESRHJHSA-N 2 2 353.510 4.062 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccncc3)ccc2OC)C[C@H]1C ZINC000481991669 1113146659 /nfs/dbraw/zinc/14/66/59/1113146659.db2.gz OXUFWQHEUTXVNN-DYESRHJHSA-N 2 2 353.510 4.062 20 0 FIADLP COC(=O)c1ccc(Cl)c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000482214769 1113200890 /nfs/dbraw/zinc/20/08/90/1113200890.db2.gz ABJSFUPMMMFNAF-UHFFFAOYSA-N 2 2 364.917 4.013 20 0 FIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cc1OC(F)F ZINC000162914033 1113244801 /nfs/dbraw/zinc/24/48/01/1113244801.db2.gz FCLKNIFRUKEKEY-ZDUSSCGKSA-N 2 2 353.388 4.365 20 0 FIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)COC2)c1ccccc1 ZINC000482452711 1113264197 /nfs/dbraw/zinc/26/41/97/1113264197.db2.gz UHBSIZSCPYXXCA-JPYJTQIMSA-N 2 2 368.521 4.077 20 0 FIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)COC2)c1ccccc1 ZINC000482452711 1113264198 /nfs/dbraw/zinc/26/41/98/1113264198.db2.gz UHBSIZSCPYXXCA-JPYJTQIMSA-N 2 2 368.521 4.077 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)c2ccccc12 ZINC000482647680 1113319487 /nfs/dbraw/zinc/31/94/87/1113319487.db2.gz PLLWDAYLYGPINN-QGZVFWFLSA-N 2 2 370.537 4.388 20 0 FIADLP COc1ccc2oc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cc2c1 ZINC000482721636 1113342881 /nfs/dbraw/zinc/34/28/81/1113342881.db2.gz GQXBCVMODXHZEW-HTAPYJJXSA-N 2 2 364.489 4.442 20 0 FIADLP COc1ccc2oc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cc2c1 ZINC000482721636 1113342884 /nfs/dbraw/zinc/34/28/84/1113342884.db2.gz GQXBCVMODXHZEW-HTAPYJJXSA-N 2 2 364.489 4.442 20 0 FIADLP Cc1ccc([C@H](Cc2ccccc2)[NH2+]CC2([NH+](C)C)CCOCC2)cc1C ZINC000482941812 1113404381 /nfs/dbraw/zinc/40/43/81/1113404381.db2.gz CAVAPSBTDUCTQW-QHCPKHFHSA-N 2 2 366.549 4.288 20 0 FIADLP COc1cc(F)c([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC000483143456 1113452722 /nfs/dbraw/zinc/45/27/22/1113452722.db2.gz XJMXANXDWMPIBN-HNNXBMFYSA-N 2 2 364.505 4.291 20 0 FIADLP CCN(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000483266516 1113476603 /nfs/dbraw/zinc/47/66/03/1113476603.db2.gz ASBNESYZLLLVKZ-DENIHFKCSA-N 2 2 366.553 4.023 20 0 FIADLP CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000483266516 1113476607 /nfs/dbraw/zinc/47/66/07/1113476607.db2.gz ASBNESYZLLLVKZ-DENIHFKCSA-N 2 2 366.553 4.023 20 0 FIADLP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000483266516 1113476609 /nfs/dbraw/zinc/47/66/09/1113476609.db2.gz ASBNESYZLLLVKZ-DENIHFKCSA-N 2 2 366.553 4.023 20 0 FIADLP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000483266516 1113476612 /nfs/dbraw/zinc/47/66/12/1113476612.db2.gz ASBNESYZLLLVKZ-DENIHFKCSA-N 2 2 366.553 4.023 20 0 FIADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CC3 ZINC000486514375 1113585351 /nfs/dbraw/zinc/58/53/51/1113585351.db2.gz DNEXTBKEXYQOJK-GOSISDBHSA-N 2 2 356.473 4.309 20 0 FIADLP Brc1ccccc1[C@@H]1CCC[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168374352 1113874958 /nfs/dbraw/zinc/87/49/58/1113874958.db2.gz ZQVPBOHWEVDAOW-IBGZPJMESA-N 2 2 363.343 4.460 20 0 FIADLP Brc1ccccc1[C@@H]1CCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168374352 1113874961 /nfs/dbraw/zinc/87/49/61/1113874961.db2.gz ZQVPBOHWEVDAOW-IBGZPJMESA-N 2 2 363.343 4.460 20 0 FIADLP C[N@H+](Cc1cc2ccc(F)cc2[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000488346939 1113912821 /nfs/dbraw/zinc/91/28/21/1113912821.db2.gz HIEHBBQUZXNXFG-UHFFFAOYSA-N 2 2 351.469 4.403 20 0 FIADLP C[N@@H+](Cc1cc2ccc(F)cc2[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000488346939 1113912824 /nfs/dbraw/zinc/91/28/24/1113912824.db2.gz HIEHBBQUZXNXFG-UHFFFAOYSA-N 2 2 351.469 4.403 20 0 FIADLP c1c(CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)[nH+]c2n1CCCC2 ZINC000489578200 1114135055 /nfs/dbraw/zinc/13/50/55/1114135055.db2.gz DWEHAOWWSNIQKP-NRFANRHFSA-N 2 2 365.521 4.144 20 0 FIADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000489568678 1114138012 /nfs/dbraw/zinc/13/80/12/1114138012.db2.gz SOFKFIGCSWFLMR-UHFFFAOYSA-N 3 2 374.532 4.216 20 0 FIADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000489568678 1114138018 /nfs/dbraw/zinc/13/80/18/1114138018.db2.gz SOFKFIGCSWFLMR-UHFFFAOYSA-N 3 2 374.532 4.216 20 0 FIADLP COCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000490110760 1114216005 /nfs/dbraw/zinc/21/60/05/1114216005.db2.gz DRVNOHMMCQZNGH-HSZRJFAPSA-N 2 2 352.522 4.093 20 0 FIADLP C[NH+]1CCC([N@H+](Cc2cc(-n3ccnc3)cs2)Cc2ccccc2)CC1 ZINC000571687133 1114491557 /nfs/dbraw/zinc/49/15/57/1114491557.db2.gz OKYWWKLRAZITJK-UHFFFAOYSA-N 2 2 366.534 4.030 20 0 FIADLP C[NH+]1CCC([N@@H+](Cc2cc(-n3ccnc3)cs2)Cc2ccccc2)CC1 ZINC000571687133 1114491560 /nfs/dbraw/zinc/49/15/60/1114491560.db2.gz OKYWWKLRAZITJK-UHFFFAOYSA-N 2 2 366.534 4.030 20 0 FIADLP CC[N@H+](Cc1nc(-c2cccc(C)c2)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999670 1114873330 /nfs/dbraw/zinc/87/33/30/1114873330.db2.gz ROQCVKJMMLFOQZ-UHFFFAOYSA-N 2 2 364.493 4.129 20 0 FIADLP CC[N@@H+](Cc1nc(-c2cccc(C)c2)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999670 1114873332 /nfs/dbraw/zinc/87/33/32/1114873332.db2.gz ROQCVKJMMLFOQZ-UHFFFAOYSA-N 2 2 364.493 4.129 20 0 FIADLP c1csc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000590881948 1114990186 /nfs/dbraw/zinc/99/01/86/1114990186.db2.gz FEWLWIVLXNOQDI-UHFFFAOYSA-N 2 2 360.486 4.345 20 0 FIADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000573018428 1115000565 /nfs/dbraw/zinc/00/05/65/1115000565.db2.gz NUSKWUXVEQLUNS-NJELEJDNSA-N 2 2 357.448 4.390 20 0 FIADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000573018428 1115000568 /nfs/dbraw/zinc/00/05/68/1115000568.db2.gz NUSKWUXVEQLUNS-NJELEJDNSA-N 2 2 357.448 4.390 20 0 FIADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591083082 1115018532 /nfs/dbraw/zinc/01/85/32/1115018532.db2.gz NSXBUKNYSFHESK-FCHUYYIVSA-N 2 2 374.488 4.208 20 0 FIADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591083082 1115018536 /nfs/dbraw/zinc/01/85/36/1115018536.db2.gz NSXBUKNYSFHESK-FCHUYYIVSA-N 2 2 374.488 4.208 20 0 FIADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)c2nnc(C)s2)ccc1OC ZINC000760880996 1115120938 /nfs/dbraw/zinc/12/09/38/1115120938.db2.gz KZONWDGOVPHTTD-UONOGXRCSA-N 2 2 362.543 4.109 20 0 FIADLP COc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1F ZINC000669683764 1115785752 /nfs/dbraw/zinc/78/57/52/1115785752.db2.gz VOTSMKQELYOSKA-LJQANCHMSA-N 2 2 353.441 4.179 20 0 FIADLP COc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1F ZINC000669683763 1115785801 /nfs/dbraw/zinc/78/58/01/1115785801.db2.gz VOTSMKQELYOSKA-IBGZPJMESA-N 2 2 353.441 4.179 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)c1ccccc1 ZINC000669700358 1115818964 /nfs/dbraw/zinc/81/89/64/1115818964.db2.gz WWUVATYVBIEGBZ-HJNYFJLDSA-N 2 2 360.505 4.415 20 0 FIADLP CC[NH+](CC)[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccsc1 ZINC000599497145 1115819642 /nfs/dbraw/zinc/81/96/42/1115819642.db2.gz GDZIJHFCMKHWRE-KRWDZBQOSA-N 2 2 359.543 4.023 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1ccccc1 ZINC000608071713 1116080833 /nfs/dbraw/zinc/08/08/33/1116080833.db2.gz JJWRKWDSCJRMBT-KRWDZBQOSA-N 2 2 354.523 4.248 20 0 FIADLP C[C@@H](CCc1ccc(F)cc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539687770 1116364947 /nfs/dbraw/zinc/36/49/47/1116364947.db2.gz DKISHOQNBMNFRB-KRWDZBQOSA-N 2 2 370.516 4.184 20 0 FIADLP CC(C)n1cc([C@H](C)[NH2+]CC[C@@H](C)[NH2+][C@@H](C)c2cnn(C(C)C)c2)cn1 ZINC000544469915 1116368212 /nfs/dbraw/zinc/36/82/12/1116368212.db2.gz YKNMTTFEOWDPIF-SQNIBIBYSA-N 2 2 360.550 4.021 20 0 FIADLP CSc1cccc([C@H]([NH2+]CCn2cc[nH+]c2)c2ccc(F)c(F)c2)c1 ZINC000491281439 1116371244 /nfs/dbraw/zinc/37/12/44/1116371244.db2.gz AXAIKQMPMALFGA-IBGZPJMESA-N 2 2 359.445 4.262 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)C)[C@H](C)C1 ZINC000539817814 1116384894 /nfs/dbraw/zinc/38/48/94/1116384894.db2.gz COIWNRNIDFXPHP-NQIIRXRSSA-N 2 2 354.542 4.158 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)C)[C@H](C)C1 ZINC000539817814 1116384896 /nfs/dbraw/zinc/38/48/96/1116384896.db2.gz COIWNRNIDFXPHP-NQIIRXRSSA-N 2 2 354.542 4.158 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)[C@H](C)C1 ZINC000539817814 1116384898 /nfs/dbraw/zinc/38/48/98/1116384898.db2.gz COIWNRNIDFXPHP-NQIIRXRSSA-N 2 2 354.542 4.158 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)[C@H](C)C1 ZINC000539817814 1116384900 /nfs/dbraw/zinc/38/49/00/1116384900.db2.gz COIWNRNIDFXPHP-NQIIRXRSSA-N 2 2 354.542 4.158 20 0 FIADLP Cc1ccc2ncc(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)n2c1 ZINC000539832780 1116388294 /nfs/dbraw/zinc/38/82/94/1116388294.db2.gz ZKWLSZHBAPDPDY-TZIWHRDSSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1ccc2ncc(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)n2c1 ZINC000539832780 1116388296 /nfs/dbraw/zinc/38/82/96/1116388296.db2.gz ZKWLSZHBAPDPDY-TZIWHRDSSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1ccc2ncc(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)n2c1 ZINC000539832780 1116388298 /nfs/dbraw/zinc/38/82/98/1116388298.db2.gz ZKWLSZHBAPDPDY-TZIWHRDSSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1ccc2ncc(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)n2c1 ZINC000539832780 1116388300 /nfs/dbraw/zinc/38/83/00/1116388300.db2.gz ZKWLSZHBAPDPDY-TZIWHRDSSA-N 2 2 362.521 4.128 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000539852083 1116393153 /nfs/dbraw/zinc/39/31/53/1116393153.db2.gz LVOUYGCTNPNCEF-CVEARBPZSA-N 2 2 353.348 4.216 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000539852083 1116393155 /nfs/dbraw/zinc/39/31/55/1116393155.db2.gz LVOUYGCTNPNCEF-CVEARBPZSA-N 2 2 353.348 4.216 20 0 FIADLP COc1ccc(F)cc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000462783170 1117765191 /nfs/dbraw/zinc/76/51/91/1117765191.db2.gz JVUJAMRTFAWBPV-HXUWFJFHSA-N 2 2 353.441 4.179 20 0 FIADLP Cc1cc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1Cl ZINC000462811040 1117780625 /nfs/dbraw/zinc/78/06/25/1117780625.db2.gz FAYFILKQTRHDDJ-UTKZUKDTSA-N 2 2 357.929 4.086 20 0 FIADLP Cc1cc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1Cl ZINC000462811040 1117780627 /nfs/dbraw/zinc/78/06/27/1117780627.db2.gz FAYFILKQTRHDDJ-UTKZUKDTSA-N 2 2 357.929 4.086 20 0 FIADLP COCCCCc1ccc[nH+]c1N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462830848 1117801661 /nfs/dbraw/zinc/80/16/61/1117801661.db2.gz AYYHTYVUNJKWMP-DENIHFKCSA-N 2 2 367.537 4.373 20 0 FIADLP COCCCCc1ccc[nH+]c1N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462830848 1117801670 /nfs/dbraw/zinc/80/16/70/1117801670.db2.gz AYYHTYVUNJKWMP-DENIHFKCSA-N 2 2 367.537 4.373 20 0 FIADLP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000462891069 1117830482 /nfs/dbraw/zinc/83/04/82/1117830482.db2.gz DLYVBUJLDLSFJD-QWHCGFSZSA-N 2 2 353.388 4.336 20 0 FIADLP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000462891069 1117830487 /nfs/dbraw/zinc/83/04/87/1117830487.db2.gz DLYVBUJLDLSFJD-QWHCGFSZSA-N 2 2 353.388 4.336 20 0 FIADLP Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000462891068 1117830920 /nfs/dbraw/zinc/83/09/20/1117830920.db2.gz DLYVBUJLDLSFJD-OLZOCXBDSA-N 2 2 353.388 4.336 20 0 FIADLP Cc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000462891068 1117830928 /nfs/dbraw/zinc/83/09/28/1117830928.db2.gz DLYVBUJLDLSFJD-OLZOCXBDSA-N 2 2 353.388 4.336 20 0 FIADLP COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540141518 1117893471 /nfs/dbraw/zinc/89/34/71/1117893471.db2.gz FJEUPLPGSUKTBH-QZTJIDSGSA-N 2 2 365.477 4.247 20 0 FIADLP c1ccc(-c2ccccc2OCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000540189595 1117920802 /nfs/dbraw/zinc/92/08/02/1117920802.db2.gz URRVMJGCFALSHF-UHFFFAOYSA-N 2 2 373.500 4.386 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2ccccc2C(F)(F)F)CC1 ZINC000463083105 1117964701 /nfs/dbraw/zinc/96/47/01/1117964701.db2.gz KODAJQGWZLQHEH-UHFFFAOYSA-N 2 2 368.365 4.254 20 0 FIADLP CC(C)[C@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[NH+]1CCCC1 ZINC000463130705 1117977217 /nfs/dbraw/zinc/97/72/17/1117977217.db2.gz HNWPLWNJNNUGRI-NRFANRHFSA-N 2 2 363.977 4.014 20 0 FIADLP CC(C)[C@@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)[NH+]1CCCC1 ZINC000463132154 1117983501 /nfs/dbraw/zinc/98/35/01/1117983501.db2.gz NKJOOIZFMZZHSV-OAQYLSRUSA-N 2 2 363.977 4.014 20 0 FIADLP CSc1cc(Br)ccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506354266 1118009259 /nfs/dbraw/zinc/00/92/59/1118009259.db2.gz CHXQSJRBTRFKRW-UHFFFAOYSA-N 2 2 371.388 4.476 20 0 FIADLP CSc1cc(Br)ccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506354266 1118009265 /nfs/dbraw/zinc/00/92/65/1118009265.db2.gz CHXQSJRBTRFKRW-UHFFFAOYSA-N 2 2 371.388 4.476 20 0 FIADLP FC(F)(F)c1cncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000463215447 1118028314 /nfs/dbraw/zinc/02/83/14/1118028314.db2.gz PMQMEBYSXHMRAE-UHFFFAOYSA-N 2 2 364.415 4.013 20 0 FIADLP Cc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463277009 1118065395 /nfs/dbraw/zinc/06/53/95/1118065395.db2.gz KSHSYBNSPJFWAN-JOCHJYFZSA-N 2 2 368.496 4.254 20 0 FIADLP CCC[NH+](CCC)CCC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000540460145 1118065680 /nfs/dbraw/zinc/06/56/80/1118065680.db2.gz BPEFDXGGZISTLM-OAQYLSRUSA-N 3 2 373.585 4.076 20 0 FIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000540549685 1118121882 /nfs/dbraw/zinc/12/18/82/1118121882.db2.gz SSBACBUEFNYENN-HNNXBMFYSA-N 2 2 373.859 4.433 20 0 FIADLP CSc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1F ZINC000540756725 1118225014 /nfs/dbraw/zinc/22/50/14/1118225014.db2.gz MKKREMMNOAHOJC-RHSMWYFYSA-N 2 2 374.529 4.256 20 0 FIADLP Cc1ccc2c(c1)[C@@H](Nc1ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]1)CCC2 ZINC000540758673 1118226095 /nfs/dbraw/zinc/22/60/95/1118226095.db2.gz VWTYUANNKSARSC-FPOVZHCZSA-N 2 2 350.510 4.020 20 0 FIADLP Cc1ccc(C)c([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000540787835 1118247575 /nfs/dbraw/zinc/24/75/75/1118247575.db2.gz NNDKSKPAPGMEFE-GOSISDBHSA-N 2 2 352.526 4.402 20 0 FIADLP CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(F)cc1F ZINC000540788164 1118247694 /nfs/dbraw/zinc/24/76/94/1118247694.db2.gz ZOAIAWFLUOEMAV-HXUWFJFHSA-N 2 2 374.479 4.453 20 0 FIADLP Cc1ccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1C ZINC000540790782 1118248965 /nfs/dbraw/zinc/24/89/65/1118248965.db2.gz SUVAYPIVDWOZBT-GOSISDBHSA-N 2 2 352.526 4.402 20 0 FIADLP CSC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1 ZINC000540990662 1118340922 /nfs/dbraw/zinc/34/09/22/1118340922.db2.gz SPLVIBPDHWOCNW-ULQDDVLXSA-N 2 2 358.473 4.326 20 0 FIADLP CSC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1 ZINC000540990662 1118340926 /nfs/dbraw/zinc/34/09/26/1118340926.db2.gz SPLVIBPDHWOCNW-ULQDDVLXSA-N 2 2 358.473 4.326 20 0 FIADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1C ZINC000541202325 1118422294 /nfs/dbraw/zinc/42/22/94/1118422294.db2.gz GRCUEIDDQMYJKR-IBGZPJMESA-N 2 2 368.525 4.019 20 0 FIADLP Brc1ccsc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541203196 1118422507 /nfs/dbraw/zinc/42/25/07/1118422507.db2.gz WCXVHRRTYGYAET-UHFFFAOYSA-N 2 2 368.344 4.400 20 0 FIADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000541373160 1118492169 /nfs/dbraw/zinc/49/21/69/1118492169.db2.gz IERNSNAMNYPCHY-UHFFFAOYSA-N 3 2 354.523 4.064 20 0 FIADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000541373160 1118492172 /nfs/dbraw/zinc/49/21/72/1118492172.db2.gz IERNSNAMNYPCHY-UHFFFAOYSA-N 3 2 354.523 4.064 20 0 FIADLP Cc1cc([C@@H]([NH2+]CCCNc2cccc[nH+]2)c2cccnc2)ccc1F ZINC000541541565 1118547692 /nfs/dbraw/zinc/54/76/92/1118547692.db2.gz QULHZLDPCPXYOX-OAQYLSRUSA-N 2 2 350.441 4.105 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCCO1 ZINC000541541768 1118548349 /nfs/dbraw/zinc/54/83/49/1118548349.db2.gz HKOCZIZMTDQTOZ-JPYJTQIMSA-N 2 2 361.489 4.256 20 0 FIADLP Cc1cc([C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)c2cccnc2)ccc1F ZINC000541548480 1118551835 /nfs/dbraw/zinc/55/18/35/1118551835.db2.gz LHHQQJWARHUCQE-VGSWGCGISA-N 2 2 355.501 4.330 20 0 FIADLP Fc1ccc([C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2cccnc2)cc1 ZINC000541550733 1118559978 /nfs/dbraw/zinc/55/99/78/1118559978.db2.gz HPOVUEMXTRNJFK-QHCPKHFHSA-N 2 2 372.447 4.345 20 0 FIADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1nc(-c2ccncc2)cs1 ZINC000541555911 1118561709 /nfs/dbraw/zinc/56/17/09/1118561709.db2.gz PMGVWJGYJPKJDK-ZDUSSCGKSA-N 2 2 367.503 4.303 20 0 FIADLP CC(C)[NH+](Cc1ccco1)CC1(C[N@@H+](Cc2ccco2)C(C)C)COC1 ZINC000541994913 1118741028 /nfs/dbraw/zinc/74/10/28/1118741028.db2.gz KSGYYXYDPXVURF-UHFFFAOYSA-N 2 2 360.498 4.010 20 0 FIADLP CC(C)[NH+](Cc1ccco1)CC1(C[N@H+](Cc2ccco2)C(C)C)COC1 ZINC000541994913 1118741034 /nfs/dbraw/zinc/74/10/34/1118741034.db2.gz KSGYYXYDPXVURF-UHFFFAOYSA-N 2 2 360.498 4.010 20 0 FIADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ncc(Br)s2)c1 ZINC000542137939 1118802933 /nfs/dbraw/zinc/80/29/33/1118802933.db2.gz KVYMOVLLZFYIGV-UHFFFAOYSA-N 2 2 368.344 4.036 20 0 FIADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ncc(Br)s2)c1 ZINC000542137939 1118802941 /nfs/dbraw/zinc/80/29/41/1118802941.db2.gz KVYMOVLLZFYIGV-UHFFFAOYSA-N 2 2 368.344 4.036 20 0 FIADLP Fc1cc2cccnc2c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000542131782 1118808964 /nfs/dbraw/zinc/80/89/64/1118808964.db2.gz VDZKZWKPAPMHHS-UHFFFAOYSA-N 2 2 352.457 4.263 20 0 FIADLP COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000151694359 1118960425 /nfs/dbraw/zinc/96/04/25/1118960425.db2.gz WPHRPEZHLNMVIP-IRXDYDNUSA-N 2 2 365.477 4.171 20 0 FIADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(Cl)c1 ZINC000173331599 1119034249 /nfs/dbraw/zinc/03/42/49/1119034249.db2.gz BAEAYJIMRJOSJS-NRFANRHFSA-N 2 2 358.913 4.413 20 0 FIADLP CC1(C)C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc21 ZINC000178206880 1119377735 /nfs/dbraw/zinc/37/77/35/1119377735.db2.gz CUGYMPGWJNYORP-JOCHJYFZSA-N 2 2 350.506 4.031 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccnn1-c1ccccc1 ZINC000467306730 1119378302 /nfs/dbraw/zinc/37/83/02/1119378302.db2.gz PZNIKKNUJXZUNL-LJQANCHMSA-N 2 2 360.505 4.188 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(Br)ccc1F ZINC000178256089 1119380515 /nfs/dbraw/zinc/38/05/15/1119380515.db2.gz FMYMUKAZCKKYPJ-GFCCVEGCSA-N 2 2 355.295 4.113 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccnn1-c1ccccc1 ZINC000467316090 1119425256 /nfs/dbraw/zinc/42/52/56/1119425256.db2.gz VJVGBHSLMAYPKE-HXUWFJFHSA-N 2 2 374.532 4.230 20 0 FIADLP Cc1ccc2c(c1)nc(C[NH2+]C1CC[NH+]([C@@H]3CCC[C@H](C)C3)CC1)n2C ZINC000187591422 1119790977 /nfs/dbraw/zinc/79/09/77/1119790977.db2.gz CXRRWQUDABYMIX-QFBILLFUSA-N 2 2 354.542 4.014 20 0 FIADLP Brc1ccc(-c2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)o2)cc1 ZINC000494425118 1119856297 /nfs/dbraw/zinc/85/62/97/1119856297.db2.gz KAJNRBHOBMLTNY-OAHLLOKOSA-N 2 2 372.266 4.010 20 0 FIADLP CCC[NH+]1CCC([NH2+][C@H]2CSc3ccc(Br)cc32)CC1 ZINC000494462596 1119867895 /nfs/dbraw/zinc/86/78/95/1119867895.db2.gz BOOLWKXCZMFXLJ-HNNXBMFYSA-N 2 2 355.345 4.060 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000191888694 1120000233 /nfs/dbraw/zinc/00/02/33/1120000233.db2.gz XAKWNWFYPBALTC-UHFFFAOYSA-N 2 2 359.473 4.276 20 0 FIADLP C[C@@H]([NH2+]Cc1sccc1Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000193087524 1120098693 /nfs/dbraw/zinc/09/86/93/1120098693.db2.gz GFURQJOEHKUZGA-CYBMUJFWSA-N 2 2 367.921 4.143 20 0 FIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H](c3ccco3)c3ccccc3)[nH+]c2)C1 ZINC000542501391 1120231376 /nfs/dbraw/zinc/23/13/76/1120231376.db2.gz WVXFRXWOCRPPQN-SIKLNZKXSA-N 2 2 362.477 4.016 20 0 FIADLP COCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C)o1 ZINC000495386637 1120765749 /nfs/dbraw/zinc/76/57/49/1120765749.db2.gz XKYNKSPWYRVPEI-UIFIKXQLSA-N 2 2 356.510 4.308 20 0 FIADLP COCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C)o1 ZINC000495386637 1120765751 /nfs/dbraw/zinc/76/57/51/1120765751.db2.gz XKYNKSPWYRVPEI-UIFIKXQLSA-N 2 2 356.510 4.308 20 0 FIADLP Fc1ccc(NC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000237871721 1120985407 /nfs/dbraw/zinc/98/54/07/1120985407.db2.gz YEJYGIIWIDRNSD-UHFFFAOYSA-N 2 2 350.441 4.088 20 0 FIADLP c1cn(-c2ccccc2-c2noc([C@@H]3CC[C@@H](c4ccccc4)[NH2+]C3)n2)c[nH+]1 ZINC001212207964 1120987077 /nfs/dbraw/zinc/98/70/77/1120987077.db2.gz NLVJVEQVCSCDIT-MJGOQNOKSA-N 2 2 371.444 4.131 20 0 FIADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC001168496899 1121002947 /nfs/dbraw/zinc/00/29/47/1121002947.db2.gz KCMCOSVUVWCFGQ-OFNKIYASSA-N 2 2 370.512 4.140 20 0 FIADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC001168496899 1121002954 /nfs/dbraw/zinc/00/29/54/1121002954.db2.gz KCMCOSVUVWCFGQ-OFNKIYASSA-N 2 2 370.512 4.140 20 0 FIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc2c(c1)CCO2 ZINC000153646394 1121004573 /nfs/dbraw/zinc/00/45/73/1121004573.db2.gz ZXRXCDHTWITJAF-LJQANCHMSA-N 2 2 351.425 4.187 20 0 FIADLP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001168499644 1121073373 /nfs/dbraw/zinc/07/33/73/1121073373.db2.gz ZXGAVTTZGVASJP-SFHVURJKSA-N 2 2 352.497 4.279 20 0 FIADLP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001168499644 1121073383 /nfs/dbraw/zinc/07/33/83/1121073383.db2.gz ZXGAVTTZGVASJP-SFHVURJKSA-N 2 2 352.497 4.279 20 0 FIADLP CCn1nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c2ccccc21 ZINC000397976429 1121329361 /nfs/dbraw/zinc/32/93/61/1121329361.db2.gz KRCYHZZZQAQQDU-WIYYLYMNSA-N 2 2 362.521 4.056 20 0 FIADLP CCn1nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c2ccccc21 ZINC000397976429 1121329373 /nfs/dbraw/zinc/32/93/73/1121329373.db2.gz KRCYHZZZQAQQDU-WIYYLYMNSA-N 2 2 362.521 4.056 20 0 FIADLP Fc1ccc(Oc2ccc(C[NH2+]CCCCNc3cccc[nH+]3)cn2)cc1 ZINC001649083546 1121651974 /nfs/dbraw/zinc/65/19/74/1121651974.db2.gz FWBKKRCBXHOCBO-UHFFFAOYSA-N 2 2 366.440 4.390 20 0 FIADLP CCc1ccc(-c2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)o2)cc1 ZINC000072922875 1121909945 /nfs/dbraw/zinc/90/99/45/1121909945.db2.gz JZIGQDGSEPHNLM-LJQANCHMSA-N 2 2 368.521 4.100 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccccc1F ZINC000126660122 1121973529 /nfs/dbraw/zinc/97/35/29/1121973529.db2.gz MUPXJENSDCQCME-CVEARBPZSA-N 2 2 359.464 4.128 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccc(F)cc2)s1 ZINC000765791501 1121996041 /nfs/dbraw/zinc/99/60/41/1121996041.db2.gz LJYDVMAJGOCGHQ-QGTPRVQTSA-N 2 2 360.498 4.068 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccc(F)cc2)s1 ZINC000765791501 1121996043 /nfs/dbraw/zinc/99/60/43/1121996043.db2.gz LJYDVMAJGOCGHQ-QGTPRVQTSA-N 2 2 360.498 4.068 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000556217763 1122735972 /nfs/dbraw/zinc/73/59/72/1122735972.db2.gz OILOOCJVAPQIRZ-OXQOHEQNSA-N 2 2 359.464 4.194 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000556217763 1122735975 /nfs/dbraw/zinc/73/59/75/1122735975.db2.gz OILOOCJVAPQIRZ-OXQOHEQNSA-N 2 2 359.464 4.194 20 0 FIADLP C[NH+](C)Cc1cc(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)ccc1F ZINC000556386234 1122858818 /nfs/dbraw/zinc/85/88/18/1122858818.db2.gz OCNHSZHLYPGOLL-UHFFFAOYSA-N 2 2 374.353 4.215 20 0 FIADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000130722014 1122909659 /nfs/dbraw/zinc/90/96/59/1122909659.db2.gz WQATVHRXPLUUCT-UHFFFAOYSA-N 2 2 360.914 4.491 20 0 FIADLP CCc1nc(C)c([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000132128439 1123221232 /nfs/dbraw/zinc/22/12/32/1123221232.db2.gz XWSHKTQFKDMOBG-HNNXBMFYSA-N 2 2 354.523 4.152 20 0 FIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cc2c(s1)CCC2 ZINC000132211171 1123231095 /nfs/dbraw/zinc/23/10/95/1123231095.db2.gz HXXNJQLJIMJVIA-MRXNPFEDSA-N 2 2 351.519 4.375 20 0 FIADLP Cc1c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)sc2nc(C)nc(C)c12 ZINC000921197527 1123577551 /nfs/dbraw/zinc/57/75/51/1123577551.db2.gz OYKXRXPBHOGFTD-UHFFFAOYSA-N 2 2 363.490 4.092 20 0 FIADLP c1nc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)sc1-c1ccccc1 ZINC000134917970 1123693446 /nfs/dbraw/zinc/69/34/46/1123693446.db2.gz LAXNWMHQZQUJOA-MJGOQNOKSA-N 2 2 353.535 4.259 20 0 FIADLP c1nc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)sc1-c1ccccc1 ZINC000134917970 1123693448 /nfs/dbraw/zinc/69/34/48/1123693448.db2.gz LAXNWMHQZQUJOA-MJGOQNOKSA-N 2 2 353.535 4.259 20 0 FIADLP c1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)sc1-c1ccccc1 ZINC000134917970 1123693452 /nfs/dbraw/zinc/69/34/52/1123693452.db2.gz LAXNWMHQZQUJOA-MJGOQNOKSA-N 2 2 353.535 4.259 20 0 FIADLP c1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)sc1-c1ccccc1 ZINC000134917970 1123693457 /nfs/dbraw/zinc/69/34/57/1123693457.db2.gz LAXNWMHQZQUJOA-MJGOQNOKSA-N 2 2 353.535 4.259 20 0 FIADLP c1nc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)sc1-c1ccccc1 ZINC000134917944 1123693722 /nfs/dbraw/zinc/69/37/22/1123693722.db2.gz LAXNWMHQZQUJOA-IEBWSBKVSA-N 2 2 353.535 4.259 20 0 FIADLP c1nc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)sc1-c1ccccc1 ZINC000134917944 1123693725 /nfs/dbraw/zinc/69/37/25/1123693725.db2.gz LAXNWMHQZQUJOA-IEBWSBKVSA-N 2 2 353.535 4.259 20 0 FIADLP c1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)sc1-c1ccccc1 ZINC000134917944 1123693727 /nfs/dbraw/zinc/69/37/27/1123693727.db2.gz LAXNWMHQZQUJOA-IEBWSBKVSA-N 2 2 353.535 4.259 20 0 FIADLP c1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)sc1-c1ccccc1 ZINC000134917944 1123693730 /nfs/dbraw/zinc/69/37/30/1123693730.db2.gz LAXNWMHQZQUJOA-IEBWSBKVSA-N 2 2 353.535 4.259 20 0 FIADLP CCc1nn(C)c(CC)c1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245717162 1124217612 /nfs/dbraw/zinc/21/76/12/1124217612.db2.gz HDWNSWISMVKFEL-ICSRJNTNSA-N 2 2 368.569 4.030 20 0 FIADLP CCc1nn(C)c(CC)c1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245717162 1124217619 /nfs/dbraw/zinc/21/76/19/1124217619.db2.gz HDWNSWISMVKFEL-ICSRJNTNSA-N 2 2 368.569 4.030 20 0 FIADLP CCc1nn(C)c(CC)c1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245717162 1124217626 /nfs/dbraw/zinc/21/76/26/1124217626.db2.gz HDWNSWISMVKFEL-ICSRJNTNSA-N 2 2 368.569 4.030 20 0 FIADLP CCc1nn(C)c(CC)c1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245717162 1124217632 /nfs/dbraw/zinc/21/76/32/1124217632.db2.gz HDWNSWISMVKFEL-ICSRJNTNSA-N 2 2 368.569 4.030 20 0 FIADLP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)on1 ZINC000542776039 1124253886 /nfs/dbraw/zinc/25/38/86/1124253886.db2.gz OCKLDFAHSVQJCL-WBVHZDCISA-N 2 2 365.477 4.076 20 0 FIADLP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)on1 ZINC000542776039 1124253893 /nfs/dbraw/zinc/25/38/93/1124253893.db2.gz OCKLDFAHSVQJCL-WBVHZDCISA-N 2 2 365.477 4.076 20 0 FIADLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1(CC)CC ZINC000245843408 1124261251 /nfs/dbraw/zinc/26/12/51/1124261251.db2.gz DXMHYXMAECIDAO-DUXKGJEZSA-N 2 2 359.558 4.180 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000245870313 1124269054 /nfs/dbraw/zinc/26/90/54/1124269054.db2.gz RIZYCRAWCSLTPG-ROUUACIJSA-N 2 2 372.582 4.235 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000245870313 1124269057 /nfs/dbraw/zinc/26/90/57/1124269057.db2.gz RIZYCRAWCSLTPG-ROUUACIJSA-N 2 2 372.582 4.235 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000245870313 1124269060 /nfs/dbraw/zinc/26/90/60/1124269060.db2.gz RIZYCRAWCSLTPG-ROUUACIJSA-N 2 2 372.582 4.235 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000245870313 1124269067 /nfs/dbraw/zinc/26/90/67/1124269067.db2.gz RIZYCRAWCSLTPG-ROUUACIJSA-N 2 2 372.582 4.235 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000247015816 1124581996 /nfs/dbraw/zinc/58/19/96/1124581996.db2.gz KOSIWDIGSRAVOA-RMFNQSEZSA-N 2 2 369.475 4.250 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000247015816 1124582008 /nfs/dbraw/zinc/58/20/08/1124582008.db2.gz KOSIWDIGSRAVOA-RMFNQSEZSA-N 2 2 369.475 4.250 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(F)cc1F ZINC000247170313 1124596811 /nfs/dbraw/zinc/59/68/11/1124596811.db2.gz UONYFOLDUJQHSJ-HZPDHXFCSA-N 2 2 360.448 4.036 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(F)cc1F ZINC000247170313 1124596817 /nfs/dbraw/zinc/59/68/17/1124596817.db2.gz UONYFOLDUJQHSJ-HZPDHXFCSA-N 2 2 360.448 4.036 20 0 FIADLP CCCOCc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247233366 1124601335 /nfs/dbraw/zinc/60/13/35/1124601335.db2.gz YKEHDXGKQBFPJU-AUSIDOKSSA-N 2 2 367.537 4.008 20 0 FIADLP CCCOCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247233366 1124601340 /nfs/dbraw/zinc/60/13/40/1124601340.db2.gz YKEHDXGKQBFPJU-AUSIDOKSSA-N 2 2 367.537 4.008 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000248075227 1124741586 /nfs/dbraw/zinc/74/15/86/1124741586.db2.gz MVXVMYPEHQPYBC-DYESRHJHSA-N 2 2 369.940 4.267 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000248075227 1124741593 /nfs/dbraw/zinc/74/15/93/1124741593.db2.gz MVXVMYPEHQPYBC-DYESRHJHSA-N 2 2 369.940 4.267 20 0 FIADLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168686630 1124824898 /nfs/dbraw/zinc/82/48/98/1124824898.db2.gz ZJQLQVAHAJJOCM-LJQANCHMSA-N 2 2 370.924 4.070 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1nccn1-c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000672553122 1125168549 /nfs/dbraw/zinc/16/85/49/1125168549.db2.gz VFWKPGAIHAJUOR-URVUXULASA-N 2 2 374.532 4.434 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1nccn1-c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000672553122 1125168551 /nfs/dbraw/zinc/16/85/51/1125168551.db2.gz VFWKPGAIHAJUOR-URVUXULASA-N 2 2 374.532 4.434 20 0 FIADLP COc1cccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000093318296 1125298522 /nfs/dbraw/zinc/29/85/22/1125298522.db2.gz ASSNEMDAKDGZPZ-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000093318296 1125298526 /nfs/dbraw/zinc/29/85/26/1125298526.db2.gz ASSNEMDAKDGZPZ-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000093318296 1125298530 /nfs/dbraw/zinc/29/85/30/1125298530.db2.gz ASSNEMDAKDGZPZ-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000093318296 1125298535 /nfs/dbraw/zinc/29/85/35/1125298535.db2.gz ASSNEMDAKDGZPZ-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP CCc1nn(C)c(CC)c1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318692 1125299223 /nfs/dbraw/zinc/29/92/23/1125299223.db2.gz HDWNSWISMVKFEL-QUCCMNQESA-N 2 2 368.569 4.030 20 0 FIADLP CCc1nn(C)c(CC)c1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318692 1125299229 /nfs/dbraw/zinc/29/92/29/1125299229.db2.gz HDWNSWISMVKFEL-QUCCMNQESA-N 2 2 368.569 4.030 20 0 FIADLP CCc1nn(C)c(CC)c1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318692 1125299234 /nfs/dbraw/zinc/29/92/34/1125299234.db2.gz HDWNSWISMVKFEL-QUCCMNQESA-N 2 2 368.569 4.030 20 0 FIADLP CCc1nn(C)c(CC)c1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318692 1125299238 /nfs/dbraw/zinc/29/92/38/1125299238.db2.gz HDWNSWISMVKFEL-QUCCMNQESA-N 2 2 368.569 4.030 20 0 FIADLP Cc1ccc(-c2ccc(C[NH+]3CCC([N@H+](C)CCCO)CC3)s2)cc1 ZINC000093412931 1125324371 /nfs/dbraw/zinc/32/43/71/1125324371.db2.gz UULXAVOSGRCZIP-UHFFFAOYSA-N 2 2 358.551 4.002 20 0 FIADLP Cc1ccc(-c2ccc(C[NH+]3CCC([N@@H+](C)CCCO)CC3)s2)cc1 ZINC000093412931 1125324375 /nfs/dbraw/zinc/32/43/75/1125324375.db2.gz UULXAVOSGRCZIP-UHFFFAOYSA-N 2 2 358.551 4.002 20 0 FIADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]C2CCC(C)(c3ccccc3)CC2)CCO1 ZINC000275616158 527512695 /nfs/dbraw/zinc/51/26/95/527512695.db2.gz RIWOHAYQAFPUQA-MHAWWQJISA-N 2 2 353.510 4.130 20 0 FIADLP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccsc1 ZINC000563119847 568224591 /nfs/dbraw/zinc/22/45/91/568224591.db2.gz JPUMPQLUMXKNFC-NHCUHLMSSA-N 2 2 369.578 4.138 20 0 FIADLP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccsc1 ZINC000563119847 568224592 /nfs/dbraw/zinc/22/45/92/568224592.db2.gz JPUMPQLUMXKNFC-NHCUHLMSSA-N 2 2 369.578 4.138 20 0 FIADLP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000563119877 568224712 /nfs/dbraw/zinc/22/47/12/568224712.db2.gz LGSZXLZLMPKUCJ-GHTZIAJQSA-N 2 2 352.526 4.312 20 0 FIADLP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000563119877 568224713 /nfs/dbraw/zinc/22/47/13/568224713.db2.gz LGSZXLZLMPKUCJ-GHTZIAJQSA-N 2 2 352.526 4.312 20 0 FIADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(F)c1 ZINC000390844655 568322930 /nfs/dbraw/zinc/32/29/30/568322930.db2.gz DVOKCHBGGQOHJC-VXKWHMMOSA-N 2 2 356.485 4.158 20 0 FIADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(F)c1 ZINC000390844655 568322931 /nfs/dbraw/zinc/32/29/31/568322931.db2.gz DVOKCHBGGQOHJC-VXKWHMMOSA-N 2 2 356.485 4.158 20 0 FIADLP Cc1cc(F)ccc1N1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000605009231 568516168 /nfs/dbraw/zinc/51/61/68/568516168.db2.gz XTYMFPJNUKMIRD-FQEVSTJZSA-N 2 2 364.468 4.078 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@@H+]1C ZINC000093643619 1125470596 /nfs/dbraw/zinc/47/05/96/1125470596.db2.gz OCHWOOKPJCINQH-GJZGRUSLSA-N 2 2 355.507 4.471 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@H+]1C ZINC000093643619 1125470613 /nfs/dbraw/zinc/47/06/13/1125470613.db2.gz OCHWOOKPJCINQH-GJZGRUSLSA-N 2 2 355.507 4.471 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3nc4ccccc4s3)o2)CC[NH+]1C ZINC000093643619 1125470615 /nfs/dbraw/zinc/47/06/15/1125470615.db2.gz OCHWOOKPJCINQH-GJZGRUSLSA-N 2 2 355.507 4.471 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3nc4ccccc4s3)o2)CC[NH+]1C ZINC000093643619 1125470626 /nfs/dbraw/zinc/47/06/26/1125470626.db2.gz OCHWOOKPJCINQH-GJZGRUSLSA-N 2 2 355.507 4.471 20 0 FIADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060031 1125577490 /nfs/dbraw/zinc/57/74/90/1125577490.db2.gz RKELITRZXZLFHI-MRXNPFEDSA-N 2 2 374.916 4.056 20 0 FIADLP c1cn(Cc2ccc(-c3cc(NCCc4ccccn4)cc[nH+]3)cc2)c[nH+]1 ZINC000619423632 1125589832 /nfs/dbraw/zinc/58/98/32/1125589832.db2.gz DZCLKVZHNQJCGW-UHFFFAOYSA-N 2 2 355.445 4.043 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]CCSCc1ccccc1)c1ccccc1 ZINC000619535494 1125615159 /nfs/dbraw/zinc/61/51/59/1125615159.db2.gz GMDVSYSNGFSVQQ-HXUWFJFHSA-N 2 2 351.519 4.227 20 0 FIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(OC(F)(F)F)c1 ZINC000152829154 1125662515 /nfs/dbraw/zinc/66/25/15/1125662515.db2.gz FWKAQNNOHOLJBG-ZDUSSCGKSA-N 2 2 353.388 4.011 20 0 FIADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1Br ZINC000152836429 1125663379 /nfs/dbraw/zinc/66/33/79/1125663379.db2.gz FGVJHJZEHSPSTF-KRWDZBQOSA-N 2 2 362.315 4.265 20 0 FIADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)cc1Br ZINC001206767435 1079761440 /nfs/dbraw/zinc/76/14/40/1079761440.db2.gz BGRJBTRGPBJLEW-QWRGUYRKSA-N 2 2 365.237 4.027 20 0 FIADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)cc1Br ZINC001206767435 1079761444 /nfs/dbraw/zinc/76/14/44/1079761444.db2.gz BGRJBTRGPBJLEW-QWRGUYRKSA-N 2 2 365.237 4.027 20 0 FIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@@H+]2CCC[C@@H](C)CC2)c1=S ZINC000748084265 1080201668 /nfs/dbraw/zinc/20/16/68/1080201668.db2.gz TUIKBENDHUJICQ-IAGOWNOFSA-N 2 2 367.607 4.306 20 0 FIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@H+]2CCC[C@@H](C)CC2)c1=S ZINC000748084265 1080201688 /nfs/dbraw/zinc/20/16/88/1080201688.db2.gz TUIKBENDHUJICQ-IAGOWNOFSA-N 2 2 367.607 4.306 20 0 FIADLP COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000510169151 1080654292 /nfs/dbraw/zinc/65/42/92/1080654292.db2.gz KWCVNPJNCUTXTN-GZTJUZNOSA-N 2 2 365.452 4.351 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)s1 ZINC000510225062 1080810188 /nfs/dbraw/zinc/81/01/88/1080810188.db2.gz BJBDTLPNPLZRPY-FQEVSTJZSA-N 2 2 351.519 4.278 20 0 FIADLP C[C@@H]([NH2+]Cc1ncoc1-c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547825908 1080942201 /nfs/dbraw/zinc/94/22/01/1080942201.db2.gz WGRDPHLVKBWDBC-WIYYLYMNSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@@H]([NH2+]Cc1ncoc1-c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547825908 1080942202 /nfs/dbraw/zinc/94/22/02/1080942202.db2.gz WGRDPHLVKBWDBC-WIYYLYMNSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(-c2cccs2)cc1 ZINC000655704070 1081125214 /nfs/dbraw/zinc/12/52/14/1081125214.db2.gz ZPOYMWCVQHNPJX-JXFKEZNVSA-N 2 2 356.535 4.319 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(-c2cccs2)cc1 ZINC000655704073 1081125368 /nfs/dbraw/zinc/12/53/68/1081125368.db2.gz ZPOYMWCVQHNPJX-UZLBHIALSA-N 2 2 356.535 4.319 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(-c2cccs2)cc1 ZINC000655704071 1081125682 /nfs/dbraw/zinc/12/56/82/1081125682.db2.gz ZPOYMWCVQHNPJX-OXJNMPFZSA-N 2 2 356.535 4.319 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(-c2cccs2)cc1 ZINC000655704072 1081125803 /nfs/dbraw/zinc/12/58/03/1081125803.db2.gz ZPOYMWCVQHNPJX-OXQOHEQNSA-N 2 2 356.535 4.319 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000655704982 1081126286 /nfs/dbraw/zinc/12/62/86/1081126286.db2.gz SHKUDEZDSHSECP-RXVVDRJESA-N 2 2 366.505 4.383 20 0 FIADLP Cc1c2ccccc2oc1[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000655710960 1081130029 /nfs/dbraw/zinc/13/00/29/1081130029.db2.gz FGEQUTIMHNRDMJ-RXVVDRJESA-N 2 2 356.510 4.281 20 0 FIADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(O[C@H](C)CC(C)C)c1 ZINC000655723491 1081141048 /nfs/dbraw/zinc/14/10/48/1081141048.db2.gz OYPXZBVOZDHZGJ-KNQAVFIVSA-N 2 2 374.569 4.151 20 0 FIADLP c1ccc(-c2ccc3c(c2)[C@H]([NH2+]C2CC[NH+]([C@@H]4CCOC4)CC2)CC3)cc1 ZINC000655756156 1081176872 /nfs/dbraw/zinc/17/68/72/1081176872.db2.gz PLLFVIFLZZDRHS-ISKFKSNPSA-N 2 2 362.517 4.184 20 0 FIADLP Cc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)c1Br ZINC001648886908 1081347542 /nfs/dbraw/zinc/34/75/42/1081347542.db2.gz RQOFFPPVLODOBW-MRXNPFEDSA-N 2 2 364.331 4.467 20 0 FIADLP COC[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(Cl)cc1 ZINC000683818011 1081625212 /nfs/dbraw/zinc/62/52/12/1081625212.db2.gz DHAWTUQCKFBRLW-UXHICEINSA-N 2 2 369.896 4.335 20 0 FIADLP Cn1c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)nc2cc(Cl)ccc21 ZINC000124225786 1081714072 /nfs/dbraw/zinc/71/40/72/1081714072.db2.gz HSHGUDCKOVGTFZ-UHFFFAOYSA-N 2 2 360.933 4.113 20 0 FIADLP c1cn(CCCC2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)c[nH+]1 ZINC000580177986 1081732891 /nfs/dbraw/zinc/73/28/91/1081732891.db2.gz BTMJZVCHAHRZTL-UHFFFAOYSA-N 2 2 369.538 4.162 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc3cc(Br)ccc3o1)CCC2 ZINC000580660592 1082069528 /nfs/dbraw/zinc/06/95/28/1082069528.db2.gz RMGVHXHWMZWRSR-ZDUSSCGKSA-N 2 2 374.282 4.367 20 0 FIADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001167429407 1082076977 /nfs/dbraw/zinc/07/69/77/1082076977.db2.gz JKJJDPNMTJTLNQ-INIZCTEOSA-N 2 2 351.332 4.065 20 0 FIADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001167429407 1082076984 /nfs/dbraw/zinc/07/69/84/1082076984.db2.gz JKJJDPNMTJTLNQ-INIZCTEOSA-N 2 2 351.332 4.065 20 0 FIADLP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000581043256 1082290040 /nfs/dbraw/zinc/29/00/40/1082290040.db2.gz XJWJFNRDGLQIIN-HZPDHXFCSA-N 2 2 362.315 4.031 20 0 FIADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CCS2 ZINC000276094371 1082429159 /nfs/dbraw/zinc/42/91/59/1082429159.db2.gz DHIHALZOLXIWOQ-HXUWFJFHSA-N 2 2 365.502 4.267 20 0 FIADLP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000581399657 1082526623 /nfs/dbraw/zinc/52/66/23/1082526623.db2.gz ZFDZHOGHERHKBM-QGZVFWFLSA-N 2 2 351.966 4.014 20 0 FIADLP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000581399657 1082526627 /nfs/dbraw/zinc/52/66/27/1082526627.db2.gz ZFDZHOGHERHKBM-QGZVFWFLSA-N 2 2 351.966 4.014 20 0 FIADLP Cc1c([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cnn1C(C)(C)C ZINC000276333973 1082638748 /nfs/dbraw/zinc/63/87/48/1082638748.db2.gz JBIHDPOWTGZCJS-INIZCTEOSA-N 2 2 351.498 4.042 20 0 FIADLP CC(C)(C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000684410790 1082857132 /nfs/dbraw/zinc/85/71/32/1082857132.db2.gz JZWWBRFVNZBEMO-UHFFFAOYSA-N 2 2 354.460 4.359 20 0 FIADLP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2)ccc1OCc1cccs1 ZINC000581851949 1082930915 /nfs/dbraw/zinc/93/09/15/1082930915.db2.gz LSFYRBQBRPJEKD-UHFFFAOYSA-N 2 2 371.506 4.054 20 0 FIADLP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)ccc1OCc1cccs1 ZINC000581851949 1082930919 /nfs/dbraw/zinc/93/09/19/1082930919.db2.gz LSFYRBQBRPJEKD-UHFFFAOYSA-N 2 2 371.506 4.054 20 0 FIADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000156461758 1083020104 /nfs/dbraw/zinc/02/01/04/1083020104.db2.gz APEZVSAIVCJTLW-AVRDEDQJSA-N 2 2 374.488 4.072 20 0 FIADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000156461758 1083020110 /nfs/dbraw/zinc/02/01/10/1083020110.db2.gz APEZVSAIVCJTLW-AVRDEDQJSA-N 2 2 374.488 4.072 20 0 FIADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000091671431 1083275134 /nfs/dbraw/zinc/27/51/34/1083275134.db2.gz JFYUTROVDSUVME-UHFFFAOYSA-N 2 2 374.532 4.374 20 0 FIADLP C[NH+](C)C1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000091669945 1083343269 /nfs/dbraw/zinc/34/32/69/1083343269.db2.gz QMJQQAUNMRKKRA-UHFFFAOYSA-N 2 2 374.532 4.124 20 0 FIADLP Cc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(C)n1 ZINC000684557881 1083348595 /nfs/dbraw/zinc/34/85/95/1083348595.db2.gz OOCRQMINMJEIRI-OOHWJJMZSA-N 2 2 355.448 4.154 20 0 FIADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658293081 1083396422 /nfs/dbraw/zinc/39/64/22/1083396422.db2.gz CSVWAXVCMAOHDA-SJLPKXTDSA-N 2 2 368.974 4.054 20 0 FIADLP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCCS2 ZINC000658296285 1083399157 /nfs/dbraw/zinc/39/91/57/1083399157.db2.gz YJEUVHWOXRZRLJ-FUHWJXTLSA-N 2 2 366.958 4.110 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000548487951 1083490031 /nfs/dbraw/zinc/49/00/31/1083490031.db2.gz GDCARKXTJHSJJE-GHTZIAJQSA-N 2 2 367.537 4.259 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000548487951 1083490043 /nfs/dbraw/zinc/49/00/43/1083490043.db2.gz GDCARKXTJHSJJE-GHTZIAJQSA-N 2 2 367.537 4.259 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000548487954 1083490453 /nfs/dbraw/zinc/49/04/53/1083490453.db2.gz GDCARKXTJHSJJE-RXVVDRJESA-N 2 2 367.537 4.259 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000548487954 1083490461 /nfs/dbraw/zinc/49/04/61/1083490461.db2.gz GDCARKXTJHSJJE-RXVVDRJESA-N 2 2 367.537 4.259 20 0 FIADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000510950294 1083528279 /nfs/dbraw/zinc/52/82/79/1083528279.db2.gz YXESGXZBEOUUDY-VLIAUNLRSA-N 2 2 351.425 4.358 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000510952622 1083529630 /nfs/dbraw/zinc/52/96/30/1083529630.db2.gz RXRCXPFDJBRLLG-NRFANRHFSA-N 3 2 357.586 4.140 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000510952622 1083529640 /nfs/dbraw/zinc/52/96/40/1083529640.db2.gz RXRCXPFDJBRLLG-NRFANRHFSA-N 3 2 357.586 4.140 20 0 FIADLP Cc1[nH]c(CNc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)[nH+]c1C ZINC000628238900 1083610399 /nfs/dbraw/zinc/61/03/99/1083610399.db2.gz SZBRANJUNIYACC-NRFANRHFSA-N 2 2 370.541 4.418 20 0 FIADLP Cc1[nH]c(CNc2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)[nH+]c1C ZINC000628238900 1083610413 /nfs/dbraw/zinc/61/04/13/1083610413.db2.gz SZBRANJUNIYACC-NRFANRHFSA-N 2 2 370.541 4.418 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000535809987 1083681430 /nfs/dbraw/zinc/68/14/30/1083681430.db2.gz SZCAJKHIKMOART-OXJNMPFZSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000535809987 1083681438 /nfs/dbraw/zinc/68/14/38/1083681438.db2.gz SZCAJKHIKMOART-OXJNMPFZSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000535809987 1083681445 /nfs/dbraw/zinc/68/14/45/1083681445.db2.gz SZCAJKHIKMOART-OXJNMPFZSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000535809987 1083681448 /nfs/dbraw/zinc/68/14/48/1083681448.db2.gz SZCAJKHIKMOART-OXJNMPFZSA-N 2 2 370.928 4.179 20 0 FIADLP c1cn(-c2csc(C[NH2+]C[C@@H]3CCCO[C@@H]3c3ccccc3)c2)c[nH+]1 ZINC001648924802 1084003352 /nfs/dbraw/zinc/00/33/52/1084003352.db2.gz SPEDUVFSSVZBLX-FXAWDEMLSA-N 2 2 353.491 4.191 20 0 FIADLP c1cn(-c2csc(C[NH2+]C[C@H]3CCCO[C@@H]3c3ccccc3)c2)c[nH+]1 ZINC001648924805 1084003700 /nfs/dbraw/zinc/00/37/00/1084003700.db2.gz SPEDUVFSSVZBLX-YLJYHZDGSA-N 2 2 353.491 4.191 20 0 FIADLP COc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1 ZINC000684669618 1084163849 /nfs/dbraw/zinc/16/38/49/1084163849.db2.gz YJMOPXCYLBTNKB-UHFFFAOYSA-N 2 2 355.869 4.248 20 0 FIADLP COc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1 ZINC000684669618 1084163856 /nfs/dbraw/zinc/16/38/56/1084163856.db2.gz YJMOPXCYLBTNKB-UHFFFAOYSA-N 2 2 355.869 4.248 20 0 FIADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ncc(Cl)s1 ZINC000472080484 1084252593 /nfs/dbraw/zinc/25/25/93/1084252593.db2.gz PIOHJMTWFXAXMC-UHFFFAOYSA-N 2 2 361.898 4.311 20 0 FIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ncc(Cl)s1 ZINC000472080484 1084252602 /nfs/dbraw/zinc/25/26/02/1084252602.db2.gz PIOHJMTWFXAXMC-UHFFFAOYSA-N 2 2 361.898 4.311 20 0 FIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(C2CC2)s1 ZINC000548972805 1084253967 /nfs/dbraw/zinc/25/39/67/1084253967.db2.gz RZFCHZZMCKJWQG-LJQANCHMSA-N 2 2 355.551 4.411 20 0 FIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(C2CC2)s1 ZINC000548972805 1084253980 /nfs/dbraw/zinc/25/39/80/1084253980.db2.gz RZFCHZZMCKJWQG-LJQANCHMSA-N 2 2 355.551 4.411 20 0 FIADLP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472502583 1084339120 /nfs/dbraw/zinc/33/91/20/1084339120.db2.gz OLYVDTVYRNRJMB-GOEBONIOSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472502583 1084339128 /nfs/dbraw/zinc/33/91/28/1084339128.db2.gz OLYVDTVYRNRJMB-GOEBONIOSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@@H](c1ccccc1Br)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472502583 1084339137 /nfs/dbraw/zinc/33/91/37/1084339137.db2.gz OLYVDTVYRNRJMB-GOEBONIOSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@@H](c1ccccc1Br)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472502583 1084339148 /nfs/dbraw/zinc/33/91/48/1084339148.db2.gz OLYVDTVYRNRJMB-GOEBONIOSA-N 2 2 351.332 4.174 20 0 FIADLP CC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CO1 ZINC000657351866 1084690907 /nfs/dbraw/zinc/69/09/07/1084690907.db2.gz HBEMNTOJSGUYJS-VXKWHMMOSA-N 2 2 361.489 4.256 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccc(F)cc2F)CC[N@@H+]1C ZINC000657382587 1084825133 /nfs/dbraw/zinc/82/51/33/1084825133.db2.gz SATASBNTFUZYQP-DNVCBOLYSA-N 2 2 360.448 4.116 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccc(F)cc2F)CC[N@H+]1C ZINC000657382587 1084825137 /nfs/dbraw/zinc/82/51/37/1084825137.db2.gz SATASBNTFUZYQP-DNVCBOLYSA-N 2 2 360.448 4.116 20 0 FIADLP C[C@H]1C[N@H+](Cc2cccc(CNc3cc[nH+]c4cc(F)ccc34)c2)CCO1 ZINC000685904881 1085013002 /nfs/dbraw/zinc/01/30/02/1085013002.db2.gz BNCIWFZBZYNYGG-INIZCTEOSA-N 2 2 365.452 4.207 20 0 FIADLP C[C@H]1C[N@@H+](Cc2cccc(CNc3cc[nH+]c4cc(F)ccc34)c2)CCO1 ZINC000685904881 1085013013 /nfs/dbraw/zinc/01/30/13/1085013013.db2.gz BNCIWFZBZYNYGG-INIZCTEOSA-N 2 2 365.452 4.207 20 0 FIADLP Cc1cccc2oc(CC[NH2+][C@H]3C[N@H+](Cc4ccccc4)C(C)(C)C3)nc21 ZINC000685000139 1085444326 /nfs/dbraw/zinc/44/43/26/1085444326.db2.gz AZGSXGYPAOGZEY-LJQANCHMSA-N 2 2 363.505 4.321 20 0 FIADLP Cc1cccc2oc(CC[NH2+][C@H]3C[N@@H+](Cc4ccccc4)C(C)(C)C3)nc21 ZINC000685000139 1085444329 /nfs/dbraw/zinc/44/43/29/1085444329.db2.gz AZGSXGYPAOGZEY-LJQANCHMSA-N 2 2 363.505 4.321 20 0 FIADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(C)c1 ZINC000560548495 1085637701 /nfs/dbraw/zinc/63/77/01/1085637701.db2.gz GKQIKUBRKIZHBC-NRFANRHFSA-N 2 2 352.526 4.484 20 0 FIADLP CC1(C)C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2cc(F)ccc2O1 ZINC000651949003 1085704536 /nfs/dbraw/zinc/70/45/36/1085704536.db2.gz AOEDTFSAXUBUPC-IBGZPJMESA-N 2 2 351.425 4.403 20 0 FIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2csc(Cl)c2Cl)[C@H](C)C1 ZINC000432245463 1085947368 /nfs/dbraw/zinc/94/73/68/1085947368.db2.gz JCLOTDCYOORAMG-OCCSQVGLSA-N 2 2 365.370 4.282 20 0 FIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2csc(Cl)c2Cl)[C@H](C)C1 ZINC000432245463 1085947371 /nfs/dbraw/zinc/94/73/71/1085947371.db2.gz JCLOTDCYOORAMG-OCCSQVGLSA-N 2 2 365.370 4.282 20 0 FIADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000015504700 1086032051 /nfs/dbraw/zinc/03/20/51/1086032051.db2.gz YHEIVCZFVMVFFA-UHFFFAOYSA-N 2 2 370.496 4.378 20 0 FIADLP Cc1c(C)n(C2CCCC2)c2nc[nH+]c(NCc3ccc(N)[nH+]c3C)c12 ZINC001167786591 1086071630 /nfs/dbraw/zinc/07/16/30/1086071630.db2.gz STWMODZVZSXLLF-UHFFFAOYSA-N 2 2 350.470 4.061 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cc(Cl)ccc1O ZINC000248521671 1086171118 /nfs/dbraw/zinc/17/11/18/1086171118.db2.gz RODHDLHXNIJARM-HZPDHXFCSA-N 2 2 374.912 4.117 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cc(Cl)ccc1O ZINC000248521671 1086171124 /nfs/dbraw/zinc/17/11/24/1086171124.db2.gz RODHDLHXNIJARM-HZPDHXFCSA-N 2 2 374.912 4.117 20 0 FIADLP C[C@@H](c1ccc(Oc2ccccc2)cc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662146804 1086206975 /nfs/dbraw/zinc/20/69/75/1086206975.db2.gz BEPZAPXMUMBUTR-GHTZIAJQSA-N 2 2 366.505 4.071 20 0 FIADLP C[C@@H](c1ccc(Oc2ccccc2)cc1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662146804 1086206986 /nfs/dbraw/zinc/20/69/86/1086206986.db2.gz BEPZAPXMUMBUTR-GHTZIAJQSA-N 2 2 366.505 4.071 20 0 FIADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@]1(C)Cc1ccccc1C(F)(F)F ZINC000662156688 1086214366 /nfs/dbraw/zinc/21/43/66/1086214366.db2.gz SCDGNCPCIQJVMU-GOSISDBHSA-N 2 2 351.416 4.079 20 0 FIADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@]1(C)Cc1ccccc1C(F)(F)F ZINC000662156688 1086214372 /nfs/dbraw/zinc/21/43/72/1086214372.db2.gz SCDGNCPCIQJVMU-GOSISDBHSA-N 2 2 351.416 4.079 20 0 FIADLP c1cc(Sc2ccccn2)oc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344331 1086446373 /nfs/dbraw/zinc/44/63/73/1086446373.db2.gz ROKUZFYCQSCKRJ-KRWDZBQOSA-N 2 2 357.523 4.037 20 0 FIADLP c1cc(Sc2ccccn2)oc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344331 1086446379 /nfs/dbraw/zinc/44/63/79/1086446379.db2.gz ROKUZFYCQSCKRJ-KRWDZBQOSA-N 2 2 357.523 4.037 20 0 FIADLP COc1ccc(-c2nc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cs2)cc1 ZINC000663347062 1086448220 /nfs/dbraw/zinc/44/82/20/1086448220.db2.gz HGSKDDNGSGAHTI-QGZVFWFLSA-N 2 2 371.550 4.030 20 0 FIADLP COc1ccc(-c2nc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cs2)cc1 ZINC000663347062 1086448225 /nfs/dbraw/zinc/44/82/25/1086448225.db2.gz HGSKDDNGSGAHTI-QGZVFWFLSA-N 2 2 371.550 4.030 20 0 FIADLP c1cn2c(n1)[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CCc1ccccc1-2 ZINC000663349829 1086448905 /nfs/dbraw/zinc/44/89/05/1086448905.db2.gz OTOODPFENLPYGN-JOCHJYFZSA-N 2 2 372.516 4.114 20 0 FIADLP CC(C)[C@@H](O)[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000657745657 1086466074 /nfs/dbraw/zinc/46/60/74/1086466074.db2.gz JOYMRONJULOLSS-DNQXCXABSA-N 2 2 366.549 4.041 20 0 FIADLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc(C(F)(F)F)c1 ZINC001143524807 1086466135 /nfs/dbraw/zinc/46/61/35/1086466135.db2.gz LIIXXCNVHXGGQI-MRXNPFEDSA-N 2 2 366.383 4.071 20 0 FIADLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc(C(F)(F)F)c1 ZINC001143524807 1086466142 /nfs/dbraw/zinc/46/61/42/1086466142.db2.gz LIIXXCNVHXGGQI-MRXNPFEDSA-N 2 2 366.383 4.071 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc2ccccc2c1OC(F)F ZINC000925777014 1086572426 /nfs/dbraw/zinc/57/24/26/1086572426.db2.gz BSHYVCBOXKLSTP-JSGCOSHPSA-N 2 2 370.390 4.337 20 0 FIADLP Cc1[nH+]ccn1CC[N@@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000473204834 1086607838 /nfs/dbraw/zinc/60/78/38/1086607838.db2.gz UNHJRSCFPMFHRL-MRXNPFEDSA-N 2 2 355.429 4.000 20 0 FIADLP Cc1[nH+]ccn1CC[N@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000473204834 1086607843 /nfs/dbraw/zinc/60/78/43/1086607843.db2.gz UNHJRSCFPMFHRL-MRXNPFEDSA-N 2 2 355.429 4.000 20 0 FIADLP c1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)oc1-c1ccccc1 ZINC000278917928 1086607936 /nfs/dbraw/zinc/60/79/36/1086607936.db2.gz REGADEUBSJABIS-UHFFFAOYSA-N 2 2 362.477 4.254 20 0 FIADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(-c2ccncc2)cc1 ZINC000512036414 1086682306 /nfs/dbraw/zinc/68/23/06/1086682306.db2.gz IASOWDWVDUCJMS-OAHLLOKOSA-N 2 2 352.507 4.118 20 0 FIADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1SC(F)(F)F ZINC000759967527 1086712429 /nfs/dbraw/zinc/71/24/29/1086712429.db2.gz QEBJBQOBCRSGTG-AWEZNQCLSA-N 2 2 362.461 4.223 20 0 FIADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1SC(F)(F)F ZINC000759967527 1086712433 /nfs/dbraw/zinc/71/24/33/1086712433.db2.gz QEBJBQOBCRSGTG-AWEZNQCLSA-N 2 2 362.461 4.223 20 0 FIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000432408924 1086731854 /nfs/dbraw/zinc/73/18/54/1086731854.db2.gz DHNXBGXAAJWWAF-QWHCGFSZSA-N 2 2 363.304 4.284 20 0 FIADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000432408924 1086731860 /nfs/dbraw/zinc/73/18/60/1086731860.db2.gz DHNXBGXAAJWWAF-QWHCGFSZSA-N 2 2 363.304 4.284 20 0 FIADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CCCO1 ZINC000432422480 1086747517 /nfs/dbraw/zinc/74/75/17/1086747517.db2.gz UFNRRIPGBHXAQI-CXAGYDPISA-N 2 2 357.325 4.071 20 0 FIADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CCCO1 ZINC000432422480 1086747522 /nfs/dbraw/zinc/74/75/22/1086747522.db2.gz UFNRRIPGBHXAQI-CXAGYDPISA-N 2 2 357.325 4.071 20 0 FIADLP CO[C@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000583740794 1086942155 /nfs/dbraw/zinc/94/21/55/1086942155.db2.gz TXEMDWPDHBRLLD-YLJYHZDGSA-N 2 2 373.928 4.440 20 0 FIADLP CO[C@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000583740794 1086942160 /nfs/dbraw/zinc/94/21/60/1086942160.db2.gz TXEMDWPDHBRLLD-YLJYHZDGSA-N 2 2 373.928 4.440 20 0 FIADLP Fc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccc(Cl)cc2)cc1 ZINC000427878478 1086998183 /nfs/dbraw/zinc/99/81/83/1086998183.db2.gz ARUDOIGOETYOBL-AZUAARDMSA-N 2 2 355.844 4.370 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000151314345 1087087048 /nfs/dbraw/zinc/08/70/48/1087087048.db2.gz PEZMBNIVXYYVJG-INIZCTEOSA-N 2 2 374.488 4.012 20 0 FIADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccc(Cl)cc1 ZINC000151574354 1087156777 /nfs/dbraw/zinc/15/67/77/1087156777.db2.gz JJLHOIAKJSOZBD-FVJLSDCUSA-N 2 2 373.928 4.003 20 0 FIADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccc(Cl)cc1 ZINC000151574354 1087156781 /nfs/dbraw/zinc/15/67/81/1087156781.db2.gz JJLHOIAKJSOZBD-FVJLSDCUSA-N 2 2 373.928 4.003 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000584082293 1087162745 /nfs/dbraw/zinc/16/27/45/1087162745.db2.gz ITMGVPBALDPLEO-UHFFFAOYSA-N 2 2 350.384 4.452 20 0 FIADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)CCO2 ZINC000584290953 1087250227 /nfs/dbraw/zinc/25/02/27/1087250227.db2.gz QTBHESLNFVARGX-PZJWPPBQSA-N 2 2 366.480 4.436 20 0 FIADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)CCO2 ZINC000584290953 1087250229 /nfs/dbraw/zinc/25/02/29/1087250229.db2.gz QTBHESLNFVARGX-PZJWPPBQSA-N 2 2 366.480 4.436 20 0 FIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Br)c(Cl)c1 ZINC000657845179 1087291877 /nfs/dbraw/zinc/29/18/77/1087291877.db2.gz QSXZKOXQCLHNOD-LBPRGKRZSA-N 2 2 356.695 4.430 20 0 FIADLP COc1ccccc1[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC000091284638 1087426196 /nfs/dbraw/zinc/42/61/96/1087426196.db2.gz XHCQXZHNPGIHIB-QFIPXVFZSA-N 2 2 353.510 4.292 20 0 FIADLP Clc1ccc2cccnc2c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000685427833 1087563967 /nfs/dbraw/zinc/56/39/67/1087563967.db2.gz QLDSSPNMFDYHAX-UHFFFAOYSA-N 2 2 362.864 4.423 20 0 FIADLP CCOc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1OC ZINC000685467385 1087577935 /nfs/dbraw/zinc/57/79/35/1087577935.db2.gz PKXKHDZVFMBPHY-UHFFFAOYSA-N 2 2 368.521 4.190 20 0 FIADLP CCOc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1OC ZINC000685467385 1087577941 /nfs/dbraw/zinc/57/79/41/1087577941.db2.gz PKXKHDZVFMBPHY-UHFFFAOYSA-N 2 2 368.521 4.190 20 0 FIADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C(F)F)nc1 ZINC000657897696 1087593114 /nfs/dbraw/zinc/59/31/14/1087593114.db2.gz VEZGPILEBJYEKA-KSSFIOAISA-N 2 2 356.420 4.387 20 0 FIADLP Brc1ccc(-c2ccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)o2)cc1 ZINC000685629869 1087648904 /nfs/dbraw/zinc/64/89/04/1087648904.db2.gz IOEYUQPCWYYQSO-CQSZACIVSA-N 2 2 372.266 4.079 20 0 FIADLP Clc1ccccc1C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000685662273 1087668507 /nfs/dbraw/zinc/66/85/07/1087668507.db2.gz FQIDINNPHJAOFY-PXNSSMCTSA-N 2 2 351.881 4.494 20 0 FIADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(Cl)c1 ZINC000424265924 1087888195 /nfs/dbraw/zinc/88/81/95/1087888195.db2.gz KMSVZQPIYZBUSS-HNNXBMFYSA-N 2 2 355.869 4.444 20 0 FIADLP c1csc([C@H](Cc2ccncc2)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000424272423 1087905528 /nfs/dbraw/zinc/90/55/28/1087905528.db2.gz UECKXUSHYWLBRK-IBGZPJMESA-N 2 2 364.518 4.081 20 0 FIADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000134314140 1087907196 /nfs/dbraw/zinc/90/71/96/1087907196.db2.gz XHGVXABDSMSLHD-MRXNPFEDSA-N 2 2 350.293 4.346 20 0 FIADLP C[C@@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120138916 1088104521 /nfs/dbraw/zinc/10/45/21/1088104521.db2.gz OFFAHIGGFSJHHM-DNVCBOLYSA-N 2 2 363.486 4.471 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)Cc2c(Cl)cccc2Cl)CC1 ZINC000513832302 1088433306 /nfs/dbraw/zinc/43/33/06/1088433306.db2.gz HDUZJDJSAIXFAW-CQSZACIVSA-N 2 2 373.368 4.403 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)c2ccccc2F)[C@@H]1c1cnn(C)c1 ZINC000434737256 1089009740 /nfs/dbraw/zinc/00/97/40/1089009740.db2.gz NRBLLZDNOIVRRS-XGHQBKJUSA-N 2 2 358.505 4.025 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)c2ccccc2F)[C@@H]1c1cnn(C)c1 ZINC000434737256 1089009753 /nfs/dbraw/zinc/00/97/53/1089009753.db2.gz NRBLLZDNOIVRRS-XGHQBKJUSA-N 2 2 358.505 4.025 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H](C)c2ccccc2F)[C@@H]1c1cnn(C)c1 ZINC000434737256 1089009769 /nfs/dbraw/zinc/00/97/69/1089009769.db2.gz NRBLLZDNOIVRRS-XGHQBKJUSA-N 2 2 358.505 4.025 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H](C)c2ccccc2F)[C@@H]1c1cnn(C)c1 ZINC000434737256 1089009780 /nfs/dbraw/zinc/00/97/80/1089009780.db2.gz NRBLLZDNOIVRRS-XGHQBKJUSA-N 2 2 358.505 4.025 20 0 FIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000415069365 1089121508 /nfs/dbraw/zinc/12/15/08/1089121508.db2.gz SGJSUMMQJMWBOK-HSZRJFAPSA-N 2 2 361.489 4.013 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235996 1089313672 /nfs/dbraw/zinc/31/36/72/1089313672.db2.gz TYVMBANGISUOPS-UQAQOTMJSA-N 2 2 364.533 4.059 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235996 1089313686 /nfs/dbraw/zinc/31/36/86/1089313686.db2.gz TYVMBANGISUOPS-UQAQOTMJSA-N 2 2 364.533 4.059 20 0 FIADLP CC[C@@H]1C[N@@H+]([C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647940038 1089470734 /nfs/dbraw/zinc/47/07/34/1089470734.db2.gz KRUKFUVLTUOGEP-CBQOVEMMSA-N 2 2 365.521 4.042 20 0 FIADLP CC[C@@H]1C[N@H+]([C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647940038 1089470741 /nfs/dbraw/zinc/47/07/41/1089470741.db2.gz KRUKFUVLTUOGEP-CBQOVEMMSA-N 2 2 365.521 4.042 20 0 FIADLP Fc1ccc(/C=C/C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c(F)c1 ZINC000435388171 1089593583 /nfs/dbraw/zinc/59/35/83/1089593583.db2.gz DLQTYZXULRUOPA-SGSXCFNPSA-N 2 2 357.448 4.017 20 0 FIADLP Fc1ccc(/C=C/C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c(F)c1 ZINC000435388171 1089593598 /nfs/dbraw/zinc/59/35/98/1089593598.db2.gz DLQTYZXULRUOPA-SGSXCFNPSA-N 2 2 357.448 4.017 20 0 FIADLP CCCOc1cccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435391015 1089599052 /nfs/dbraw/zinc/59/90/52/1089599052.db2.gz RDUYBGWVWMEZTJ-NRFANRHFSA-N 2 2 353.510 4.015 20 0 FIADLP CCCOc1cccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435391015 1089599068 /nfs/dbraw/zinc/59/90/68/1089599068.db2.gz RDUYBGWVWMEZTJ-NRFANRHFSA-N 2 2 353.510 4.015 20 0 FIADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000435398445 1089622543 /nfs/dbraw/zinc/62/25/43/1089622543.db2.gz OXHKTKFGCYIZIC-NSHDSACASA-N 2 2 356.322 4.288 20 0 FIADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000435398445 1089622552 /nfs/dbraw/zinc/62/25/52/1089622552.db2.gz OXHKTKFGCYIZIC-NSHDSACASA-N 2 2 356.322 4.288 20 0 FIADLP Cc1cc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)ccc1Cl ZINC000435426834 1089642291 /nfs/dbraw/zinc/64/22/91/1089642291.db2.gz KCKXILCGXZRNHO-KRWDZBQOSA-N 2 2 361.942 4.249 20 0 FIADLP Cc1cc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)ccc1Cl ZINC000435426834 1089642304 /nfs/dbraw/zinc/64/23/04/1089642304.db2.gz KCKXILCGXZRNHO-KRWDZBQOSA-N 2 2 361.942 4.249 20 0 FIADLP CC(C)Oc1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435424056 1089643713 /nfs/dbraw/zinc/64/37/13/1089643713.db2.gz XQFRSJSIPLFQET-LJQANCHMSA-N 2 2 371.550 4.075 20 0 FIADLP CC(C)Oc1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435424056 1089643721 /nfs/dbraw/zinc/64/37/21/1089643721.db2.gz XQFRSJSIPLFQET-LJQANCHMSA-N 2 2 371.550 4.075 20 0 FIADLP CN(c1ccccc1)c1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cn1 ZINC000435783020 1089944951 /nfs/dbraw/zinc/94/49/51/1089944951.db2.gz SNFXFMBFZPBIFC-UHFFFAOYSA-N 2 2 361.493 4.226 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000182087494 1090040371 /nfs/dbraw/zinc/04/03/71/1090040371.db2.gz CPGAEBBZTQVGLH-KRWDZBQOSA-N 2 2 372.944 4.128 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000182087494 1090040388 /nfs/dbraw/zinc/04/03/88/1090040388.db2.gz CPGAEBBZTQVGLH-KRWDZBQOSA-N 2 2 372.944 4.128 20 0 FIADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Br)cc1C(F)(F)F ZINC000188097738 1090169255 /nfs/dbraw/zinc/16/92/55/1090169255.db2.gz MYNQNOMFFVPBNP-JTQLQIEISA-N 2 2 362.193 4.015 20 0 FIADLP CCC[NH+]1CCC([NH2+]Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000893324222 1090984386 /nfs/dbraw/zinc/98/43/86/1090984386.db2.gz PQAVJPDVBKUGEU-UHFFFAOYSA-N 2 2 353.532 4.059 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000418022693 1091028520 /nfs/dbraw/zinc/02/85/20/1091028520.db2.gz AVTIMELVHMTOBU-RXQRSOPUSA-N 2 2 352.444 4.185 20 0 FIADLP CC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000500108838 1091043924 /nfs/dbraw/zinc/04/39/24/1091043924.db2.gz AGYRGWPJJAIWGV-HXUWFJFHSA-N 2 2 360.448 4.451 20 0 FIADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1OC(C)C ZINC000390548992 1091230374 /nfs/dbraw/zinc/23/03/74/1091230374.db2.gz WNKSNGILCQOFNC-NRFANRHFSA-N 2 2 368.521 4.237 20 0 FIADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1OC(C)C ZINC000390548992 1091230383 /nfs/dbraw/zinc/23/03/83/1091230383.db2.gz WNKSNGILCQOFNC-NRFANRHFSA-N 2 2 368.521 4.237 20 0 FIADLP CC[NH+]1CCC([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000390560335 1091262106 /nfs/dbraw/zinc/26/21/06/1091262106.db2.gz LHBIUSFEULAGBR-UHFFFAOYSA-N 3 2 365.565 4.153 20 0 FIADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(OC)c1 ZINC000390635340 1091342017 /nfs/dbraw/zinc/34/20/17/1091342017.db2.gz JUSUSPBXZAEDSQ-QFIPXVFZSA-N 2 2 368.521 4.094 20 0 FIADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(OC)c1 ZINC000390635340 1091342027 /nfs/dbraw/zinc/34/20/27/1091342027.db2.gz JUSUSPBXZAEDSQ-QFIPXVFZSA-N 2 2 368.521 4.094 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000512195712 1091887585 /nfs/dbraw/zinc/88/75/85/1091887585.db2.gz LYXBXBOVADJRQL-QZTJIDSGSA-N 2 2 370.516 4.302 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000512195712 1091887589 /nfs/dbraw/zinc/88/75/89/1091887589.db2.gz LYXBXBOVADJRQL-QZTJIDSGSA-N 2 2 370.516 4.302 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000512195712 1091887593 /nfs/dbraw/zinc/88/75/93/1091887593.db2.gz LYXBXBOVADJRQL-QZTJIDSGSA-N 2 2 370.516 4.302 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000512195712 1091887594 /nfs/dbraw/zinc/88/75/94/1091887594.db2.gz LYXBXBOVADJRQL-QZTJIDSGSA-N 2 2 370.516 4.302 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000512211529 1091914422 /nfs/dbraw/zinc/91/44/22/1091914422.db2.gz HWJIFHXKYSITJA-OALUTQOASA-N 2 2 370.516 4.098 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000512211529 1091914425 /nfs/dbraw/zinc/91/44/25/1091914425.db2.gz HWJIFHXKYSITJA-OALUTQOASA-N 2 2 370.516 4.098 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000512211529 1091914430 /nfs/dbraw/zinc/91/44/30/1091914430.db2.gz HWJIFHXKYSITJA-OALUTQOASA-N 2 2 370.516 4.098 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000512211529 1091914432 /nfs/dbraw/zinc/91/44/32/1091914432.db2.gz HWJIFHXKYSITJA-OALUTQOASA-N 2 2 370.516 4.098 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000512211532 1091914700 /nfs/dbraw/zinc/91/47/00/1091914700.db2.gz HWJIFHXKYSITJA-RBUKOAKNSA-N 2 2 370.516 4.098 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000512211532 1091914704 /nfs/dbraw/zinc/91/47/04/1091914704.db2.gz HWJIFHXKYSITJA-RBUKOAKNSA-N 2 2 370.516 4.098 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000512211532 1091914707 /nfs/dbraw/zinc/91/47/07/1091914707.db2.gz HWJIFHXKYSITJA-RBUKOAKNSA-N 2 2 370.516 4.098 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000512211532 1091914708 /nfs/dbraw/zinc/91/47/08/1091914708.db2.gz HWJIFHXKYSITJA-RBUKOAKNSA-N 2 2 370.516 4.098 20 0 FIADLP C[NH+](C)[C@H]1CCC[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000432789563 1092369050 /nfs/dbraw/zinc/36/90/50/1092369050.db2.gz SYVHOLHLMGKQSC-INIZCTEOSA-N 2 2 355.309 4.185 20 0 FIADLP C[NH+](C)[C@H]1CCC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000432789563 1092369057 /nfs/dbraw/zinc/36/90/57/1092369057.db2.gz SYVHOLHLMGKQSC-INIZCTEOSA-N 2 2 355.309 4.185 20 0 FIADLP COC(=O)c1cc([C@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)oc1C ZINC000432837728 1092586100 /nfs/dbraw/zinc/58/61/00/1092586100.db2.gz VOJJXIZNYBKZJH-SOLBZPMBSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1cc([C@H](C)[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)oc1C ZINC000432837728 1092586111 /nfs/dbraw/zinc/58/61/11/1092586111.db2.gz VOJJXIZNYBKZJH-SOLBZPMBSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1cc([C@H](C)[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)oc1C ZINC000432837728 1092586123 /nfs/dbraw/zinc/58/61/23/1092586123.db2.gz VOJJXIZNYBKZJH-SOLBZPMBSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1cc([C@H](C)[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)oc1C ZINC000432837728 1092586135 /nfs/dbraw/zinc/58/61/35/1092586135.db2.gz VOJJXIZNYBKZJH-SOLBZPMBSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)oc1C ZINC000432841096 1092588148 /nfs/dbraw/zinc/58/81/48/1092588148.db2.gz SMKXLDQPZZPHAF-UONOGXRCSA-N 2 2 367.449 4.281 20 0 FIADLP COCCC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000442712550 1092735871 /nfs/dbraw/zinc/73/58/71/1092735871.db2.gz HBQCQYVMXCYAKB-JOCHJYFZSA-N 2 2 367.468 4.328 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000152097822 1092978245 /nfs/dbraw/zinc/97/82/45/1092978245.db2.gz PIQMMESLQTXXAD-MRXNPFEDSA-N 2 2 374.488 4.012 20 0 FIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C1CC1 ZINC000474055655 1093160489 /nfs/dbraw/zinc/16/04/89/1093160489.db2.gz IWPQXTXVUNBYOH-SSGKUCQKSA-N 2 2 356.554 4.082 20 0 FIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C1CC1 ZINC000474055655 1093160498 /nfs/dbraw/zinc/16/04/98/1093160498.db2.gz IWPQXTXVUNBYOH-SSGKUCQKSA-N 2 2 356.554 4.082 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000474073820 1093188320 /nfs/dbraw/zinc/18/83/20/1093188320.db2.gz PKKFIISLUWYLJI-JKSUJKDBSA-N 2 2 351.485 4.411 20 0 FIADLP C[C@H]1CC([NH2+]C2CC[NH+](C3CCC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168020362 1093213736 /nfs/dbraw/zinc/21/37/36/1093213736.db2.gz MRBJFYRHVJPWEJ-OALUTQOASA-N 3 2 355.570 4.035 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000433104439 1093257097 /nfs/dbraw/zinc/25/70/97/1093257097.db2.gz XDHODNQTFDZTRJ-VQTJNVASSA-N 2 2 360.505 4.440 20 0 FIADLP C[C@H]1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168022648 1093312995 /nfs/dbraw/zinc/31/29/95/1093312995.db2.gz AVOOOVGUTFYMBP-KCRBMJMASA-N 3 2 355.570 4.033 20 0 FIADLP C[C@H]1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168022648 1093313005 /nfs/dbraw/zinc/31/30/05/1093313005.db2.gz AVOOOVGUTFYMBP-KCRBMJMASA-N 3 2 355.570 4.033 20 0 FIADLP C[C@@H]1CC([NH2+][C@@H]2COCc3ccccc32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168025872 1093443067 /nfs/dbraw/zinc/44/30/67/1093443067.db2.gz KDZWUWICMYUGNL-PMAPCBKXSA-N 2 2 350.506 4.289 20 0 FIADLP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCC[C@H]4C)C3)cnc21 ZINC000113934823 1093515713 /nfs/dbraw/zinc/51/57/13/1093515713.db2.gz YNPGLJAHBBXFRH-RTBURBONSA-N 2 2 369.557 4.099 20 0 FIADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H](C[NH+]4CCCC[C@H]4C)C3)cnc21 ZINC000113934823 1093515721 /nfs/dbraw/zinc/51/57/21/1093515721.db2.gz YNPGLJAHBBXFRH-RTBURBONSA-N 2 2 369.557 4.099 20 0 FIADLP CC(C)n1ncc2cc(C[NH+]3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)cnc21 ZINC000113934823 1093515728 /nfs/dbraw/zinc/51/57/28/1093515728.db2.gz YNPGLJAHBBXFRH-RTBURBONSA-N 2 2 369.557 4.099 20 0 FIADLP CC(C)n1ncc2cc(C[NH+]3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)cnc21 ZINC000113934823 1093515733 /nfs/dbraw/zinc/51/57/33/1093515733.db2.gz YNPGLJAHBBXFRH-RTBURBONSA-N 2 2 369.557 4.099 20 0 FIADLP CC[N@H+](Cc1cnccc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000474270014 1093639893 /nfs/dbraw/zinc/63/98/93/1093639893.db2.gz LFRDCSWOFGZZAD-UHFFFAOYSA-N 2 2 367.541 4.103 20 0 FIADLP CC[N@@H+](Cc1cnccc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000474270014 1093639902 /nfs/dbraw/zinc/63/99/02/1093639902.db2.gz LFRDCSWOFGZZAD-UHFFFAOYSA-N 2 2 367.541 4.103 20 0 FIADLP Fc1ccc(C2(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)CCC2)cc1 ZINC000513041741 1093689076 /nfs/dbraw/zinc/68/90/76/1093689076.db2.gz NUICFDFMIXYDDN-UHFFFAOYSA-N 2 2 358.423 4.254 20 0 FIADLP COc1ccc2nc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)sc2c1 ZINC000474348818 1093703625 /nfs/dbraw/zinc/70/36/25/1093703625.db2.gz VXRZRAYDVBMUNO-UHFFFAOYSA-N 2 2 359.539 4.192 20 0 FIADLP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3c(F)ccc(O)c3F)cc2)C1 ZINC000509901370 1093787969 /nfs/dbraw/zinc/78/79/69/1093787969.db2.gz QFGWUCNGYKJMRO-OAHLLOKOSA-N 2 2 360.448 4.192 20 0 FIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3c(F)ccc(O)c3F)cc2)C1 ZINC000509901370 1093787979 /nfs/dbraw/zinc/78/79/79/1093787979.db2.gz QFGWUCNGYKJMRO-OAHLLOKOSA-N 2 2 360.448 4.192 20 0 FIADLP CC[N@H+](CCC1(OC)CCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000549919980 1093903654 /nfs/dbraw/zinc/90/36/54/1093903654.db2.gz MBDVDCVIDZFGKZ-UHFFFAOYSA-N 2 2 374.573 4.158 20 0 FIADLP CC[N@@H+](CCC1(OC)CCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000549919980 1093903657 /nfs/dbraw/zinc/90/36/57/1093903657.db2.gz MBDVDCVIDZFGKZ-UHFFFAOYSA-N 2 2 374.573 4.158 20 0 FIADLP C[N@@H+](Cc1cc2cc(F)ccc2o1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434019293 1094240610 /nfs/dbraw/zinc/24/06/10/1094240610.db2.gz XQTPRFBQMPYNPG-KKSFZXQISA-N 2 2 353.441 4.092 20 0 FIADLP C[N@H+](Cc1cc2cc(F)ccc2o1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434019293 1094240611 /nfs/dbraw/zinc/24/06/11/1094240611.db2.gz XQTPRFBQMPYNPG-KKSFZXQISA-N 2 2 353.441 4.092 20 0 FIADLP C[NH+](Cc1cc2cc(F)ccc2o1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434019293 1094240615 /nfs/dbraw/zinc/24/06/15/1094240615.db2.gz XQTPRFBQMPYNPG-KKSFZXQISA-N 2 2 353.441 4.092 20 0 FIADLP C[NH+](Cc1cc2cc(F)ccc2o1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434019293 1094240619 /nfs/dbraw/zinc/24/06/19/1094240619.db2.gz XQTPRFBQMPYNPG-KKSFZXQISA-N 2 2 353.441 4.092 20 0 FIADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1OC ZINC000513702485 1094385846 /nfs/dbraw/zinc/38/58/46/1094385846.db2.gz JOITXOQGDCCFFL-INIZCTEOSA-N 2 2 351.450 4.049 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCC(=O)[C@@H]3CCCC[C@H]32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039654 1094450341 /nfs/dbraw/zinc/45/03/41/1094450341.db2.gz GVPCFRBIYXKXFT-HVYFLLBWSA-N 2 2 354.538 4.262 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCC(=O)[C@@H]3CCCC[C@H]32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039654 1094450345 /nfs/dbraw/zinc/45/03/45/1094450345.db2.gz GVPCFRBIYXKXFT-HVYFLLBWSA-N 2 2 354.538 4.262 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039654 1094450349 /nfs/dbraw/zinc/45/03/49/1094450349.db2.gz GVPCFRBIYXKXFT-HVYFLLBWSA-N 2 2 354.538 4.262 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039654 1094450354 /nfs/dbraw/zinc/45/03/54/1094450354.db2.gz GVPCFRBIYXKXFT-HVYFLLBWSA-N 2 2 354.538 4.262 20 0 FIADLP C[C@@H]1CC([N@@H+]2CCCC(F)(F)[C@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168042579 1094698699 /nfs/dbraw/zinc/69/86/99/1094698699.db2.gz ZSBJSFOBXGPSEP-GPMSIDNRSA-N 2 2 354.460 4.497 20 0 FIADLP C[C@@H]1CC([N@H+]2CCCC(F)(F)[C@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168042579 1094698701 /nfs/dbraw/zinc/69/87/01/1094698701.db2.gz ZSBJSFOBXGPSEP-GPMSIDNRSA-N 2 2 354.460 4.497 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000502054517 1095075316 /nfs/dbraw/zinc/07/53/16/1095075316.db2.gz SFYQLHDSFJDTRD-SOLBZPMBSA-N 2 2 355.551 4.193 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000502054517 1095075332 /nfs/dbraw/zinc/07/53/32/1095075332.db2.gz SFYQLHDSFJDTRD-SOLBZPMBSA-N 2 2 355.551 4.193 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc2cccc(F)c2o1 ZINC000420924683 1095166085 /nfs/dbraw/zinc/16/60/85/1095166085.db2.gz UFKQRBXQQDSNCG-INIZCTEOSA-N 2 2 368.452 4.255 20 0 FIADLP c1ccc(C2([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CCCC2)cc1 ZINC000420935947 1095177234 /nfs/dbraw/zinc/17/72/34/1095177234.db2.gz KDIVDTMOOLKLNK-UHFFFAOYSA-N 2 2 350.506 4.078 20 0 FIADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000420980644 1095207493 /nfs/dbraw/zinc/20/74/93/1095207493.db2.gz XEKSULCTIFEKKM-MOPGFXCFSA-N 2 2 370.459 4.072 20 0 FIADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000420980644 1095207498 /nfs/dbraw/zinc/20/74/98/1095207498.db2.gz XEKSULCTIFEKKM-MOPGFXCFSA-N 2 2 370.459 4.072 20 0 FIADLP Cc1cc(N2CC[C@H]([NH+]3CCCC3)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000522649542 1095216615 /nfs/dbraw/zinc/21/66/15/1095216615.db2.gz PDNSDZONRDRLRY-AWEZNQCLSA-N 2 2 365.399 4.116 20 0 FIADLP FC(F)C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000420990927 1095229522 /nfs/dbraw/zinc/22/95/22/1095229522.db2.gz HBWNNSLSGONHGV-HXUWFJFHSA-N 2 2 360.448 4.005 20 0 FIADLP Brc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502307386 1095354271 /nfs/dbraw/zinc/35/42/71/1095354271.db2.gz DFSHFZOTAIEEAA-INIZCTEOSA-N 2 2 374.326 4.362 20 0 FIADLP Brc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502307386 1095354292 /nfs/dbraw/zinc/35/42/92/1095354292.db2.gz DFSHFZOTAIEEAA-INIZCTEOSA-N 2 2 374.326 4.362 20 0 FIADLP CC(C)Cc1ncc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000502343552 1095379500 /nfs/dbraw/zinc/37/95/00/1095379500.db2.gz SKFDHVLFYWIMHY-MRXNPFEDSA-N 2 2 358.555 4.254 20 0 FIADLP CC(C)Cc1ncc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000502343552 1095379516 /nfs/dbraw/zinc/37/95/16/1095379516.db2.gz SKFDHVLFYWIMHY-MRXNPFEDSA-N 2 2 358.555 4.254 20 0 FIADLP COc1cccc(Cl)c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502327430 1095385012 /nfs/dbraw/zinc/38/50/12/1095385012.db2.gz RWLLYCRDMZMSOJ-HNNXBMFYSA-N 2 2 359.901 4.261 20 0 FIADLP Cc1noc(C2CCC([NH2+]CC[NH+]3CCC4(CCCCC4)CC3)CC2)n1 ZINC000330255184 1095437760 /nfs/dbraw/zinc/43/77/60/1095437760.db2.gz JUWCFESPGCCREM-UHFFFAOYSA-N 2 2 360.546 4.040 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cnn(C2CCCC2)c1 ZINC000502452293 1095473413 /nfs/dbraw/zinc/47/34/13/1095473413.db2.gz MQNABGFOLVBXET-QZTJIDSGSA-N 2 2 367.541 4.269 20 0 FIADLP Cc1c(Cl)c(C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)nn1C ZINC000421324161 1095523019 /nfs/dbraw/zinc/52/30/19/1095523019.db2.gz HXUFFQOWHKWKHO-IYBDPMFKSA-N 2 2 374.960 4.150 20 0 FIADLP Cc1c(Cl)c(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)nn1C ZINC000421324161 1095523030 /nfs/dbraw/zinc/52/30/30/1095523030.db2.gz HXUFFQOWHKWKHO-IYBDPMFKSA-N 2 2 374.960 4.150 20 0 FIADLP C[C@H](C[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1)Cn1cc[nH+]c1 ZINC000421326716 1095525671 /nfs/dbraw/zinc/52/56/71/1095525671.db2.gz OSCYMNGFOAFXOK-GOSISDBHSA-N 2 2 363.509 4.288 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3cccc(C4CC4)c3)C2)CC1 ZINC000421405401 1095604441 /nfs/dbraw/zinc/60/44/41/1095604441.db2.gz YWFDXWRVMVPLPJ-UHFFFAOYSA-N 2 2 352.444 4.459 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cnn(C2CCCC2)c1 ZINC000502699729 1095724282 /nfs/dbraw/zinc/72/42/82/1095724282.db2.gz ZKXWNPRVBSMNCD-LJQANCHMSA-N 2 2 366.553 4.356 20 0 FIADLP Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)oc1C ZINC000502724303 1095759801 /nfs/dbraw/zinc/75/98/01/1095759801.db2.gz PFAQWIQFUBZHOV-JKSUJKDBSA-N 2 2 359.489 4.199 20 0 FIADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000444164437 1095791831 /nfs/dbraw/zinc/79/18/31/1095791831.db2.gz FNLZDSCBPKDUIY-JOCHJYFZSA-N 2 2 365.521 4.245 20 0 FIADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000444164437 1095791845 /nfs/dbraw/zinc/79/18/45/1095791845.db2.gz FNLZDSCBPKDUIY-JOCHJYFZSA-N 2 2 365.521 4.245 20 0 FIADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000444164437 1095791857 /nfs/dbraw/zinc/79/18/57/1095791857.db2.gz FNLZDSCBPKDUIY-JOCHJYFZSA-N 2 2 365.521 4.245 20 0 FIADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000444164437 1095791865 /nfs/dbraw/zinc/79/18/65/1095791865.db2.gz FNLZDSCBPKDUIY-JOCHJYFZSA-N 2 2 365.521 4.245 20 0 FIADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000421819947 1095933213 /nfs/dbraw/zinc/93/32/13/1095933213.db2.gz JVWAGEZKACJVTQ-MRXNPFEDSA-N 2 2 371.887 4.487 20 0 FIADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421821581 1095934024 /nfs/dbraw/zinc/93/40/24/1095934024.db2.gz SDKXCCMOCOPOMS-MRXNPFEDSA-N 2 2 374.912 4.032 20 0 FIADLP COC1([C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCCCC1 ZINC000421863242 1095962031 /nfs/dbraw/zinc/96/20/31/1095962031.db2.gz YMDWEJIKTOKONF-ODIFPOPNSA-N 2 2 362.480 4.119 20 0 FIADLP C[C@H]([NH2+]C1(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CCOCC1)c1ccccc1 ZINC000503011210 1096001065 /nfs/dbraw/zinc/00/10/65/1096001065.db2.gz JGKXXYXZRAEWQX-AJSBUHFISA-N 2 2 364.533 4.280 20 0 FIADLP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503378227 1096378889 /nfs/dbraw/zinc/37/88/89/1096378889.db2.gz RYFKVYZMGSTYHK-LJQANCHMSA-N 2 2 353.510 4.095 20 0 FIADLP Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503378227 1096378901 /nfs/dbraw/zinc/37/89/01/1096378901.db2.gz RYFKVYZMGSTYHK-LJQANCHMSA-N 2 2 353.510 4.095 20 0 FIADLP Fc1ccccc1SCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380490 1096379692 /nfs/dbraw/zinc/37/96/92/1096379692.db2.gz ZQYMHCXPFXAGRH-INIZCTEOSA-N 2 2 359.514 4.330 20 0 FIADLP Fc1ccccc1SCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380490 1096379699 /nfs/dbraw/zinc/37/96/99/1096379699.db2.gz ZQYMHCXPFXAGRH-INIZCTEOSA-N 2 2 359.514 4.330 20 0 FIADLP C[NH2+]C1CC[NH+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)CC1 ZINC000414663687 1096381376 /nfs/dbraw/zinc/38/13/76/1096381376.db2.gz BTLZHYKPGAEJJL-UHFFFAOYSA-N 2 2 362.876 4.242 20 0 FIADLP COc1cccc(CCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503439071 1096401728 /nfs/dbraw/zinc/40/17/28/1096401728.db2.gz IUKSRSIJJSYWFZ-LJQANCHMSA-N 2 2 353.510 4.040 20 0 FIADLP COc1cccc(CCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503439071 1096401732 /nfs/dbraw/zinc/40/17/32/1096401732.db2.gz IUKSRSIJJSYWFZ-LJQANCHMSA-N 2 2 353.510 4.040 20 0 FIADLP c1sc(CCc2ccccc2)nc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422851124 1096504544 /nfs/dbraw/zinc/50/45/44/1096504544.db2.gz OLIFPPPKAKLFRH-NJDAHSKKSA-N 2 2 369.578 4.329 20 0 FIADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1csc(-c2ccccc2)n1 ZINC000423182787 1096595637 /nfs/dbraw/zinc/59/56/37/1096595637.db2.gz FMHOZDVRCSRFFZ-MRXNPFEDSA-N 2 2 352.507 4.036 20 0 FIADLP FC(F)Oc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2ccc(Cl)cc2)cc1 ZINC000423177066 1096604984 /nfs/dbraw/zinc/60/49/84/1096604984.db2.gz DQOLEWCKIBODKI-SFHVURJKSA-N 2 2 366.839 4.372 20 0 FIADLP Cc1ncoc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000894280429 1096634256 /nfs/dbraw/zinc/63/42/56/1096634256.db2.gz JHGFUEMKUBPUFA-QAPCUYQASA-N 2 2 367.415 4.175 20 0 FIADLP Cc1ncoc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000894280429 1096634262 /nfs/dbraw/zinc/63/42/62/1096634262.db2.gz JHGFUEMKUBPUFA-QAPCUYQASA-N 2 2 367.415 4.175 20 0 FIADLP C[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000532967819 1098635505 /nfs/dbraw/zinc/63/55/05/1098635505.db2.gz VLVMIJQRRTYVJL-HOTGVXAUSA-N 2 2 351.332 4.460 20 0 FIADLP C[C@@H](c1ccccc1Br)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000532967819 1098635509 /nfs/dbraw/zinc/63/55/09/1098635509.db2.gz VLVMIJQRRTYVJL-HOTGVXAUSA-N 2 2 351.332 4.460 20 0 FIADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)C1 ZINC000515492133 1098644586 /nfs/dbraw/zinc/64/45/86/1098644586.db2.gz VYUQEJFKBXLQSF-LJQANCHMSA-N 2 2 367.320 4.187 20 0 FIADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)C1 ZINC000515492133 1098644590 /nfs/dbraw/zinc/64/45/90/1098644590.db2.gz VYUQEJFKBXLQSF-LJQANCHMSA-N 2 2 367.320 4.187 20 0 FIADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)C1 ZINC000515492133 1098644594 /nfs/dbraw/zinc/64/45/94/1098644594.db2.gz VYUQEJFKBXLQSF-LJQANCHMSA-N 2 2 367.320 4.187 20 0 FIADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)C1 ZINC000515492133 1098644596 /nfs/dbraw/zinc/64/45/96/1098644596.db2.gz VYUQEJFKBXLQSF-LJQANCHMSA-N 2 2 367.320 4.187 20 0 FIADLP c1c[nH+]c(C2CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)CC2)[nH]1 ZINC000533347404 1098970132 /nfs/dbraw/zinc/97/01/32/1098970132.db2.gz VHANHYNTIGDPHZ-UHFFFAOYSA-N 2 2 357.461 4.104 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000455494604 1099257837 /nfs/dbraw/zinc/25/78/37/1099257837.db2.gz DWVFRNUHYNUKTP-MJGOQNOKSA-N 2 2 372.900 4.227 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000455494604 1099257851 /nfs/dbraw/zinc/25/78/51/1099257851.db2.gz DWVFRNUHYNUKTP-MJGOQNOKSA-N 2 2 372.900 4.227 20 0 FIADLP Cc1cc(C)c(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC000455508457 1099292549 /nfs/dbraw/zinc/29/25/49/1099292549.db2.gz ZYVIITJEOOURJJ-ZWKOTPCHSA-N 2 2 366.509 4.134 20 0 FIADLP Cc1cc(C)c(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC000455508457 1099292560 /nfs/dbraw/zinc/29/25/60/1099292560.db2.gz ZYVIITJEOOURJJ-ZWKOTPCHSA-N 2 2 366.509 4.134 20 0 FIADLP CSc1ccc([C@H](CNC(=O)Nc2c(C)cc(C)[nH+]c2C)[NH+](C)C)cc1 ZINC000455533230 1099307352 /nfs/dbraw/zinc/30/73/52/1099307352.db2.gz TZMBGWXVDZSJIO-SFHVURJKSA-N 2 2 372.538 4.153 20 0 FIADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1Cl ZINC000437007277 1099510332 /nfs/dbraw/zinc/51/03/32/1099510332.db2.gz JLNWXHUKCQFBCF-IUODEOHRSA-N 2 2 368.706 4.355 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCCc1ccccc1 ZINC000162456080 1099779726 /nfs/dbraw/zinc/77/97/26/1099779726.db2.gz SGQSGWPLVGDHCV-OFNKIYASSA-N 2 2 351.538 4.295 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCCc1ccccc1 ZINC000162456080 1099779734 /nfs/dbraw/zinc/77/97/34/1099779734.db2.gz SGQSGWPLVGDHCV-OFNKIYASSA-N 2 2 351.538 4.295 20 0 FIADLP CCCOc1c(Cl)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OCC ZINC000536663132 1100136190 /nfs/dbraw/zinc/13/61/90/1100136190.db2.gz YCXSXGBSFPFGJX-NVXWUHKLSA-N 2 2 368.949 4.442 20 0 FIADLP CCCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OCC ZINC000536663132 1100136200 /nfs/dbraw/zinc/13/62/00/1100136200.db2.gz YCXSXGBSFPFGJX-NVXWUHKLSA-N 2 2 368.949 4.442 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000536663132 1100136209 /nfs/dbraw/zinc/13/62/09/1100136209.db2.gz YCXSXGBSFPFGJX-NVXWUHKLSA-N 2 2 368.949 4.442 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000536663132 1100136218 /nfs/dbraw/zinc/13/62/18/1100136218.db2.gz YCXSXGBSFPFGJX-NVXWUHKLSA-N 2 2 368.949 4.442 20 0 FIADLP c1c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)noc1-c1ccccc1 ZINC000425931850 1100307094 /nfs/dbraw/zinc/30/70/94/1100307094.db2.gz NNPRXZZWAJYDFJ-ACIOBRDBSA-N 2 2 373.500 4.342 20 0 FIADLP c1c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)noc1-c1ccccc1 ZINC000425931850 1100307103 /nfs/dbraw/zinc/30/71/03/1100307103.db2.gz NNPRXZZWAJYDFJ-ACIOBRDBSA-N 2 2 373.500 4.342 20 0 FIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cnn(C(C)C)c2)c(C)c1 ZINC000536841331 1100354059 /nfs/dbraw/zinc/35/40/59/1100354059.db2.gz XSABBJOECUVUPB-GHTZIAJQSA-N 2 2 351.498 4.369 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@H](c4ccccc4)C3)[nH+]c2)CC1 ZINC000438188357 1100501932 /nfs/dbraw/zinc/50/19/32/1100501932.db2.gz KDGXIHBJUNHSAP-VQTJNVASSA-N 2 2 364.537 4.360 20 0 FIADLP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)oc2c1 ZINC000426032981 1100699986 /nfs/dbraw/zinc/69/99/86/1100699986.db2.gz AGLQKTVLCVNCCV-JPYJTQIMSA-N 2 2 364.489 4.029 20 0 FIADLP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)oc2c1 ZINC000426032981 1100699996 /nfs/dbraw/zinc/69/99/96/1100699996.db2.gz AGLQKTVLCVNCCV-JPYJTQIMSA-N 2 2 364.489 4.029 20 0 FIADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414948152 1100900418 /nfs/dbraw/zinc/90/04/18/1100900418.db2.gz XTYORKVGYCBRFH-VGOFRKELSA-N 2 2 361.489 4.155 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506386964 1100955672 /nfs/dbraw/zinc/95/56/72/1100955672.db2.gz QOXZBMUVAIOUFN-UHFFFAOYSA-N 2 2 374.960 4.447 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506386964 1100955677 /nfs/dbraw/zinc/95/56/77/1100955677.db2.gz QOXZBMUVAIOUFN-UHFFFAOYSA-N 2 2 374.960 4.447 20 0 FIADLP Cc1ccc(Br)cc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000438905061 1101016713 /nfs/dbraw/zinc/01/67/13/1101016713.db2.gz OZGKFQSPWYGEIH-UHFFFAOYSA-N 2 2 362.296 4.295 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)cc1F ZINC000518412760 1101178636 /nfs/dbraw/zinc/17/86/36/1101178636.db2.gz PLUGIDGQPWPELQ-HXUWFJFHSA-N 2 2 367.472 4.454 20 0 FIADLP Cc1nc2ccc(C[N@H+](C)C[C@@H]3CC[NH+](C)[C@H]3c3cccnc3)cc2s1 ZINC000426354921 1101353472 /nfs/dbraw/zinc/35/34/72/1101353472.db2.gz WSSXVEXDBLLLHX-RXVVDRJESA-N 2 2 366.534 4.125 20 0 FIADLP Cc1nc2ccc(C[N@@H+](C)C[C@@H]3CC[NH+](C)[C@H]3c3cccnc3)cc2s1 ZINC000426354921 1101353486 /nfs/dbraw/zinc/35/34/86/1101353486.db2.gz WSSXVEXDBLLLHX-RXVVDRJESA-N 2 2 366.534 4.125 20 0 FIADLP Cc1nc2ccc(C[NH+](C)C[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)cc2s1 ZINC000426354921 1101353502 /nfs/dbraw/zinc/35/35/02/1101353502.db2.gz WSSXVEXDBLLLHX-RXVVDRJESA-N 2 2 366.534 4.125 20 0 FIADLP Cc1nc2ccc(C[NH+](C)C[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)cc2s1 ZINC000426354921 1101353513 /nfs/dbraw/zinc/35/35/13/1101353513.db2.gz WSSXVEXDBLLLHX-RXVVDRJESA-N 2 2 366.534 4.125 20 0 FIADLP CC(C)(C)c1cnc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000414997053 1101386387 /nfs/dbraw/zinc/38/63/87/1101386387.db2.gz HAYFPNMRRQUNRO-DOTOQJQBSA-N 2 2 361.530 4.063 20 0 FIADLP COc1ccccc1C1([NH3+])CC[NH+]([C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168169899 1101877053 /nfs/dbraw/zinc/87/70/53/1101877053.db2.gz XWFJUVGFTHIBPG-INIZCTEOSA-N 2 2 358.913 4.230 20 0 FIADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)Cc1ccc(Cl)cc1)[C@H]2C ZINC001168176678 1101987459 /nfs/dbraw/zinc/98/74/59/1101987459.db2.gz HYERJXUBAPWJOU-IRXDYDNUSA-N 2 2 374.960 4.385 20 0 FIADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)Cc1ccc(Cl)cc1)[C@H]2C ZINC001168176678 1101987462 /nfs/dbraw/zinc/98/74/62/1101987462.db2.gz HYERJXUBAPWJOU-IRXDYDNUSA-N 2 2 374.960 4.385 20 0 FIADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H](C)Cc1ccc(Cl)cc1)[C@H]2C ZINC001168176678 1101987463 /nfs/dbraw/zinc/98/74/63/1101987463.db2.gz HYERJXUBAPWJOU-IRXDYDNUSA-N 2 2 374.960 4.385 20 0 FIADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccc(Cl)cc1)[C@H]2C ZINC001168176678 1101987468 /nfs/dbraw/zinc/98/74/68/1101987468.db2.gz HYERJXUBAPWJOU-IRXDYDNUSA-N 2 2 374.960 4.385 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(OC)cc1 ZINC000090667235 1102305996 /nfs/dbraw/zinc/30/59/96/1102305996.db2.gz KVSZWBIZYJWANH-JTSKRJEESA-N 2 2 353.510 4.357 20 0 FIADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000121896397 1102494912 /nfs/dbraw/zinc/49/49/12/1102494912.db2.gz YMWNCACQDWNZSD-SFHVURJKSA-N 2 2 359.901 4.227 20 0 FIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc2c(Br)cccc12 ZINC000429331896 1102666412 /nfs/dbraw/zinc/66/64/12/1102666412.db2.gz WEFRFHNKZLOAPT-UHFFFAOYSA-N 2 2 358.283 4.321 20 0 FIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc2c(Br)cccc12 ZINC000429331896 1102666424 /nfs/dbraw/zinc/66/64/24/1102666424.db2.gz WEFRFHNKZLOAPT-UHFFFAOYSA-N 2 2 358.283 4.321 20 0 FIADLP COc1cccc2c(NC3CC[NH+](Cc4ccccn4)CC3)cc(C)[nH+]c12 ZINC000121566402 1102717325 /nfs/dbraw/zinc/71/73/25/1102717325.db2.gz ZUYIGGBSMSTFHR-UHFFFAOYSA-N 2 2 362.477 4.023 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)o2)CC[N@@H+]1Cc1ccccc1 ZINC000188739775 1102792766 /nfs/dbraw/zinc/79/27/66/1102792766.db2.gz KGCJMLIZKBWRFN-GDBMZVCRSA-N 2 2 363.299 4.185 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)o2)CC[N@H+]1Cc1ccccc1 ZINC000188739775 1102792779 /nfs/dbraw/zinc/79/27/79/1102792779.db2.gz KGCJMLIZKBWRFN-GDBMZVCRSA-N 2 2 363.299 4.185 20 0 FIADLP c1ccc(C[NH+](Cc2ccccn2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167983811 1102909833 /nfs/dbraw/zinc/90/98/33/1102909833.db2.gz IGKCCIWETUPZDK-VSGJHWFKSA-N 2 2 361.533 4.489 20 0 FIADLP c1ccc(C[NH+](Cc2ccccn2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167983811 1102909837 /nfs/dbraw/zinc/90/98/37/1102909837.db2.gz IGKCCIWETUPZDK-VSGJHWFKSA-N 2 2 361.533 4.489 20 0 FIADLP c1ccc(C[N@H+](Cc2ccccn2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167983811 1102909849 /nfs/dbraw/zinc/90/98/49/1102909849.db2.gz IGKCCIWETUPZDK-VSGJHWFKSA-N 2 2 361.533 4.489 20 0 FIADLP c1ccc(C[N@@H+](Cc2ccccn2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167983811 1102909852 /nfs/dbraw/zinc/90/98/52/1102909852.db2.gz IGKCCIWETUPZDK-VSGJHWFKSA-N 2 2 361.533 4.489 20 0 FIADLP COc1cc(Cl)c(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000532827771 1103244008 /nfs/dbraw/zinc/24/40/08/1103244008.db2.gz ANRFWLRVURZRFD-LBPRGKRZSA-N 2 2 354.281 4.174 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c(Cl)cccc1N1CCCC1)CCC2 ZINC000537775159 1103942056 /nfs/dbraw/zinc/94/20/56/1103942056.db2.gz XHAULZAOSPBLNS-INIZCTEOSA-N 2 2 358.917 4.112 20 0 FIADLP Cc1ccc2cc(C[NH2+]CCc3[nH+]ccn3Cc3ccccc3)ccc2n1 ZINC000189247309 1104795125 /nfs/dbraw/zinc/79/51/25/1104795125.db2.gz KZNQCUJFAGXBMS-UHFFFAOYSA-N 2 2 356.473 4.120 20 0 FIADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cc(C)cc(F)c1)CC2 ZINC001143584854 1104797037 /nfs/dbraw/zinc/79/70/37/1104797037.db2.gz ANEIHDSIWDTDJD-UHFFFAOYSA-N 2 2 371.500 4.370 20 0 FIADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cc(C)cc(F)c1)CC2 ZINC001143584854 1104797040 /nfs/dbraw/zinc/79/70/40/1104797040.db2.gz ANEIHDSIWDTDJD-UHFFFAOYSA-N 2 2 371.500 4.370 20 0 FIADLP COc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1OC ZINC001168007380 1105131516 /nfs/dbraw/zinc/13/15/16/1105131516.db2.gz RUFQYIYILNSQFL-RMFSNUHRSA-N 2 2 368.521 4.235 20 0 FIADLP COc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1OC ZINC001168007380 1105131520 /nfs/dbraw/zinc/13/15/20/1105131520.db2.gz RUFQYIYILNSQFL-RMFSNUHRSA-N 2 2 368.521 4.235 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](CCC[NH3+])C2CCCCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168007999 1105151662 /nfs/dbraw/zinc/15/16/62/1105151662.db2.gz CBOQXHDJVIYEQE-JHDGKUDLSA-N 3 2 357.586 4.412 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](CCC[NH3+])C2CCCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168007999 1105151665 /nfs/dbraw/zinc/15/16/65/1105151665.db2.gz CBOQXHDJVIYEQE-JHDGKUDLSA-N 3 2 357.586 4.412 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](CCC[NH3+])C2CCCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168007999 1105151670 /nfs/dbraw/zinc/15/16/70/1105151670.db2.gz CBOQXHDJVIYEQE-JHDGKUDLSA-N 3 2 357.586 4.412 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168007999 1105151676 /nfs/dbraw/zinc/15/16/76/1105151676.db2.gz CBOQXHDJVIYEQE-JHDGKUDLSA-N 3 2 357.586 4.412 20 0 FIADLP [NH3+][C@H]1CC[C@H](N(Cc2cnc(-c3ccco3)s2)c2cccc[nH+]2)CC1 ZINC000895112843 1105157623 /nfs/dbraw/zinc/15/76/23/1105157623.db2.gz SIDFEZZIIGQRDL-SHTZXODSSA-N 2 2 354.479 4.075 20 0 FIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427843750 1105293136 /nfs/dbraw/zinc/29/31/36/1105293136.db2.gz MYFRWTHNVPDMIX-YOEHRIQHSA-N 2 2 352.507 4.289 20 0 FIADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2cc(Br)ccc2o1 ZINC000427845504 1105293601 /nfs/dbraw/zinc/29/36/01/1105293601.db2.gz FKORHFBEFUCXRW-RISCZKNCSA-N 2 2 360.255 4.057 20 0 FIADLP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427876393 1105299905 /nfs/dbraw/zinc/29/99/05/1105299905.db2.gz MHHMRUQDSJHTRM-SMDDNHRTSA-N 2 2 352.265 4.008 20 0 FIADLP Fc1cccc(C[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccc(F)c2)c1 ZINC000427870482 1105305931 /nfs/dbraw/zinc/30/59/31/1105305931.db2.gz VCORVAZFWUBJQF-VQTJNVASSA-N 2 2 353.416 4.050 20 0 FIADLP Fc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2Cl)cc1 ZINC000427882709 1105309679 /nfs/dbraw/zinc/30/96/79/1105309679.db2.gz AMAYWIWNGSAAQK-JXFKEZNVSA-N 2 2 355.844 4.370 20 0 FIADLP FC(F)Oc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427886873 1105310920 /nfs/dbraw/zinc/31/09/20/1105310920.db2.gz NXOATZZNDOVFKR-FXAWDEMLSA-N 2 2 369.415 4.179 20 0 FIADLP C[C@@]1(C[NH2+]C2CCC3(CCOCC3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000427895302 1105312433 /nfs/dbraw/zinc/31/24/33/1105312433.db2.gz SLSGQVDSSMZHKL-QFIPXVFZSA-N 2 2 356.554 4.370 20 0 FIADLP C[C@@]1(C[NH2+]C2CCC3(CCOCC3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000427895302 1105312439 /nfs/dbraw/zinc/31/24/39/1105312439.db2.gz SLSGQVDSSMZHKL-QFIPXVFZSA-N 2 2 356.554 4.370 20 0 FIADLP FC(F)c1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390655223 1106737399 /nfs/dbraw/zinc/73/73/99/1106737399.db2.gz OLOYVEMOGOYVLX-FQEVSTJZSA-N 2 2 360.448 4.005 20 0 FIADLP FC(F)c1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390655223 1106737406 /nfs/dbraw/zinc/73/74/06/1106737406.db2.gz OLOYVEMOGOYVLX-FQEVSTJZSA-N 2 2 360.448 4.005 20 0 FIADLP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)s1 ZINC000390614492 1106737662 /nfs/dbraw/zinc/73/76/62/1106737662.db2.gz XSLLDLRIDZTBCF-PXNSSMCTSA-N 2 2 358.551 4.307 20 0 FIADLP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)s1 ZINC000390614492 1106737672 /nfs/dbraw/zinc/73/76/72/1106737672.db2.gz XSLLDLRIDZTBCF-PXNSSMCTSA-N 2 2 358.551 4.307 20 0 FIADLP Fc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CC[NH2+]C24CCC4)CCC3)cc1 ZINC000530221213 1106915423 /nfs/dbraw/zinc/91/54/23/1106915423.db2.gz OTXDQXPUBXJOBP-WBVHZDCISA-N 2 2 357.498 4.201 20 0 FIADLP CC(C)(C)n1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c(-c2ccccc2Cl)n1 ZINC000530245112 1106924729 /nfs/dbraw/zinc/92/47/29/1106924729.db2.gz UHOPKULTZBOMEJ-SFHVURJKSA-N 2 2 372.944 4.333 20 0 FIADLP Cc1sc(C(C)(C)[NH2+]CCCn2cc[nH+]c2)nc1-c1ccccc1F ZINC000451165425 1106955059 /nfs/dbraw/zinc/95/50/59/1106955059.db2.gz KZRQPPZGOBXXKZ-UHFFFAOYSA-N 2 2 358.486 4.369 20 0 FIADLP COc1ccc(C[N@@H+]2CCCN(c3cc[nH+]c4ccsc43)CC2)cc1 ZINC000301336829 1106996372 /nfs/dbraw/zinc/99/63/72/1106996372.db2.gz DGFPIDDUYPZJKR-UHFFFAOYSA-N 2 2 353.491 4.017 20 0 FIADLP COc1ccc(C[N@H+]2CCCN(c3cc[nH+]c4ccsc43)CC2)cc1 ZINC000301336829 1106996375 /nfs/dbraw/zinc/99/63/75/1106996375.db2.gz DGFPIDDUYPZJKR-UHFFFAOYSA-N 2 2 353.491 4.017 20 0 FIADLP C[N@@H+]1CCC[C@@H](CNc2cc(N3CCCCC3)[nH+]cn2)[C@H]1c1cccs1 ZINC000301426681 1107026409 /nfs/dbraw/zinc/02/64/09/1107026409.db2.gz PDHVRBBPWGSWLQ-JXFKEZNVSA-N 2 2 371.554 4.023 20 0 FIADLP C[N@H+]1CCC[C@@H](CNc2cc(N3CCCCC3)[nH+]cn2)[C@H]1c1cccs1 ZINC000301426681 1107026422 /nfs/dbraw/zinc/02/64/22/1107026422.db2.gz PDHVRBBPWGSWLQ-JXFKEZNVSA-N 2 2 371.554 4.023 20 0 FIADLP C[N@@H+]1CCC[C@@H](CNc2cc(N3CCCCC3)nc[nH+]2)[C@H]1c1cccs1 ZINC000301426681 1107026435 /nfs/dbraw/zinc/02/64/35/1107026435.db2.gz PDHVRBBPWGSWLQ-JXFKEZNVSA-N 2 2 371.554 4.023 20 0 FIADLP C[N@H+]1CCC[C@@H](CNc2cc(N3CCCCC3)nc[nH+]2)[C@H]1c1cccs1 ZINC000301426681 1107026455 /nfs/dbraw/zinc/02/64/55/1107026455.db2.gz PDHVRBBPWGSWLQ-JXFKEZNVSA-N 2 2 371.554 4.023 20 0 FIADLP Cc1cc(N2CCC(Nc3cc[nH+]c4ccc(Cl)cc34)CC2)nc(C)[nH+]1 ZINC000301578555 1107076906 /nfs/dbraw/zinc/07/69/06/1107076906.db2.gz UCZDVBDALBKPAQ-UHFFFAOYSA-N 2 2 367.884 4.376 20 0 FIADLP COc1ccc([C@@H](C[NH+]2CCCC2)Nc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC000302149728 1107319446 /nfs/dbraw/zinc/31/94/46/1107319446.db2.gz SUMMBDZCCCFUTK-LJQANCHMSA-N 2 2 354.498 4.166 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cn1 ZINC000475510252 1107602717 /nfs/dbraw/zinc/60/27/17/1107602717.db2.gz NDSATTVRESSIHI-HNNXBMFYSA-N 2 2 374.326 4.159 20 0 FIADLP CCOc1ccccc1[C@H](CC(C)C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655719398 1107707694 /nfs/dbraw/zinc/70/76/94/1107707694.db2.gz SOMGNARIBPRPCI-FPOVZHCZSA-N 2 2 360.542 4.015 20 0 FIADLP Clc1cc(Cl)c2c(c1)C=C(C[NH2+]C1CC([NH+]3CCCCC3)C1)CO2 ZINC000475561909 1107736322 /nfs/dbraw/zinc/73/63/22/1107736322.db2.gz ROSWNPOBAJPQFB-UHFFFAOYSA-N 2 2 367.320 4.376 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[N@@H+]1C ZINC000531378940 1107799739 /nfs/dbraw/zinc/79/97/39/1107799739.db2.gz WBAUKFNXRJZZPK-XXBNENTESA-N 2 2 374.532 4.454 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[N@H+]1C ZINC000531378940 1107799756 /nfs/dbraw/zinc/79/97/56/1107799756.db2.gz WBAUKFNXRJZZPK-XXBNENTESA-N 2 2 374.532 4.454 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[NH+]1C ZINC000531378940 1107799772 /nfs/dbraw/zinc/79/97/72/1107799772.db2.gz WBAUKFNXRJZZPK-XXBNENTESA-N 2 2 374.532 4.454 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[NH+]1C ZINC000531378940 1107799787 /nfs/dbraw/zinc/79/97/87/1107799787.db2.gz WBAUKFNXRJZZPK-XXBNENTESA-N 2 2 374.532 4.454 20 0 FIADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000531735734 1108104889 /nfs/dbraw/zinc/10/48/89/1108104889.db2.gz WQGYSGNTMVLRAX-ISTVAULSSA-N 2 2 367.267 4.413 20 0 FIADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000531735734 1108104894 /nfs/dbraw/zinc/10/48/94/1108104894.db2.gz WQGYSGNTMVLRAX-ISTVAULSSA-N 2 2 367.267 4.413 20 0 FIADLP Cn1ccnc1[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000453060312 1108137305 /nfs/dbraw/zinc/13/73/05/1108137305.db2.gz CAYYTWHOKRGHBN-HXUWFJFHSA-N 2 2 368.912 4.014 20 0 FIADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000453224985 1108296593 /nfs/dbraw/zinc/29/65/93/1108296593.db2.gz CNQWBXUDWUCPAL-QGZVFWFLSA-N 2 2 371.843 4.451 20 0 FIADLP Cc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)CC2)c(C)c1 ZINC000453238694 1108315476 /nfs/dbraw/zinc/31/54/76/1108315476.db2.gz AGCHDRNOALSXDQ-NZQKXSOJSA-N 2 2 363.549 4.230 20 0 FIADLP Cc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)CC2)c(C)c1 ZINC000453238694 1108315488 /nfs/dbraw/zinc/31/54/88/1108315488.db2.gz AGCHDRNOALSXDQ-NZQKXSOJSA-N 2 2 363.549 4.230 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000453263034 1108335587 /nfs/dbraw/zinc/33/55/87/1108335587.db2.gz YJVAKJLDRWHCLO-GOEBONIOSA-N 2 2 360.299 4.087 20 0 FIADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2Br)CC1 ZINC000531944152 1108388585 /nfs/dbraw/zinc/38/85/85/1108388585.db2.gz XLRDYBDKIGFIPX-CYBMUJFWSA-N 2 2 357.311 4.359 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3cccs3)CC2)cc1 ZINC000453319604 1108408390 /nfs/dbraw/zinc/40/83/90/1108408390.db2.gz DKUALSFXCARTFG-HNNXBMFYSA-N 2 2 357.523 4.022 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3ccccc3C)CC2)cc1 ZINC000453318775 1108410365 /nfs/dbraw/zinc/41/03/65/1108410365.db2.gz CDUATQSJODHOMH-GOSISDBHSA-N 2 2 365.521 4.269 20 0 FIADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000531938866 1108411270 /nfs/dbraw/zinc/41/12/70/1108411270.db2.gz KXMCRDQXYOYTOI-QFIPXVFZSA-N 2 2 367.468 4.385 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3cccc(C)c3)CC2)cc1 ZINC000453321359 1108411496 /nfs/dbraw/zinc/41/14/96/1108411496.db2.gz GVTHUZZTFYTKTG-GOSISDBHSA-N 2 2 365.521 4.269 20 0 FIADLP CC(C)C[C@@H](C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[NH+](C)C ZINC000531946402 1108424405 /nfs/dbraw/zinc/42/44/05/1108424405.db2.gz LJQGKKNRNLJVPL-KRWDZBQOSA-N 2 2 369.956 4.009 20 0 FIADLP CCC[C@@H](C)[C@H](CC)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453332793 1108424549 /nfs/dbraw/zinc/42/45/49/1108424549.db2.gz VPOUQTGDTXHJJD-VGSWGCGISA-N 2 2 359.558 4.414 20 0 FIADLP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CCCO2 ZINC000532195480 1108702988 /nfs/dbraw/zinc/70/29/88/1108702988.db2.gz MMIJLVOBFSSNRO-JOCHJYFZSA-N 2 2 368.496 4.336 20 0 FIADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CSc4ccccc43)CC2)cc1 ZINC000532223122 1108720949 /nfs/dbraw/zinc/72/09/49/1108720949.db2.gz QXYAAUODKZTWIH-HXUWFJFHSA-N 2 2 356.510 4.269 20 0 FIADLP FC(F)(F)CCC(CCC(F)(F)F)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000925173845 1109003672 /nfs/dbraw/zinc/00/36/72/1109003672.db2.gz ZZHFYZPXTVTSOV-LLVKDONJSA-N 2 2 357.342 4.404 20 0 FIADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000446745915 1109327043 /nfs/dbraw/zinc/32/70/43/1109327043.db2.gz VIUOHUBLKUFMMQ-HSZRJFAPSA-N 2 2 363.505 4.262 20 0 FIADLP COc1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1OC(C)C ZINC000447066788 1109429009 /nfs/dbraw/zinc/42/90/09/1109429009.db2.gz HICAJCLSLSGYHF-UHFFFAOYSA-N 2 2 370.493 4.229 20 0 FIADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)c(Cl)c1 ZINC000448021943 1109695537 /nfs/dbraw/zinc/69/55/37/1109695537.db2.gz LQKFDJYYTVLQEV-MAUKXSAKSA-N 2 2 365.949 4.076 20 0 FIADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)c(Cl)c1 ZINC000448021943 1109695540 /nfs/dbraw/zinc/69/55/40/1109695540.db2.gz LQKFDJYYTVLQEV-MAUKXSAKSA-N 2 2 365.949 4.076 20 0 FIADLP Cc1ccc(-c2nc(C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cs2)o1 ZINC000544421648 1109779944 /nfs/dbraw/zinc/77/99/44/1109779944.db2.gz NDCVVINHRSWLJO-HZPDHXFCSA-N 2 2 359.539 4.454 20 0 FIADLP Cc1ccc(-c2nc(C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cs2)o1 ZINC000544421648 1109779947 /nfs/dbraw/zinc/77/99/47/1109779947.db2.gz NDCVVINHRSWLJO-HZPDHXFCSA-N 2 2 359.539 4.454 20 0 FIADLP FC(F)(F)c1sccc1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000527636968 1109791737 /nfs/dbraw/zinc/79/17/37/1109791737.db2.gz SPLJTTKDENWXGX-UHFFFAOYSA-N 2 2 365.424 4.344 20 0 FIADLP CC(C)Oc1cc(Cl)c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000527710925 1109815148 /nfs/dbraw/zinc/81/51/48/1109815148.db2.gz MHAYWKDNYYGRPX-GFCCVEGCSA-N 2 2 354.281 4.151 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc(-c2ccccc2)n(C)n1 ZINC000527868390 1109844175 /nfs/dbraw/zinc/84/41/75/1109844175.db2.gz UAIYNKXZOLNXBZ-MRXNPFEDSA-N 2 2 366.484 4.139 20 0 FIADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528011462 1109885290 /nfs/dbraw/zinc/88/52/90/1109885290.db2.gz LJDLWKYTZCRYBT-UTKZUKDTSA-N 2 2 372.557 4.228 20 0 FIADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528011462 1109885293 /nfs/dbraw/zinc/88/52/93/1109885293.db2.gz LJDLWKYTZCRYBT-UTKZUKDTSA-N 2 2 372.557 4.228 20 0 FIADLP Brc1cccc2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)ccnc12 ZINC000449015419 1109954527 /nfs/dbraw/zinc/95/45/27/1109954527.db2.gz BWGXXLOEJOJALK-UHFFFAOYSA-N 2 2 371.282 4.031 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(CCc3ccccc3)s2)C[C@@H]1C ZINC000449029997 1109960036 /nfs/dbraw/zinc/96/00/36/1109960036.db2.gz QGNMZMUOJHHIKG-PKOBYXMFSA-N 2 2 357.567 4.233 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(CCc3ccccc3)s2)C[C@@H]1C ZINC000449029997 1109960037 /nfs/dbraw/zinc/96/00/37/1109960037.db2.gz QGNMZMUOJHHIKG-PKOBYXMFSA-N 2 2 357.567 4.233 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(CCc3ccccc3)s2)C[C@@H]1C ZINC000449029997 1109960039 /nfs/dbraw/zinc/96/00/39/1109960039.db2.gz QGNMZMUOJHHIKG-PKOBYXMFSA-N 2 2 357.567 4.233 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(CCc3ccccc3)s2)C[C@@H]1C ZINC000449029997 1109960040 /nfs/dbraw/zinc/96/00/40/1109960040.db2.gz QGNMZMUOJHHIKG-PKOBYXMFSA-N 2 2 357.567 4.233 20 0 FIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449035129 1109961278 /nfs/dbraw/zinc/96/12/78/1109961278.db2.gz FRJWCTJFBSDOLZ-INIZCTEOSA-N 2 2 359.514 4.113 20 0 FIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449035129 1109961281 /nfs/dbraw/zinc/96/12/81/1109961281.db2.gz FRJWCTJFBSDOLZ-INIZCTEOSA-N 2 2 359.514 4.113 20 0 FIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449035129 1109961283 /nfs/dbraw/zinc/96/12/83/1109961283.db2.gz FRJWCTJFBSDOLZ-INIZCTEOSA-N 2 2 359.514 4.113 20 0 FIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449035129 1109961284 /nfs/dbraw/zinc/96/12/84/1109961284.db2.gz FRJWCTJFBSDOLZ-INIZCTEOSA-N 2 2 359.514 4.113 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC[N@@H+]1C ZINC000449025239 1109964548 /nfs/dbraw/zinc/96/45/48/1109964548.db2.gz AWRKGINOTAPCKW-OLZOCXBDSA-N 2 2 351.466 4.003 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC[N@H+]1C ZINC000449025239 1109964551 /nfs/dbraw/zinc/96/45/51/1109964551.db2.gz AWRKGINOTAPCKW-OLZOCXBDSA-N 2 2 351.466 4.003 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC[NH+]1C ZINC000449025239 1109964554 /nfs/dbraw/zinc/96/45/54/1109964554.db2.gz AWRKGINOTAPCKW-OLZOCXBDSA-N 2 2 351.466 4.003 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC[NH+]1C ZINC000449025239 1109964556 /nfs/dbraw/zinc/96/45/56/1109964556.db2.gz AWRKGINOTAPCKW-OLZOCXBDSA-N 2 2 351.466 4.003 20 0 FIADLP Fc1cccc(F)c1-c1ncc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000449046289 1109966764 /nfs/dbraw/zinc/96/67/64/1109966764.db2.gz KQLACBBNHWWVHQ-AWEZNQCLSA-N 2 2 373.428 4.137 20 0 FIADLP Fc1cccc(F)c1-c1ncc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000449046289 1109966768 /nfs/dbraw/zinc/96/67/68/1109966768.db2.gz KQLACBBNHWWVHQ-AWEZNQCLSA-N 2 2 373.428 4.137 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1c(C)noc1C ZINC000449217385 1109999446 /nfs/dbraw/zinc/99/94/46/1109999446.db2.gz YVOSTITVVDSQAN-HRAATJIYSA-N 2 2 355.526 4.428 20 0 FIADLP COCC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1ccco1 ZINC000449229886 1110003495 /nfs/dbraw/zinc/00/34/95/1110003495.db2.gz FTXWZGUJXFTFOP-GHTZIAJQSA-N 2 2 356.510 4.042 20 0 FIADLP COc1cccc2c(C[N@@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)cccc12 ZINC000449262838 1110019014 /nfs/dbraw/zinc/01/90/14/1110019014.db2.gz ISDICGIVZKZYLO-SFHVURJKSA-N 2 2 361.489 4.371 20 0 FIADLP COc1cccc2c(C[N@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)cccc12 ZINC000449262838 1110019017 /nfs/dbraw/zinc/01/90/17/1110019017.db2.gz ISDICGIVZKZYLO-SFHVURJKSA-N 2 2 361.489 4.371 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C3CCC(C(C)C)CC3)CC2)cc1 ZINC000449518796 1110097270 /nfs/dbraw/zinc/09/72/70/1110097270.db2.gz AGGRNKGUSDORDZ-UHFFFAOYSA-N 2 2 371.569 4.414 20 0 FIADLP CCCC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449520445 1110097944 /nfs/dbraw/zinc/09/79/44/1110097944.db2.gz DRRCAFWOZCNAJK-ZWKOTPCHSA-N 2 2 359.558 4.414 20 0 FIADLP CC[C@H](C)C[C@H](CC)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449524482 1110098771 /nfs/dbraw/zinc/09/87/71/1110098771.db2.gz OEHVEFRCKVCYCC-PXNSSMCTSA-N 2 2 359.558 4.414 20 0 FIADLP CC[C@@H](C)C[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449524484 1110098955 /nfs/dbraw/zinc/09/89/55/1110098955.db2.gz OEHVEFRCKVCYCC-YLJYHZDGSA-N 2 2 359.558 4.414 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC[C@H]3C3CC3)CC2)cc1 ZINC000449525414 1110099573 /nfs/dbraw/zinc/09/95/73/1110099573.db2.gz RWWVYUTVIZDZOL-GOTSBHOMSA-N 2 2 369.553 4.168 20 0 FIADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H](c3ccccc3)C3CC3)C2)cc1 ZINC000390516507 1110336781 /nfs/dbraw/zinc/33/67/81/1110336781.db2.gz APANRSUQIRRRAT-PKTZIBPZSA-N 2 2 350.506 4.018 20 0 FIADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H](c3ccccc3)C3CC3)C2)cc1 ZINC000390516507 1110336783 /nfs/dbraw/zinc/33/67/83/1110336783.db2.gz APANRSUQIRRRAT-PKTZIBPZSA-N 2 2 350.506 4.018 20 0 FIADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@@H](c3ccccc3)C3CC3)C2)cc1 ZINC000390516505 1110336830 /nfs/dbraw/zinc/33/68/30/1110336830.db2.gz APANRSUQIRRRAT-GOTSBHOMSA-N 2 2 350.506 4.018 20 0 FIADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@@H](c3ccccc3)C3CC3)C2)cc1 ZINC000390516505 1110336831 /nfs/dbraw/zinc/33/68/31/1110336831.db2.gz APANRSUQIRRRAT-GOTSBHOMSA-N 2 2 350.506 4.018 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000538395669 1111123026 /nfs/dbraw/zinc/12/30/26/1111123026.db2.gz JGYNVPGZBKHDHD-HUUCEWRRSA-N 2 2 369.347 4.229 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(Br)c1 ZINC000538395669 1111123029 /nfs/dbraw/zinc/12/30/29/1111123029.db2.gz JGYNVPGZBKHDHD-HUUCEWRRSA-N 2 2 369.347 4.229 20 0 FIADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C12CCCCC2 ZINC000538397743 1111123407 /nfs/dbraw/zinc/12/34/07/1111123407.db2.gz AWVOEBRBNRSCFX-NHCUHLMSSA-N 2 2 353.510 4.149 20 0 FIADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)c(F)c1 ZINC000538556630 1111192789 /nfs/dbraw/zinc/19/27/89/1111192789.db2.gz DWVWWRVQRKDFLI-CJNGLKHVSA-N 2 2 362.880 4.188 20 0 FIADLP C[C@H](CCc1ccccc1F)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538590127 1111211252 /nfs/dbraw/zinc/21/12/52/1111211252.db2.gz GXQXIQCLBAYPQO-QGZVFWFLSA-N 2 2 370.516 4.184 20 0 FIADLP Cc1cccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1C ZINC000538590129 1111211529 /nfs/dbraw/zinc/21/15/29/1111211529.db2.gz HEHKGFQJLDFTTQ-SFHVURJKSA-N 2 2 352.526 4.402 20 0 FIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)o1 ZINC000538850038 1111318631 /nfs/dbraw/zinc/31/86/31/1111318631.db2.gz IUUCYBAVOZUKRJ-WBVHZDCISA-N 2 2 373.928 4.098 20 0 FIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@H]3CCCOCC3)cc2)c[nH+]1 ZINC000538869885 1111329091 /nfs/dbraw/zinc/32/90/91/1111329091.db2.gz VGOGPNCDSKBBKM-QFIPXVFZSA-N 2 2 361.489 4.257 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1 ZINC000539087264 1111426142 /nfs/dbraw/zinc/42/61/42/1111426142.db2.gz RMXNQEIITNCIRL-WTNAPCKOSA-N 2 2 356.485 4.156 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1 ZINC000539087264 1111426143 /nfs/dbraw/zinc/42/61/43/1111426143.db2.gz RMXNQEIITNCIRL-WTNAPCKOSA-N 2 2 356.485 4.156 20 0 FIADLP C[NH+](C)[C@]1(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CCSC1 ZINC000539218491 1111479771 /nfs/dbraw/zinc/47/97/71/1111479771.db2.gz VYZUAAOGFQUABT-SJORKVTESA-N 2 2 358.473 4.183 20 0 FIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000539222439 1111482056 /nfs/dbraw/zinc/48/20/56/1111482056.db2.gz FRUNJUYWORUNID-UHFFFAOYSA-N 2 2 357.404 4.476 20 0 FIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000539222439 1111482058 /nfs/dbraw/zinc/48/20/58/1111482058.db2.gz FRUNJUYWORUNID-UHFFFAOYSA-N 2 2 357.404 4.476 20 0 FIADLP Fc1cccnc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552056509 1111559916 /nfs/dbraw/zinc/55/99/16/1111559916.db2.gz GCRFVSUNHJBTGW-QKNQBKEWSA-N 2 2 353.485 4.001 20 0 FIADLP Fc1cccnc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552056509 1111559919 /nfs/dbraw/zinc/55/99/19/1111559919.db2.gz GCRFVSUNHJBTGW-QKNQBKEWSA-N 2 2 353.485 4.001 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000552103972 1111586717 /nfs/dbraw/zinc/58/67/17/1111586717.db2.gz OFKFGTPFABCKHW-SFHVURJKSA-N 2 2 372.944 4.142 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000552103972 1111586722 /nfs/dbraw/zinc/58/67/22/1111586722.db2.gz OFKFGTPFABCKHW-SFHVURJKSA-N 2 2 372.944 4.142 20 0 FIADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCCc3nn(C)cc32)CCCC1)c1ccccc1 ZINC000479052366 1111941352 /nfs/dbraw/zinc/94/13/52/1111941352.db2.gz BBCYZTFSJKJUPB-FXAWDEMLSA-N 2 2 352.526 4.051 20 0 FIADLP Cc1cc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc(C(C)C)[nH+]1 ZINC000553336070 1111951847 /nfs/dbraw/zinc/95/18/47/1111951847.db2.gz GRKCEQBMIAVIED-QFIPXVFZSA-N 2 2 350.510 4.011 20 0 FIADLP Cc1cc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc(C(C)C)[nH+]1 ZINC000553336070 1111951848 /nfs/dbraw/zinc/95/18/48/1111951848.db2.gz GRKCEQBMIAVIED-QFIPXVFZSA-N 2 2 350.510 4.011 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)Cc1ccc(Br)cc1)CCC2 ZINC000479268130 1111982678 /nfs/dbraw/zinc/98/26/78/1111982678.db2.gz YSNNJWPDSLFYPP-XJKSGUPXSA-N 2 2 362.315 4.052 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000479368141 1112001944 /nfs/dbraw/zinc/00/19/44/1112001944.db2.gz YEKUWRGMSZIQCO-KGLIPLIRSA-N 2 2 371.282 4.442 20 0 FIADLP CC(C)C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000479429922 1112027013 /nfs/dbraw/zinc/02/70/13/1112027013.db2.gz KCGZHGXYYOEGSA-DLBZAZTESA-N 2 2 362.315 4.337 20 0 FIADLP Fc1cccc2c1CC[C@H]2[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479505926 1112049859 /nfs/dbraw/zinc/04/98/59/1112049859.db2.gz SWTVUZKUYIWZCU-WTNGLUPJSA-N 2 2 356.407 4.208 20 0 FIADLP C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000554076737 1112193186 /nfs/dbraw/zinc/19/31/86/1112193186.db2.gz ISAYFUHWGLHIIC-YWZLYKJASA-N 2 2 355.869 4.300 20 0 FIADLP COc1ccc2c(c1)[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCC2 ZINC000480529214 1112470004 /nfs/dbraw/zinc/47/00/04/1112470004.db2.gz PSWRGVOPOTWVNU-JOCHJYFZSA-N 2 2 361.489 4.150 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480661329 1112526445 /nfs/dbraw/zinc/52/64/45/1112526445.db2.gz IIUGZKOHNQWJIL-VGOFRKELSA-N 2 2 373.491 4.183 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480661329 1112526452 /nfs/dbraw/zinc/52/64/52/1112526452.db2.gz IIUGZKOHNQWJIL-VGOFRKELSA-N 2 2 373.491 4.183 20 0 FIADLP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1F ZINC000480743958 1112581447 /nfs/dbraw/zinc/58/14/47/1112581447.db2.gz JJRGMOSGWORPKI-UYAOXDASSA-N 2 2 371.500 4.226 20 0 FIADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H](C)Cn3cc[nH+]c3)s2)cc1 ZINC000480774879 1112599040 /nfs/dbraw/zinc/59/90/40/1112599040.db2.gz WOECPPNVZUPXHU-ZIAGYGMSSA-N 2 2 356.495 4.063 20 0 FIADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000480817497 1112621050 /nfs/dbraw/zinc/62/10/50/1112621050.db2.gz LDUDRTQEEQNOLR-QFIPXVFZSA-N 2 2 351.469 4.427 20 0 FIADLP CCC[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000481404955 1112931024 /nfs/dbraw/zinc/93/10/24/1112931024.db2.gz NFQDFBFZCGFSAV-QHCPKHFHSA-N 2 2 368.521 4.029 20 0 FIADLP C[C@@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481542645 1112973851 /nfs/dbraw/zinc/97/38/51/1112973851.db2.gz JUMGCACKNHTOBU-GJZGRUSLSA-N 2 2 357.404 4.269 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)CCC2 ZINC000481648643 1113006671 /nfs/dbraw/zinc/00/66/71/1113006671.db2.gz ZGFXITXAOOLUBE-XJKSGUPXSA-N 2 2 351.416 4.309 20 0 FIADLP FC(F)(F)Oc1ccc2c(N[C@@H]3CCN(c4cccc[nH+]4)C3)cc[nH+]c2c1 ZINC000899874279 1113036582 /nfs/dbraw/zinc/03/65/82/1113036582.db2.gz RJOVGHDLOJCQGV-CYBMUJFWSA-N 2 2 374.366 4.219 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc2cc(Br)ccc2o1 ZINC000157794237 1113119546 /nfs/dbraw/zinc/11/95/46/1113119546.db2.gz HZNOZXVWNIYHFG-SLEUVZQESA-N 2 2 351.288 4.329 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc2cc(Br)ccc2o1 ZINC000157794237 1113119541 /nfs/dbraw/zinc/11/95/41/1113119541.db2.gz HZNOZXVWNIYHFG-SLEUVZQESA-N 2 2 351.288 4.329 20 0 FIADLP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000481995691 1113151345 /nfs/dbraw/zinc/15/13/45/1113151345.db2.gz WTERFBFVKGTAAP-NHCUHLMSSA-N 2 2 362.521 4.153 20 0 FIADLP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000481995691 1113151346 /nfs/dbraw/zinc/15/13/46/1113151346.db2.gz WTERFBFVKGTAAP-NHCUHLMSSA-N 2 2 362.521 4.153 20 0 FIADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2Br)C1 ZINC000482364584 1113232974 /nfs/dbraw/zinc/23/29/74/1113232974.db2.gz YVFONDWUSDEQSE-KGLIPLIRSA-N 2 2 357.311 4.359 20 0 FIADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2Br)C1 ZINC000482364584 1113232979 /nfs/dbraw/zinc/23/29/79/1113232979.db2.gz YVFONDWUSDEQSE-KGLIPLIRSA-N 2 2 357.311 4.359 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC[N@@H+]1C ZINC000482791851 1113366106 /nfs/dbraw/zinc/36/61/06/1113366106.db2.gz RUTYAUBGUCXDLV-RDJZCZTQSA-N 2 2 374.960 4.396 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC[N@H+]1C ZINC000482791851 1113366108 /nfs/dbraw/zinc/36/61/08/1113366108.db2.gz RUTYAUBGUCXDLV-RDJZCZTQSA-N 2 2 374.960 4.396 20 0 FIADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000483113794 1113445748 /nfs/dbraw/zinc/44/57/48/1113445748.db2.gz CFKFWSCKUGWBIU-KNQAVFIVSA-N 2 2 368.521 4.027 20 0 FIADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000483113794 1113445749 /nfs/dbraw/zinc/44/57/49/1113445749.db2.gz CFKFWSCKUGWBIU-KNQAVFIVSA-N 2 2 368.521 4.027 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000668576221 1113488627 /nfs/dbraw/zinc/48/86/27/1113488627.db2.gz XTLZJRFHTUGKPR-HXUWFJFHSA-N 2 2 365.525 4.062 20 0 FIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1cccc(OC)c1 ZINC000489335115 1114088603 /nfs/dbraw/zinc/08/86/03/1114088603.db2.gz UKXFGAHCLONUME-SFHVURJKSA-N 2 2 353.510 4.390 20 0 FIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1cccc(OC)c1 ZINC000489335115 1114088607 /nfs/dbraw/zinc/08/86/07/1114088607.db2.gz UKXFGAHCLONUME-SFHVURJKSA-N 2 2 353.510 4.390 20 0 FIADLP C(C[NH+]1CCS[C@H]2CCCC[C@H]21)C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000489387312 1114096341 /nfs/dbraw/zinc/09/63/41/1114096341.db2.gz KMHXOLCTSBIUHZ-RDGPPVDQSA-N 2 2 354.629 4.097 20 0 FIADLP C(C[NH+]1CCS[C@H]2CCCC[C@H]21)C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000489387312 1114096343 /nfs/dbraw/zinc/09/63/43/1114096343.db2.gz KMHXOLCTSBIUHZ-RDGPPVDQSA-N 2 2 354.629 4.097 20 0 FIADLP C(C[NH+]1CCS[C@H]2CCCC[C@@H]21)C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000489387312 1114096344 /nfs/dbraw/zinc/09/63/44/1114096344.db2.gz KMHXOLCTSBIUHZ-RDGPPVDQSA-N 2 2 354.629 4.097 20 0 FIADLP C(C[NH+]1CCS[C@H]2CCCC[C@@H]21)C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000489387312 1114096346 /nfs/dbraw/zinc/09/63/46/1114096346.db2.gz KMHXOLCTSBIUHZ-RDGPPVDQSA-N 2 2 354.629 4.097 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCOc3cc4c(cc31)CCCC4)CCC2 ZINC000489553960 1114131896 /nfs/dbraw/zinc/13/18/96/1114131896.db2.gz VIIZQPHAKNEECI-TZIWHRDSSA-N 2 2 365.521 4.451 20 0 FIADLP COCC[NH+]1CCC([NH2+][C@H]2CCCOc3c(C)cc(C(C)(C)C)cc32)CC1 ZINC000489594048 1114140784 /nfs/dbraw/zinc/14/07/84/1114140784.db2.gz FHWUTFNQEFNNMV-NRFANRHFSA-N 2 2 374.569 4.207 20 0 FIADLP CC[N@H+](C[C@@H]1CCO[C@H](C)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000490355344 1114277798 /nfs/dbraw/zinc/27/77/98/1114277798.db2.gz PRQXBKGSPHODMT-RTBURBONSA-N 2 2 374.573 4.014 20 0 FIADLP CC[N@@H+](C[C@@H]1CCO[C@H](C)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000490355344 1114277801 /nfs/dbraw/zinc/27/78/01/1114277801.db2.gz PRQXBKGSPHODMT-RTBURBONSA-N 2 2 374.573 4.014 20 0 FIADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2ncc(Br)cc2Cl)CC1 ZINC000659877585 1114584412 /nfs/dbraw/zinc/58/44/12/1114584412.db2.gz ULQFIDHFDCAUIY-UHFFFAOYSA-N 2 2 374.754 4.050 20 0 FIADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ncc(Br)cc2Cl)CC1 ZINC000659877585 1114584414 /nfs/dbraw/zinc/58/44/14/1114584414.db2.gz ULQFIDHFDCAUIY-UHFFFAOYSA-N 2 2 374.754 4.050 20 0 FIADLP COc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1OC1CCCC1 ZINC000573793188 1115181492 /nfs/dbraw/zinc/18/14/92/1115181492.db2.gz WUCNMNOENGXXAW-PMACEKPBSA-N 2 2 352.478 4.251 20 0 FIADLP CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000167946338 1115362937 /nfs/dbraw/zinc/36/29/37/1115362937.db2.gz FYPBCQGIWODBEJ-UHFFFAOYSA-N 2 2 371.916 4.085 20 0 FIADLP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2occc2Br)cc1 ZINC000227364940 1115557272 /nfs/dbraw/zinc/55/72/72/1115557272.db2.gz CKHVDDWNWITFRP-UHFFFAOYSA-N 2 2 351.288 4.174 20 0 FIADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000669700353 1115819047 /nfs/dbraw/zinc/81/90/47/1115819047.db2.gz WEHMJCGDBYWBRU-LAUBAEHRSA-N 2 2 363.509 4.366 20 0 FIADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168415658 1115826597 /nfs/dbraw/zinc/82/65/97/1115826597.db2.gz RIFRSTMBCCVGKQ-HSZRJFAPSA-N 2 2 370.487 4.385 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(-n3cnc4ccccc43)cc1)CCC2 ZINC000608067847 1116080743 /nfs/dbraw/zinc/08/07/43/1116080743.db2.gz XONZYROMHNKBFJ-IBGZPJMESA-N 2 2 371.488 4.198 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(Br)cc1)c1ccccc1 ZINC000608073682 1116080936 /nfs/dbraw/zinc/08/09/36/1116080936.db2.gz PILCRKNPHRSUEE-GOSISDBHSA-N 2 2 370.294 4.256 20 0 FIADLP C(=C\c1ccncc1)\C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509448726 1116198522 /nfs/dbraw/zinc/19/85/22/1116198522.db2.gz ASLZVEHMDPRJNX-ZKYGRLIUSA-N 2 2 369.512 4.353 20 0 FIADLP C(=C\c1ccncc1)\C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509448726 1116198523 /nfs/dbraw/zinc/19/85/23/1116198523.db2.gz ASLZVEHMDPRJNX-ZKYGRLIUSA-N 2 2 369.512 4.353 20 0 FIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535044992 1116262441 /nfs/dbraw/zinc/26/24/41/1116262441.db2.gz DHHNEEDNYOERFI-UKRRQHHQSA-N 2 2 356.857 4.279 20 0 FIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535044992 1116262443 /nfs/dbraw/zinc/26/24/43/1116262443.db2.gz DHHNEEDNYOERFI-UKRRQHHQSA-N 2 2 356.857 4.279 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000539650385 1116358464 /nfs/dbraw/zinc/35/84/64/1116358464.db2.gz KHYPUXBELINAGZ-PXNSSMCTSA-N 2 2 364.489 4.047 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC[N@H+]1Cc1ccccc1 ZINC000539650385 1116358466 /nfs/dbraw/zinc/35/84/66/1116358466.db2.gz KHYPUXBELINAGZ-PXNSSMCTSA-N 2 2 364.489 4.047 20 0 FIADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000539897708 1117739855 /nfs/dbraw/zinc/73/98/55/1117739855.db2.gz APWZJGBEVBAKBL-AEFFLSMTSA-N 2 2 366.933 4.054 20 0 FIADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000539897708 1117739858 /nfs/dbraw/zinc/73/98/58/1117739858.db2.gz APWZJGBEVBAKBL-AEFFLSMTSA-N 2 2 366.933 4.054 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000539897708 1117739862 /nfs/dbraw/zinc/73/98/62/1117739862.db2.gz APWZJGBEVBAKBL-AEFFLSMTSA-N 2 2 366.933 4.054 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000539897708 1117739865 /nfs/dbraw/zinc/73/98/65/1117739865.db2.gz APWZJGBEVBAKBL-AEFFLSMTSA-N 2 2 366.933 4.054 20 0 FIADLP c1cc2[nH+]ccc(N3CCC[N@@H+](CCCc4ccccc4)CC3)c2s1 ZINC000462793934 1117776114 /nfs/dbraw/zinc/77/61/14/1117776114.db2.gz VOZAIIDBSIOXCS-UHFFFAOYSA-N 2 2 351.519 4.441 20 0 FIADLP c1cc2[nH+]ccc(N3CCC[N@H+](CCCc4ccccc4)CC3)c2s1 ZINC000462793934 1117776118 /nfs/dbraw/zinc/77/61/18/1117776118.db2.gz VOZAIIDBSIOXCS-UHFFFAOYSA-N 2 2 351.519 4.441 20 0 FIADLP COc1ccc(F)cc1C[NH2+][C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000462905668 1117840170 /nfs/dbraw/zinc/84/01/70/1117840170.db2.gz JAFAQOIZAOBBRJ-FPOVZHCZSA-N 2 2 351.425 4.049 20 0 FIADLP C[C@@H]([NH2+][C@@H]1CCOc2c(F)ccc(F)c21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462942150 1117871542 /nfs/dbraw/zinc/87/15/42/1117871542.db2.gz FJVJDWSUFNIJDE-WRWLIDTKSA-N 2 2 372.459 4.289 20 0 FIADLP C[C@@H]([NH2+][C@@H]1CCOc2c(F)ccc(F)c21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462942150 1117871550 /nfs/dbraw/zinc/87/15/50/1117871550.db2.gz FJVJDWSUFNIJDE-WRWLIDTKSA-N 2 2 372.459 4.289 20 0 FIADLP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H](C)c3ccncc3)CC1)CCC2 ZINC000540150966 1117905635 /nfs/dbraw/zinc/90/56/35/1117905635.db2.gz JXZLIPUWFQFYSY-UZUQRXQVSA-N 2 2 365.521 4.283 20 0 FIADLP Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000540152833 1117906887 /nfs/dbraw/zinc/90/68/87/1117906887.db2.gz SBBQLIGOFFLBQA-IFMALSPDSA-N 2 2 365.521 4.339 20 0 FIADLP CCOc1ccccc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463076978 1117959566 /nfs/dbraw/zinc/95/95/66/1117959566.db2.gz IYPDDDZUJHTWLL-UHFFFAOYSA-N 2 2 356.485 4.021 20 0 FIADLP C[C@@H]1C[C@H](NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463083734 1117965572 /nfs/dbraw/zinc/96/55/72/1117965572.db2.gz LTTKEFGNQBZSRI-YSZBQJHXSA-N 2 2 369.528 4.071 20 0 FIADLP C[C@@H]1C[C@H](NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463083734 1117965575 /nfs/dbraw/zinc/96/55/75/1117965575.db2.gz LTTKEFGNQBZSRI-YSZBQJHXSA-N 2 2 369.528 4.071 20 0 FIADLP Cc1ccc2c(c1C)OC[C@@H]2[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463145716 1117982956 /nfs/dbraw/zinc/98/29/56/1117982956.db2.gz NNDGKPYHTBXXEI-QFIPXVFZSA-N 2 2 368.496 4.173 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCOc3ccc(F)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000463156821 1117995559 /nfs/dbraw/zinc/99/55/59/1117995559.db2.gz VTZOCQQZFPHBTP-BSIFCXSSSA-N 2 2 354.469 4.292 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCOc3ccc(F)cc32)CC[N@H+]1Cc1ccccc1 ZINC000463156821 1117995561 /nfs/dbraw/zinc/99/55/61/1117995561.db2.gz VTZOCQQZFPHBTP-BSIFCXSSSA-N 2 2 354.469 4.292 20 0 FIADLP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000540406921 1118036039 /nfs/dbraw/zinc/03/60/39/1118036039.db2.gz XJSZQHZBCQUTCZ-LRDDRELGSA-N 2 2 366.328 4.108 20 0 FIADLP CC(C)N(C)c1ccccc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000463275853 1118075505 /nfs/dbraw/zinc/07/55/05/1118075505.db2.gz MVHUUCPXYQVBOX-UHFFFAOYSA-N 2 2 357.464 4.038 20 0 FIADLP CCCOc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000540757271 1118224985 /nfs/dbraw/zinc/22/49/85/1118224985.db2.gz LLFLNTYUBPSHJT-XLIONFOSSA-N 2 2 368.525 4.184 20 0 FIADLP CSc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1F ZINC000540756727 1118225242 /nfs/dbraw/zinc/22/52/42/1118225242.db2.gz MKKREMMNOAHOJC-YOEHRIQHSA-N 2 2 374.529 4.256 20 0 FIADLP COc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2ccc(F)cc2)cc1 ZINC000540908331 1118307050 /nfs/dbraw/zinc/30/70/50/1118307050.db2.gz KPDWBUXBCSSOBF-OAQYLSRUSA-N 2 2 353.441 4.190 20 0 FIADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541546861 1118551146 /nfs/dbraw/zinc/55/11/46/1118551146.db2.gz WUKKRMBEYIBVEY-SBUREZEXSA-N 2 2 363.480 4.395 20 0 FIADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541546861 1118551148 /nfs/dbraw/zinc/55/11/48/1118551148.db2.gz WUKKRMBEYIBVEY-SBUREZEXSA-N 2 2 363.480 4.395 20 0 FIADLP Fc1ccc([C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2cccnc2)cc1 ZINC000541550732 1118560122 /nfs/dbraw/zinc/56/01/22/1118560122.db2.gz HPOVUEMXTRNJFK-HSZRJFAPSA-N 2 2 372.447 4.345 20 0 FIADLP C[C@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599098 1118574410 /nfs/dbraw/zinc/57/44/10/1118574410.db2.gz GTTKIZMYUFNTIB-DOTOQJQBSA-N 2 2 357.473 4.223 20 0 FIADLP C[C@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599098 1118574415 /nfs/dbraw/zinc/57/44/15/1118574415.db2.gz GTTKIZMYUFNTIB-DOTOQJQBSA-N 2 2 357.473 4.223 20 0 FIADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000541774601 1118645631 /nfs/dbraw/zinc/64/56/31/1118645631.db2.gz XGDILMGHJLAOGH-OAHLLOKOSA-N 2 2 362.411 4.073 20 0 FIADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000541774601 1118645633 /nfs/dbraw/zinc/64/56/33/1118645633.db2.gz XGDILMGHJLAOGH-OAHLLOKOSA-N 2 2 362.411 4.073 20 0 FIADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000541774601 1118645636 /nfs/dbraw/zinc/64/56/36/1118645636.db2.gz XGDILMGHJLAOGH-OAHLLOKOSA-N 2 2 362.411 4.073 20 0 FIADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000541774601 1118645643 /nfs/dbraw/zinc/64/56/43/1118645643.db2.gz XGDILMGHJLAOGH-OAHLLOKOSA-N 2 2 362.411 4.073 20 0 FIADLP CC[N@H+](CCCOc1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804953 1118699290 /nfs/dbraw/zinc/69/92/90/1118699290.db2.gz KGCPJDZENLEATN-UHFFFAOYSA-N 2 2 371.500 4.228 20 0 FIADLP CC[N@@H+](CCCOc1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804953 1118699292 /nfs/dbraw/zinc/69/92/92/1118699292.db2.gz KGCPJDZENLEATN-UHFFFAOYSA-N 2 2 371.500 4.228 20 0 FIADLP Brc1cccc2c1CCC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000542150737 1118813053 /nfs/dbraw/zinc/81/30/53/1118813053.db2.gz HCCUWRFUYUSNKL-GOSISDBHSA-N 2 2 374.326 4.192 20 0 FIADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC3 ZINC000491409700 1118946110 /nfs/dbraw/zinc/94/61/10/1118946110.db2.gz JKSBUJHPUKHWJP-HXUWFJFHSA-N 2 2 370.500 4.368 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cc(F)c(Br)cc1F ZINC000623615932 1119104029 /nfs/dbraw/zinc/10/40/29/1119104029.db2.gz BSTWCXSDTGLVKA-QWRGUYRKSA-N 2 2 361.274 4.251 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cc(F)c(Br)cc1F ZINC000623615932 1119104032 /nfs/dbraw/zinc/10/40/32/1119104032.db2.gz BSTWCXSDTGLVKA-QWRGUYRKSA-N 2 2 361.274 4.251 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC[N@@H+]1C ZINC000493224276 1119351672 /nfs/dbraw/zinc/35/16/72/1119351672.db2.gz DCPPSAWUDUMKPZ-MOXGXCLJSA-N 2 2 360.448 4.450 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC[N@H+]1C ZINC000493224276 1119351678 /nfs/dbraw/zinc/35/16/78/1119351678.db2.gz DCPPSAWUDUMKPZ-MOXGXCLJSA-N 2 2 360.448 4.450 20 0 FIADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)CC3 ZINC000493224936 1119352466 /nfs/dbraw/zinc/35/24/66/1119352466.db2.gz FXENKZNSOLTLFF-SFHVURJKSA-N 2 2 356.473 4.309 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1Br ZINC000178254668 1119380247 /nfs/dbraw/zinc/38/02/47/1119380247.db2.gz QJUWENLJSGFKGZ-LBPRGKRZSA-N 2 2 355.295 4.113 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(Cl)ccc1OC(F)F ZINC000178256748 1119380681 /nfs/dbraw/zinc/38/06/81/1119380681.db2.gz MPYZTBRKYCJQIV-GFCCVEGCSA-N 2 2 358.860 4.466 20 0 FIADLP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000493926972 1119510586 /nfs/dbraw/zinc/51/05/86/1119510586.db2.gz PTORGCDIIHADHH-KRWDZBQOSA-N 2 2 374.326 4.110 20 0 FIADLP Cc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1Br ZINC000190316752 1119934101 /nfs/dbraw/zinc/93/41/01/1119934101.db2.gz DPCIKTLGOGLESU-UHFFFAOYSA-N 2 2 356.267 4.233 20 0 FIADLP Brc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000190910755 1119953783 /nfs/dbraw/zinc/95/37/83/1119953783.db2.gz NOOVIFXWOQWZST-ZDUSSCGKSA-N 2 2 369.328 4.105 20 0 FIADLP Brc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000190910755 1119953787 /nfs/dbraw/zinc/95/37/87/1119953787.db2.gz NOOVIFXWOQWZST-ZDUSSCGKSA-N 2 2 369.328 4.105 20 0 FIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)o2)[C@@H]1c1cccs1 ZINC000191190052 1119964125 /nfs/dbraw/zinc/96/41/25/1119964125.db2.gz FQXNFYLIHZQWLW-BLLLJJGKSA-N 2 2 369.328 4.276 20 0 FIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)o2)[C@@H]1c1cccs1 ZINC000191190052 1119964127 /nfs/dbraw/zinc/96/41/27/1119964127.db2.gz FQXNFYLIHZQWLW-BLLLJJGKSA-N 2 2 369.328 4.276 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000192053443 1120010867 /nfs/dbraw/zinc/01/08/67/1120010867.db2.gz KTDYPJGLXCPTPQ-QUGAMOGWSA-N 2 2 367.518 4.111 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000192053443 1120010873 /nfs/dbraw/zinc/01/08/73/1120010873.db2.gz KTDYPJGLXCPTPQ-QUGAMOGWSA-N 2 2 367.518 4.111 20 0 FIADLP COC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000193964218 1120220321 /nfs/dbraw/zinc/22/03/21/1120220321.db2.gz ADHXGKNDAAGCNV-HXUWFJFHSA-N 2 2 369.896 4.105 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000494937444 1120389966 /nfs/dbraw/zinc/38/99/66/1120389966.db2.gz MUHVRFKATJCWPE-DYVFJYSZSA-N 2 2 366.431 4.010 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000494937444 1120389972 /nfs/dbraw/zinc/38/99/72/1120389972.db2.gz MUHVRFKATJCWPE-DYVFJYSZSA-N 2 2 366.431 4.010 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000494937444 1120389979 /nfs/dbraw/zinc/38/99/79/1120389979.db2.gz MUHVRFKATJCWPE-DYVFJYSZSA-N 2 2 366.431 4.010 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000494937444 1120389986 /nfs/dbraw/zinc/38/99/86/1120389986.db2.gz MUHVRFKATJCWPE-DYVFJYSZSA-N 2 2 366.431 4.010 20 0 FIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(Cl)cs1 ZINC000494978608 1120417576 /nfs/dbraw/zinc/41/75/76/1120417576.db2.gz KDGJDDNUBNIWGG-UHFFFAOYSA-N 3 2 370.006 4.030 20 0 FIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(Cl)cs1 ZINC000494978608 1120417581 /nfs/dbraw/zinc/41/75/81/1120417581.db2.gz KDGJDDNUBNIWGG-UHFFFAOYSA-N 3 2 370.006 4.030 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495002316 1120419963 /nfs/dbraw/zinc/41/99/63/1120419963.db2.gz XVBXEXAQWSTLBJ-GVDBMIGSSA-N 2 2 354.498 4.130 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495002316 1120419971 /nfs/dbraw/zinc/41/99/71/1120419971.db2.gz XVBXEXAQWSTLBJ-GVDBMIGSSA-N 2 2 354.498 4.130 20 0 FIADLP C[C@H]([NH2+][C@H]1COc2ccc(Cl)cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495374116 1120759124 /nfs/dbraw/zinc/75/91/24/1120759124.db2.gz MLCZFBUFXOYLGR-VPWXQRGCSA-N 2 2 356.897 4.274 20 0 FIADLP C[C@H]([NH2+][C@H]1COc2ccc(Cl)cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495374116 1120759128 /nfs/dbraw/zinc/75/91/28/1120759128.db2.gz MLCZFBUFXOYLGR-VPWXQRGCSA-N 2 2 356.897 4.274 20 0 FIADLP Fc1ccc(C2=CC[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000495391802 1120771503 /nfs/dbraw/zinc/77/15/03/1120771503.db2.gz SKRIGLZZNHUZNT-HXUWFJFHSA-N 2 2 351.469 4.415 20 0 FIADLP COc1ccc(F)cc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000237182365 1120974522 /nfs/dbraw/zinc/97/45/22/1120974522.db2.gz LMZLUDBMCNONHK-KRWDZBQOSA-N 2 2 356.485 4.192 20 0 FIADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000237424552 1120977613 /nfs/dbraw/zinc/97/76/13/1120977613.db2.gz NTROKFSSFOFKKS-NQIIRXRSSA-N 2 2 368.521 4.062 20 0 FIADLP c1cn(-c2ccccc2-c2noc([C@H]3CC[C@H](c4ccccc4)[NH2+]C3)n2)c[nH+]1 ZINC001212207965 1120986925 /nfs/dbraw/zinc/98/69/25/1120986925.db2.gz NLVJVEQVCSCDIT-PKOBYXMFSA-N 2 2 371.444 4.131 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282125976 1121259765 /nfs/dbraw/zinc/25/97/65/1121259765.db2.gz RAJFLYOBLTZKOG-CVEARBPZSA-N 2 2 350.466 4.301 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282125976 1121259770 /nfs/dbraw/zinc/25/97/70/1121259770.db2.gz RAJFLYOBLTZKOG-CVEARBPZSA-N 2 2 350.466 4.301 20 0 FIADLP CCn1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c2ccccc21 ZINC000397975923 1121328901 /nfs/dbraw/zinc/32/89/01/1121328901.db2.gz KRCYHZZZQAQQDU-RXVVDRJESA-N 2 2 362.521 4.056 20 0 FIADLP CCn1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c2ccccc21 ZINC000397975923 1121328909 /nfs/dbraw/zinc/32/89/09/1121328909.db2.gz KRCYHZZZQAQQDU-RXVVDRJESA-N 2 2 362.521 4.056 20 0 FIADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000108370543 1121533449 /nfs/dbraw/zinc/53/34/49/1121533449.db2.gz ZKIBCJFXOIWDKL-UHFFFAOYSA-N 2 2 356.485 4.367 20 0 FIADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCC[C@@H]2c2nccs2)CC1 ZINC000127706019 1122139291 /nfs/dbraw/zinc/13/92/91/1122139291.db2.gz DFTLQVJBXRXQTA-HXUWFJFHSA-N 2 2 370.566 4.012 20 0 FIADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCCC[C@@H]2c2nccs2)CC1 ZINC000127706019 1122139293 /nfs/dbraw/zinc/13/92/93/1122139293.db2.gz DFTLQVJBXRXQTA-HXUWFJFHSA-N 2 2 370.566 4.012 20 0 FIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+](CC)C2CCCC2)c1=S ZINC000917465739 1122327653 /nfs/dbraw/zinc/32/76/53/1122327653.db2.gz PQTIQJLZLAYROK-KRWDZBQOSA-N 2 2 367.607 4.449 20 0 FIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+](CC)C2CCCC2)c1=S ZINC000917465739 1122327659 /nfs/dbraw/zinc/32/76/59/1122327659.db2.gz PQTIQJLZLAYROK-KRWDZBQOSA-N 2 2 367.607 4.449 20 0 FIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000444803143 1122655207 /nfs/dbraw/zinc/65/52/07/1122655207.db2.gz YPUSJKSKHPTLPD-OAHLLOKOSA-N 2 2 356.857 4.108 20 0 FIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000444803143 1122655210 /nfs/dbraw/zinc/65/52/10/1122655210.db2.gz YPUSJKSKHPTLPD-OAHLLOKOSA-N 2 2 356.857 4.108 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556168065 1122707948 /nfs/dbraw/zinc/70/79/48/1122707948.db2.gz DFROQXQWOBPERQ-FYYLOGMGSA-N 2 2 360.505 4.106 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556168065 1122707950 /nfs/dbraw/zinc/70/79/50/1122707950.db2.gz DFROQXQWOBPERQ-FYYLOGMGSA-N 2 2 360.505 4.106 20 0 FIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000556236574 1122753857 /nfs/dbraw/zinc/75/38/57/1122753857.db2.gz RUPAHAVFBVZGGA-DHIUTWEWSA-N 2 2 368.521 4.069 20 0 FIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000556236574 1122753861 /nfs/dbraw/zinc/75/38/61/1122753861.db2.gz RUPAHAVFBVZGGA-DHIUTWEWSA-N 2 2 368.521 4.069 20 0 FIADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000556590091 1122993293 /nfs/dbraw/zinc/99/32/93/1122993293.db2.gz YOHLWACAXGSPHL-JJEOQYAHSA-N 2 2 361.489 4.222 20 0 FIADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000132236561 1123233513 /nfs/dbraw/zinc/23/35/13/1123233513.db2.gz QCVHUHCABRFVBC-RBUKOAKNSA-N 2 2 363.505 4.264 20 0 FIADLP Cc1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)o2)cc1 ZINC000136585644 1123911798 /nfs/dbraw/zinc/91/17/98/1123911798.db2.gz ZJFRKMWMVIMCKO-VXKWHMMOSA-N 2 2 368.521 4.113 20 0 FIADLP CCCC[NH+]1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245684355 1124194871 /nfs/dbraw/zinc/19/48/71/1124194871.db2.gz JICGCDBRVKWLGJ-NUNAXRQHSA-N 3 2 355.570 4.036 20 0 FIADLP CCCC[NH+]1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245684355 1124194877 /nfs/dbraw/zinc/19/48/77/1124194877.db2.gz JICGCDBRVKWLGJ-NUNAXRQHSA-N 3 2 355.570 4.036 20 0 FIADLP CCCC[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245684362 1124195065 /nfs/dbraw/zinc/19/50/65/1124195065.db2.gz JICGCDBRVKWLGJ-WBDAEOGXSA-N 3 2 355.570 4.036 20 0 FIADLP CCCC[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245684362 1124195071 /nfs/dbraw/zinc/19/50/71/1124195071.db2.gz JICGCDBRVKWLGJ-WBDAEOGXSA-N 3 2 355.570 4.036 20 0 FIADLP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000245844540 1124261430 /nfs/dbraw/zinc/26/14/30/1124261430.db2.gz FFFLAJLKDKEMND-DLPLYFIVSA-N 2 2 369.415 4.331 20 0 FIADLP CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246308611 1124441711 /nfs/dbraw/zinc/44/17/11/1124441711.db2.gz DPSOGLHDSWARRG-DENIHFKCSA-N 2 2 367.537 4.084 20 0 FIADLP CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246308611 1124441717 /nfs/dbraw/zinc/44/17/17/1124441717.db2.gz DPSOGLHDSWARRG-DENIHFKCSA-N 2 2 367.537 4.084 20 0 FIADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246403063 1124486784 /nfs/dbraw/zinc/48/67/84/1124486784.db2.gz LWPUATIJGWBROO-UZLBHIALSA-N 2 2 373.928 4.134 20 0 FIADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246403063 1124486790 /nfs/dbraw/zinc/48/67/90/1124486790.db2.gz LWPUATIJGWBROO-UZLBHIALSA-N 2 2 373.928 4.134 20 0 FIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247018959 1124582714 /nfs/dbraw/zinc/58/27/14/1124582714.db2.gz LRXCPYHSDMVZSG-PKOBYXMFSA-N 2 2 369.509 4.235 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000247054725 1124586077 /nfs/dbraw/zinc/58/60/77/1124586077.db2.gz PCLNNGMTQLGYMA-LAUBAEHRSA-N 2 2 369.940 4.267 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000247054725 1124586080 /nfs/dbraw/zinc/58/60/80/1124586080.db2.gz PCLNNGMTQLGYMA-LAUBAEHRSA-N 2 2 369.940 4.267 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000247071810 1124586862 /nfs/dbraw/zinc/58/68/62/1124586862.db2.gz QESUSVWSTDKSFW-NTKDMRAZSA-N 2 2 359.517 4.278 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000247071810 1124586865 /nfs/dbraw/zinc/58/68/65/1124586865.db2.gz QESUSVWSTDKSFW-NTKDMRAZSA-N 2 2 359.517 4.278 20 0 FIADLP CSc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247106311 1124591574 /nfs/dbraw/zinc/59/15/74/1124591574.db2.gz OVHLOBZWAPOUAW-YLJYHZDGSA-N 2 2 355.551 4.112 20 0 FIADLP CSc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247106311 1124591582 /nfs/dbraw/zinc/59/15/82/1124591582.db2.gz OVHLOBZWAPOUAW-YLJYHZDGSA-N 2 2 355.551 4.112 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000249269300 1124852527 /nfs/dbraw/zinc/85/25/27/1124852527.db2.gz JSPHZUDQIUDIGY-QGPMSJSTSA-N 2 2 355.448 4.318 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000090392657 1124992772 /nfs/dbraw/zinc/99/27/72/1124992772.db2.gz ZWHXNBRCHINRMI-REWPJTCUSA-N 2 2 363.549 4.295 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000090392657 1124992774 /nfs/dbraw/zinc/99/27/74/1124992774.db2.gz ZWHXNBRCHINRMI-REWPJTCUSA-N 2 2 363.549 4.295 20 0 FIADLP COc1ccc([C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C2CC2)cc1 ZINC000091283298 1125060448 /nfs/dbraw/zinc/06/04/48/1125060448.db2.gz QTZBOTKAGLEXRB-HSZRJFAPSA-N 2 2 361.489 4.223 20 0 FIADLP Cc1ccc([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000091287847 1125063623 /nfs/dbraw/zinc/06/36/23/1125063623.db2.gz BTFNQUUEXUGCTP-QHCPKHFHSA-N 2 2 350.506 4.068 20 0 FIADLP c1ccc(C([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc2)cc1 ZINC000679342722 1125069545 /nfs/dbraw/zinc/06/95/45/1125069545.db2.gz QMCSQMMTQDDMNH-JOCHJYFZSA-N 2 2 350.506 4.009 20 0 FIADLP CCCOc1cccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000092645307 1125228749 /nfs/dbraw/zinc/22/87/49/1125228749.db2.gz PYSAGFPXWXQUFH-UHFFFAOYSA-N 2 2 367.537 4.009 20 0 FIADLP CCCOc1cccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000092645307 1125228757 /nfs/dbraw/zinc/22/87/57/1125228757.db2.gz PYSAGFPXWXQUFH-UHFFFAOYSA-N 2 2 367.537 4.009 20 0 FIADLP CCc1nn(C)c(CC)c1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318689 1125298025 /nfs/dbraw/zinc/29/80/25/1125298025.db2.gz HDWNSWISMVKFEL-UYAOXDASSA-N 2 2 368.569 4.030 20 0 FIADLP CCc1nn(C)c(CC)c1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318689 1125298028 /nfs/dbraw/zinc/29/80/28/1125298028.db2.gz HDWNSWISMVKFEL-UYAOXDASSA-N 2 2 368.569 4.030 20 0 FIADLP CCc1nn(C)c(CC)c1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318689 1125298035 /nfs/dbraw/zinc/29/80/35/1125298035.db2.gz HDWNSWISMVKFEL-UYAOXDASSA-N 2 2 368.569 4.030 20 0 FIADLP CCc1nn(C)c(CC)c1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318689 1125298037 /nfs/dbraw/zinc/29/80/37/1125298037.db2.gz HDWNSWISMVKFEL-UYAOXDASSA-N 2 2 368.569 4.030 20 0 FIADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000093318391 1125298496 /nfs/dbraw/zinc/29/84/96/1125298496.db2.gz YZBHEANQTZZULH-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000093318391 1125298501 /nfs/dbraw/zinc/29/85/01/1125298501.db2.gz YZBHEANQTZZULH-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000093318391 1125298505 /nfs/dbraw/zinc/29/85/05/1125298505.db2.gz YZBHEANQTZZULH-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000093318391 1125298508 /nfs/dbraw/zinc/29/85/08/1125298508.db2.gz YZBHEANQTZZULH-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP Cc1cc2c(cc1C)[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CCS2 ZINC000187006108 568042662 /nfs/dbraw/zinc/04/26/62/568042662.db2.gz USXPSCHKERYODU-LJQANCHMSA-N 2 2 353.535 4.494 20 0 FIADLP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000603942468 568185344 /nfs/dbraw/zinc/18/53/44/568185344.db2.gz PMPXXSTVPIRYKA-SIKLNZKXSA-N 2 2 363.505 4.023 20 0 FIADLP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000603942468 568185345 /nfs/dbraw/zinc/18/53/45/568185345.db2.gz PMPXXSTVPIRYKA-SIKLNZKXSA-N 2 2 363.505 4.023 20 0 FIADLP Fc1cccc(N2CCCC2)c1C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604069260 568205977 /nfs/dbraw/zinc/20/59/77/568205977.db2.gz KIKUYMHDUBGVMC-HXUWFJFHSA-N 2 2 367.512 4.180 20 0 FIADLP Fc1cccc(N2CCCC2)c1C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000604069260 568205978 /nfs/dbraw/zinc/20/59/78/568205978.db2.gz KIKUYMHDUBGVMC-HXUWFJFHSA-N 2 2 367.512 4.180 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)o1 ZINC000303534145 568290725 /nfs/dbraw/zinc/29/07/25/568290725.db2.gz IBDHNNLVNOXQEF-INIZCTEOSA-N 2 2 352.482 4.197 20 0 FIADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000390852023 568347013 /nfs/dbraw/zinc/34/70/13/568347013.db2.gz IDGQTDQZBDGEEG-YADHBBJMSA-N 2 2 356.485 4.158 20 0 FIADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000390852023 568347014 /nfs/dbraw/zinc/34/70/14/568347014.db2.gz IDGQTDQZBDGEEG-YADHBBJMSA-N 2 2 356.485 4.158 20 0 FIADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C4CC4)cc[nH+]2)CC3)cs1 ZINC001164693905 719809952 /nfs/dbraw/zinc/80/99/52/719809952.db2.gz SEUMWPDSCSZNFW-UHFFFAOYSA-N 2 2 368.550 4.359 20 0 FIADLP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C4CC4)cc[nH+]2)CC3)cs1 ZINC001164693905 719809954 /nfs/dbraw/zinc/80/99/54/719809954.db2.gz SEUMWPDSCSZNFW-UHFFFAOYSA-N 2 2 368.550 4.359 20 0 FIADLP CC(C)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)[nH+]c1 ZINC001164698998 719893327 /nfs/dbraw/zinc/89/33/27/719893327.db2.gz VJBLLDXFSFUXGI-UHFFFAOYSA-N 2 2 371.550 4.138 20 0 FIADLP CC(C)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)[nH+]c1 ZINC001164698998 719893328 /nfs/dbraw/zinc/89/33/28/719893328.db2.gz VJBLLDXFSFUXGI-UHFFFAOYSA-N 2 2 371.550 4.138 20 0 FIADLP Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)[nH+]c2ccccc12 ZINC001164862986 720955827 /nfs/dbraw/zinc/95/58/27/720955827.db2.gz XOFWSFDTYBQWFP-QGZVFWFLSA-N 2 2 363.509 4.161 20 0 FIADLP Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)[nH+]c2ccccc12 ZINC001164862986 720955832 /nfs/dbraw/zinc/95/58/32/720955832.db2.gz XOFWSFDTYBQWFP-QGZVFWFLSA-N 2 2 363.509 4.161 20 0 FIADLP CC(C)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]c1 ZINC001165020643 721814399 /nfs/dbraw/zinc/81/43/99/721814399.db2.gz CFNQUOLZCHQLHH-ILWGZMRPSA-N 2 2 364.537 4.337 20 0 FIADLP CC(C)c1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]c1 ZINC001165020643 721814402 /nfs/dbraw/zinc/81/44/02/721814402.db2.gz CFNQUOLZCHQLHH-ILWGZMRPSA-N 2 2 364.537 4.337 20 0 FIADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093643963 1125470517 /nfs/dbraw/zinc/47/05/17/1125470517.db2.gz YHANXIZPOSMYTI-FOIQADDNSA-N 2 2 374.960 4.116 20 0 FIADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093643963 1125470519 /nfs/dbraw/zinc/47/05/19/1125470519.db2.gz YHANXIZPOSMYTI-FOIQADDNSA-N 2 2 374.960 4.116 20 0 FIADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643963 1125470520 /nfs/dbraw/zinc/47/05/20/1125470520.db2.gz YHANXIZPOSMYTI-FOIQADDNSA-N 2 2 374.960 4.116 20 0 FIADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643963 1125470523 /nfs/dbraw/zinc/47/05/23/1125470523.db2.gz YHANXIZPOSMYTI-FOIQADDNSA-N 2 2 374.960 4.116 20 0 FIADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OCc1cccs1 ZINC000093644661 1125472200 /nfs/dbraw/zinc/47/22/00/1125472200.db2.gz QPQBZCHXQIJQID-SJLPKXTDSA-N 2 2 374.550 4.250 20 0 FIADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OCc1cccs1 ZINC000093644661 1125472206 /nfs/dbraw/zinc/47/22/06/1125472206.db2.gz QPQBZCHXQIJQID-SJLPKXTDSA-N 2 2 374.550 4.250 20 0 FIADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1cccs1 ZINC000093644661 1125472212 /nfs/dbraw/zinc/47/22/12/1125472212.db2.gz QPQBZCHXQIJQID-SJLPKXTDSA-N 2 2 374.550 4.250 20 0 FIADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1cccs1 ZINC000093644661 1125472216 /nfs/dbraw/zinc/47/22/16/1125472216.db2.gz QPQBZCHXQIJQID-SJLPKXTDSA-N 2 2 374.550 4.250 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Cl)c1F ZINC000763539962 1125550402 /nfs/dbraw/zinc/55/04/02/1125550402.db2.gz SAIVTDYAZCZOJU-CRAIPNDOSA-N 2 2 354.897 4.163 20 0 FIADLP c1ccc(COCCC2(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000274619428 1079595983 /nfs/dbraw/zinc/59/59/83/1079595983.db2.gz WAZQZRMCWUREKH-UHFFFAOYSA-N 2 2 365.521 4.027 20 0 FIADLP Fc1ccc2nc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)sc2c1 ZINC000683202297 1079943510 /nfs/dbraw/zinc/94/35/10/1079943510.db2.gz BZNZOEIRKOZWLE-KRWDZBQOSA-N 2 2 369.509 4.437 20 0 FIADLP Fc1ccc2nc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)sc2c1 ZINC000683202297 1079943514 /nfs/dbraw/zinc/94/35/14/1079943514.db2.gz BZNZOEIRKOZWLE-KRWDZBQOSA-N 2 2 369.509 4.437 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1nc2ccc(F)cc2s1)c1ccccc1 ZINC000683202898 1079947253 /nfs/dbraw/zinc/94/72/53/1079947253.db2.gz MHVGJHYHGNWTFB-KRWDZBQOSA-N 2 2 366.465 4.243 20 0 FIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+]2CCC[C@@H](C)CC2)c1=S ZINC000748084268 1080201888 /nfs/dbraw/zinc/20/18/88/1080201888.db2.gz TUIKBENDHUJICQ-SJORKVTESA-N 2 2 367.607 4.306 20 0 FIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+]2CCC[C@@H](C)CC2)c1=S ZINC000748084268 1080201896 /nfs/dbraw/zinc/20/18/96/1080201896.db2.gz TUIKBENDHUJICQ-SJORKVTESA-N 2 2 367.607 4.306 20 0 FIADLP c1ccc(C([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc2)cc1 ZINC000180158875 1080463067 /nfs/dbraw/zinc/46/30/67/1080463067.db2.gz YGODOMBGCBSBDY-UHFFFAOYSA-N 2 2 372.512 4.398 20 0 FIADLP c1cc(-c2ccccc2)oc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000120846645 1080763680 /nfs/dbraw/zinc/76/36/80/1080763680.db2.gz HPQIFJUSMKJQTN-UHFFFAOYSA-N 2 2 362.473 4.069 20 0 FIADLP CCn1c2ccc(F)cc2nc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543989843 1080902563 /nfs/dbraw/zinc/90/25/63/1080902563.db2.gz CYCFOKSOOFXBAS-UHFFFAOYSA-N 2 2 369.488 4.084 20 0 FIADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1nc(-c2ccccc2)no1 ZINC000121128834 1080929029 /nfs/dbraw/zinc/92/90/29/1080929029.db2.gz GKVYOXIQEYZLKD-QGZVFWFLSA-N 2 2 364.493 4.429 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000655678743 1081113115 /nfs/dbraw/zinc/11/31/15/1081113115.db2.gz CEJOCFGWDHHXQV-FDDCHVKYSA-N 2 2 350.506 4.258 20 0 FIADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655703397 1081127579 /nfs/dbraw/zinc/12/75/79/1081127579.db2.gz PIHFWVWFNQAKCM-BEFAXECRSA-N 2 2 371.550 4.022 20 0 FIADLP Cc1cccc(C([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2cccc(C)c2)c1 ZINC000655721547 1081138928 /nfs/dbraw/zinc/13/89/28/1081138928.db2.gz PFDVNISHFQYVAW-HSZRJFAPSA-N 2 2 364.533 4.236 20 0 FIADLP CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000655724121 1081142305 /nfs/dbraw/zinc/14/23/05/1081142305.db2.gz VVTHOZDSDHFUGT-PXNSSMCTSA-N 2 2 352.469 4.039 20 0 FIADLP C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655735856 1081152879 /nfs/dbraw/zinc/15/28/79/1081152879.db2.gz KYRKYXMWWDXQLN-YQQAZPJKSA-N 2 2 370.459 4.040 20 0 FIADLP Cc1ccccc1C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1C ZINC000655755124 1081175892 /nfs/dbraw/zinc/17/58/92/1081175892.db2.gz PZTXDQRWULIUKS-NRFANRHFSA-N 2 2 364.533 4.236 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1nc(C)cs1 ZINC000150980829 1081273246 /nfs/dbraw/zinc/27/32/46/1081273246.db2.gz ATCKHCRSGWBSHV-IBGZPJMESA-N 2 2 361.530 4.338 20 0 FIADLP Cc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)c1Br ZINC001648886907 1081347681 /nfs/dbraw/zinc/34/76/81/1081347681.db2.gz RQOFFPPVLODOBW-INIZCTEOSA-N 2 2 364.331 4.467 20 0 FIADLP O[C@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)c1cccs1 ZINC000175829538 1081370553 /nfs/dbraw/zinc/37/05/53/1081370553.db2.gz YPNNKWUHBFSKIF-RBUKOAKNSA-N 2 2 353.491 4.022 20 0 FIADLP O[C@H](C[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)c1cccs1 ZINC000175829538 1081370556 /nfs/dbraw/zinc/37/05/56/1081370556.db2.gz YPNNKWUHBFSKIF-RBUKOAKNSA-N 2 2 353.491 4.022 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)c1ccccc1 ZINC000683818452 1081622175 /nfs/dbraw/zinc/62/21/75/1081622175.db2.gz INTASCVCKRRETC-HRTMPFAESA-N 2 2 361.489 4.041 20 0 FIADLP Fc1ccc([C@@H](C[C@H]2CCCO2)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000581004715 1082275078 /nfs/dbraw/zinc/27/50/78/1082275078.db2.gz QFTHAOXQINTYRV-FGZHOGPDSA-N 2 2 365.452 4.411 20 0 FIADLP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(OC2CCCC2)c1 ZINC000581542604 1082652308 /nfs/dbraw/zinc/65/23/08/1082652308.db2.gz TUCSKVBYQZXGCY-LEWJYISDSA-N 2 2 352.478 4.251 20 0 FIADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCC[C@H]2CCCF)CCOCC1)c1ccccc1 ZINC000510654484 1083222448 /nfs/dbraw/zinc/22/24/48/1083222448.db2.gz YGDCKZIGHNWKQC-JBACZVJFSA-N 2 2 362.533 4.394 20 0 FIADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000510658931 1083225096 /nfs/dbraw/zinc/22/50/96/1083225096.db2.gz VUCJXYAWGIAXMC-IRXDYDNUSA-N 2 2 373.491 4.496 20 0 FIADLP Clc1ccccc1[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294479 1083397879 /nfs/dbraw/zinc/39/78/79/1083397879.db2.gz HXQLDNFSWHGYLE-CUWPLCDZSA-N 2 2 362.945 4.209 20 0 FIADLP Clc1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)cc1Cl ZINC000658296147 1083398050 /nfs/dbraw/zinc/39/80/50/1083398050.db2.gz XSQAQRYVLPKPIO-LPHOPBHVSA-N 2 2 369.336 4.287 20 0 FIADLP c1ccc(C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCCCC2)cc1 ZINC000658296441 1083399330 /nfs/dbraw/zinc/39/93/30/1083399330.db2.gz ZUMIVKYHGRGTAL-PKTZIBPZSA-N 2 2 356.554 4.021 20 0 FIADLP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295414 1083399375 /nfs/dbraw/zinc/39/93/75/1083399375.db2.gz SUZJCQUZDNSJHR-LEWJYISDSA-N 2 2 364.961 4.140 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000548487953 1083490628 /nfs/dbraw/zinc/49/06/28/1083490628.db2.gz GDCARKXTJHSJJE-NQIIRXRSSA-N 2 2 367.537 4.259 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000548487953 1083490630 /nfs/dbraw/zinc/49/06/30/1083490630.db2.gz GDCARKXTJHSJJE-NQIIRXRSSA-N 2 2 367.537 4.259 20 0 FIADLP CC(C)n1cc([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000510960185 1083538761 /nfs/dbraw/zinc/53/87/61/1083538761.db2.gz QNLJBAALVOQLQO-NQIIRXRSSA-N 2 2 354.542 4.415 20 0 FIADLP CC(C)n1cc([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000510960185 1083538770 /nfs/dbraw/zinc/53/87/70/1083538770.db2.gz QNLJBAALVOQLQO-NQIIRXRSSA-N 2 2 354.542 4.415 20 0 FIADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(-c2cnn(C)c2)c1 ZINC000569747960 1083648772 /nfs/dbraw/zinc/64/87/72/1083648772.db2.gz DHMRVEFGVGSWAT-QHCPKHFHSA-N 2 2 374.532 4.150 20 0 FIADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c(-c2cnn(C)c2)c1 ZINC000569747960 1083648780 /nfs/dbraw/zinc/64/87/80/1083648780.db2.gz DHMRVEFGVGSWAT-QHCPKHFHSA-N 2 2 374.532 4.150 20 0 FIADLP C[C@@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000548509183 1083946262 /nfs/dbraw/zinc/94/62/62/1083946262.db2.gz LZJOEBMKAIBROC-LBPRGKRZSA-N 2 2 357.458 4.008 20 0 FIADLP CCn1nc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c2ccccc21 ZINC000472036644 1084132695 /nfs/dbraw/zinc/13/26/95/1084132695.db2.gz YWMIMTPUXIFZTC-UHFFFAOYSA-N 2 2 362.521 4.119 20 0 FIADLP C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001167504290 1084141378 /nfs/dbraw/zinc/14/13/78/1084141378.db2.gz JLYPVFBJNWAARU-FDDCHVKYSA-N 2 2 368.496 4.241 20 0 FIADLP C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001167504290 1084141388 /nfs/dbraw/zinc/14/13/88/1084141388.db2.gz JLYPVFBJNWAARU-FDDCHVKYSA-N 2 2 368.496 4.241 20 0 FIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000472492483 1084289012 /nfs/dbraw/zinc/28/90/12/1084289012.db2.gz BWBUSUFEKKJEDL-OAHLLOKOSA-N 2 2 357.325 4.036 20 0 FIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000472492483 1084289026 /nfs/dbraw/zinc/28/90/26/1084289026.db2.gz BWBUSUFEKKJEDL-OAHLLOKOSA-N 2 2 357.325 4.036 20 0 FIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000472492483 1084289040 /nfs/dbraw/zinc/28/90/40/1084289040.db2.gz BWBUSUFEKKJEDL-OAHLLOKOSA-N 2 2 357.325 4.036 20 0 FIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000472492483 1084289048 /nfs/dbraw/zinc/28/90/48/1084289048.db2.gz BWBUSUFEKKJEDL-OAHLLOKOSA-N 2 2 357.325 4.036 20 0 FIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000472492470 1084289137 /nfs/dbraw/zinc/28/91/37/1084289137.db2.gz BWBUSUFEKKJEDL-HNNXBMFYSA-N 2 2 357.325 4.036 20 0 FIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000472492470 1084289148 /nfs/dbraw/zinc/28/91/48/1084289148.db2.gz BWBUSUFEKKJEDL-HNNXBMFYSA-N 2 2 357.325 4.036 20 0 FIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000472492470 1084289160 /nfs/dbraw/zinc/28/91/60/1084289160.db2.gz BWBUSUFEKKJEDL-HNNXBMFYSA-N 2 2 357.325 4.036 20 0 FIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000472492470 1084289172 /nfs/dbraw/zinc/28/91/72/1084289172.db2.gz BWBUSUFEKKJEDL-HNNXBMFYSA-N 2 2 357.325 4.036 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC001167512834 1084376021 /nfs/dbraw/zinc/37/60/21/1084376021.db2.gz QPLAIOGNKWOVQW-HNAYVOBHSA-N 2 2 365.359 4.490 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC001167512834 1084376034 /nfs/dbraw/zinc/37/60/34/1084376034.db2.gz QPLAIOGNKWOVQW-HNAYVOBHSA-N 2 2 365.359 4.490 20 0 FIADLP CC(C)n1ccnc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000657312262 1084440952 /nfs/dbraw/zinc/44/09/52/1084440952.db2.gz DVXYVTVATNJWIH-KDURUIRLSA-N 2 2 354.542 4.232 20 0 FIADLP CC(C)n1ccnc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000657312262 1084440955 /nfs/dbraw/zinc/44/09/55/1084440955.db2.gz DVXYVTVATNJWIH-KDURUIRLSA-N 2 2 354.542 4.232 20 0 FIADLP CSc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000173331474 1084614041 /nfs/dbraw/zinc/61/40/41/1084614041.db2.gz VGFPRZFJDLCSLT-QGZVFWFLSA-N 2 2 356.535 4.092 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)[C@H]1CC1(C)C ZINC000414143277 1084686948 /nfs/dbraw/zinc/68/69/48/1084686948.db2.gz IQESQNYGSMERGJ-NHCUHLMSSA-N 2 2 357.542 4.024 20 0 FIADLP Cn1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(-c2cccs2)n1 ZINC000582327936 1084872086 /nfs/dbraw/zinc/87/20/86/1084872086.db2.gz DULFJASROHRBPJ-UHFFFAOYSA-N 2 2 369.538 4.038 20 0 FIADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000472577596 1084991518 /nfs/dbraw/zinc/99/15/18/1084991518.db2.gz COGFJQNSANLRLT-CRAIPNDOSA-N 2 2 351.332 4.318 20 0 FIADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000472577596 1084991520 /nfs/dbraw/zinc/99/15/20/1084991520.db2.gz COGFJQNSANLRLT-CRAIPNDOSA-N 2 2 351.332 4.318 20 0 FIADLP C[NH2+]C1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cccc(C)c2)CC1 ZINC000582605980 1085222546 /nfs/dbraw/zinc/22/25/46/1085222546.db2.gz BRDUKNRGYNFHAT-UHFFFAOYSA-N 2 2 374.532 4.091 20 0 FIADLP CCCOc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc1OC ZINC000075758095 1085545893 /nfs/dbraw/zinc/54/58/93/1085545893.db2.gz LCVVVUGGRNMSLZ-UHFFFAOYSA-N 2 2 365.477 4.019 20 0 FIADLP COc1cc2cccnc2c(N(c2cc[nH+]c(C)c2F)[C@@H](C)CCC[NH3+])c1 ZINC001167615927 1085713048 /nfs/dbraw/zinc/71/30/48/1085713048.db2.gz YWHBZSDGPLCNTB-AWEZNQCLSA-N 2 2 368.456 4.351 20 0 FIADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)C1 ZINC000613821624 1085727436 /nfs/dbraw/zinc/72/74/36/1085727436.db2.gz UDBHFILXCVRRPV-GOSISDBHSA-N 2 2 374.488 4.357 20 0 FIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)C1 ZINC000613821624 1085727455 /nfs/dbraw/zinc/72/74/55/1085727455.db2.gz UDBHFILXCVRRPV-GOSISDBHSA-N 2 2 374.488 4.357 20 0 FIADLP Cc1cc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc(C(C)C)[nH+]1 ZINC000431491334 1085759704 /nfs/dbraw/zinc/75/97/04/1085759704.db2.gz UHSLYONBYDEGJD-UHFFFAOYSA-N 2 2 364.537 4.401 20 0 FIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)c1ccccc1 ZINC000582944703 1085946825 /nfs/dbraw/zinc/94/68/25/1085946825.db2.gz AQZDOLCZSSXIGF-YSIASYRMSA-N 2 2 354.542 4.165 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000582964112 1085970983 /nfs/dbraw/zinc/97/09/83/1085970983.db2.gz GQCSNJQEINNTAY-VXKWHMMOSA-N 2 2 350.506 4.161 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000582964112 1085970988 /nfs/dbraw/zinc/97/09/88/1085970988.db2.gz GQCSNJQEINNTAY-VXKWHMMOSA-N 2 2 350.506 4.161 20 0 FIADLP C[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000162442774 1086182503 /nfs/dbraw/zinc/18/25/03/1086182503.db2.gz MZXCCDKKEFTTDY-SFHVURJKSA-N 2 2 361.493 4.108 20 0 FIADLP Nc1cccc2c1cc[nH+]c2NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000663401261 1086516108 /nfs/dbraw/zinc/51/61/08/1086516108.db2.gz HMGSMUSJULASTR-UHFFFAOYSA-N 2 2 368.431 4.172 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCOC1 ZINC000165553093 1086537007 /nfs/dbraw/zinc/53/70/07/1086537007.db2.gz ONBUONGQEPPASL-XMSQKQJNSA-N 2 2 361.489 4.113 20 0 FIADLP Brc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCCS2 ZINC000663435246 1086540210 /nfs/dbraw/zinc/54/02/10/1086540210.db2.gz ANGRPGDKNXCDDR-HNNXBMFYSA-N 2 2 366.328 4.253 20 0 FIADLP Cc1[nH+]cn(Cc2ccc(Br)cc2Cn2c[nH+]c(C)c2C)c1C ZINC000278198228 1086557619 /nfs/dbraw/zinc/55/76/19/1086557619.db2.gz QQAYQLWNRIRZJN-UHFFFAOYSA-N 2 2 373.298 4.172 20 0 FIADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001648931035 1086623397 /nfs/dbraw/zinc/62/33/97/1086623397.db2.gz QHXSLCYFDIWALM-UNMCSNQZSA-N 2 2 374.569 4.092 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cc2n(n1)CCCC2 ZINC000647289689 1086647774 /nfs/dbraw/zinc/64/77/74/1086647774.db2.gz DGZASVCLEXEZPN-TWOQFEAHSA-N 2 2 358.555 4.015 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cc2n(n1)CCCC2 ZINC000647289689 1086647779 /nfs/dbraw/zinc/64/77/79/1086647779.db2.gz DGZASVCLEXEZPN-TWOQFEAHSA-N 2 2 358.555 4.015 20 0 FIADLP C[NH+](C)Cc1cnc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)s1 ZINC000512068581 1086727700 /nfs/dbraw/zinc/72/77/00/1086727700.db2.gz RXOOBKYMJZDWOQ-UHFFFAOYSA-N 2 2 367.522 4.017 20 0 FIADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CCCO1 ZINC000432422484 1086747130 /nfs/dbraw/zinc/74/71/30/1086747130.db2.gz UFNRRIPGBHXAQI-DYVFJYSZSA-N 2 2 357.325 4.071 20 0 FIADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CCCO1 ZINC000432422484 1086747141 /nfs/dbraw/zinc/74/71/41/1086747141.db2.gz UFNRRIPGBHXAQI-DYVFJYSZSA-N 2 2 357.325 4.071 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(Oc3ccccc3)cc2)s1 ZINC000512084726 1086751101 /nfs/dbraw/zinc/75/11/01/1086751101.db2.gz QWRFVIDUGLAXIV-UHFFFAOYSA-N 2 2 353.491 4.287 20 0 FIADLP C[N@@H+]1CCC[C@@H](CNc2[nH+]ccc3c(N)cccc32)[C@H]1c1cccs1 ZINC000663659810 1086791281 /nfs/dbraw/zinc/79/12/81/1086791281.db2.gz HSSHPZJWCPMFJW-LIRRHRJNSA-N 2 2 352.507 4.374 20 0 FIADLP C[N@H+]1CCC[C@@H](CNc2[nH+]ccc3c(N)cccc32)[C@H]1c1cccs1 ZINC000663659810 1086791288 /nfs/dbraw/zinc/79/12/88/1086791288.db2.gz HSSHPZJWCPMFJW-LIRRHRJNSA-N 2 2 352.507 4.374 20 0 FIADLP Brc1ccc(-c2ccc(C[NH2+]CCC[NH+]3CCCC3)o2)cc1 ZINC000512128424 1086797266 /nfs/dbraw/zinc/79/72/66/1086797266.db2.gz CTTSFYMTEHUHCY-UHFFFAOYSA-N 2 2 363.299 4.285 20 0 FIADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000236827387 1086866006 /nfs/dbraw/zinc/86/60/06/1086866006.db2.gz UQWGOZCBXCHCFO-CYBMUJFWSA-N 2 2 369.456 4.260 20 0 FIADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000236827387 1086866022 /nfs/dbraw/zinc/86/60/22/1086866022.db2.gz UQWGOZCBXCHCFO-CYBMUJFWSA-N 2 2 369.456 4.260 20 0 FIADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCn2cc[nH+]c2)CCC3)cc1 ZINC000151139492 1086955514 /nfs/dbraw/zinc/95/55/14/1086955514.db2.gz NKOUCLNTZPMUIR-QGZVFWFLSA-N 2 2 368.506 4.073 20 0 FIADLP FC(F)Oc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427886875 1087016247 /nfs/dbraw/zinc/01/62/47/1087016247.db2.gz NXOATZZNDOVFKR-PXNSSMCTSA-N 2 2 369.415 4.179 20 0 FIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Br)c(Cl)c1 ZINC000657845178 1087291599 /nfs/dbraw/zinc/29/15/99/1087291599.db2.gz QSXZKOXQCLHNOD-GFCCVEGCSA-N 2 2 356.695 4.430 20 0 FIADLP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667030 1087413438 /nfs/dbraw/zinc/41/34/38/1087413438.db2.gz QVLBBGYXEFCHNQ-ROUUACIJSA-N 2 2 353.510 4.357 20 0 FIADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OCCC(C)C ZINC000092072916 1087437960 /nfs/dbraw/zinc/43/79/60/1087437960.db2.gz LTGBQRIAXCSMLT-SFHVURJKSA-N 2 2 357.498 4.223 20 0 FIADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OCCC(C)C ZINC000092072916 1087437962 /nfs/dbraw/zinc/43/79/62/1087437962.db2.gz LTGBQRIAXCSMLT-SFHVURJKSA-N 2 2 357.498 4.223 20 0 FIADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)C(C)(C)C(F)F)CCOCC1)c1ccccc1 ZINC000657888420 1087545971 /nfs/dbraw/zinc/54/59/71/1087545971.db2.gz LYMIWDZEPHFVOE-HOTGVXAUSA-N 2 2 354.485 4.156 20 0 FIADLP COc1ccc(-c2cc(C[NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)on2)cc1 ZINC000685485862 1087581169 /nfs/dbraw/zinc/58/11/69/1087581169.db2.gz TVBFKQMZFNVCNW-MRXNPFEDSA-N 2 2 374.444 4.387 20 0 FIADLP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000658018838 1087699542 /nfs/dbraw/zinc/69/95/42/1087699542.db2.gz GNJAAPSUIYUIQC-JQWIXIFHSA-N 2 2 357.807 4.160 20 0 FIADLP COc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(Cl)c1 ZINC000424264484 1087886915 /nfs/dbraw/zinc/88/69/15/1087886915.db2.gz IMICAABLEUMWEI-INIZCTEOSA-N 2 2 369.896 4.487 20 0 FIADLP c1csc([C@H](Cc2ccncc2)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000424274629 1087907102 /nfs/dbraw/zinc/90/71/02/1087907102.db2.gz WGEQCFZAAGWZMA-SFHVURJKSA-N 2 2 352.507 4.304 20 0 FIADLP CC(C)([NH3+])C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414800861 1088087268 /nfs/dbraw/zinc/08/72/68/1088087268.db2.gz IYQMNDPWAOJPHA-UHFFFAOYSA-N 2 2 366.292 4.073 20 0 FIADLP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000414617340 1088902873 /nfs/dbraw/zinc/90/28/73/1088902873.db2.gz LFHWJPGEFDHTHM-NVXWUHKLSA-N 2 2 357.502 4.090 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)c2cccc(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434727440 1088976943 /nfs/dbraw/zinc/97/69/43/1088976943.db2.gz FXXHZHGWKIOTJW-DJPFJPOOSA-N 2 2 358.505 4.025 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)c2cccc(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434727440 1088976947 /nfs/dbraw/zinc/97/69/47/1088976947.db2.gz FXXHZHGWKIOTJW-DJPFJPOOSA-N 2 2 358.505 4.025 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H](C)c2cccc(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434727440 1088976952 /nfs/dbraw/zinc/97/69/52/1088976952.db2.gz FXXHZHGWKIOTJW-DJPFJPOOSA-N 2 2 358.505 4.025 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H](C)c2cccc(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434727440 1088976953 /nfs/dbraw/zinc/97/69/53/1088976953.db2.gz FXXHZHGWKIOTJW-DJPFJPOOSA-N 2 2 358.505 4.025 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(Br)o2)cc1 ZINC000188738831 1088979569 /nfs/dbraw/zinc/97/95/69/1088979569.db2.gz XCLQCYJXQURXKI-GFCCVEGCSA-N 2 2 360.255 4.387 20 0 FIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)cc1 ZINC000414851731 1088988594 /nfs/dbraw/zinc/98/85/94/1088988594.db2.gz UUMXYMPTIAQQCH-IBGZPJMESA-N 2 2 354.523 4.062 20 0 FIADLP COc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1Cl ZINC000549164124 1089080562 /nfs/dbraw/zinc/08/05/62/1089080562.db2.gz DFGHFCBPWOZASQ-LJQANCHMSA-N 2 2 373.928 4.134 20 0 FIADLP COc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1Cl ZINC000549164124 1089080579 /nfs/dbraw/zinc/08/05/79/1089080579.db2.gz DFGHFCBPWOZASQ-LJQANCHMSA-N 2 2 373.928 4.134 20 0 FIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000415069366 1089121918 /nfs/dbraw/zinc/12/19/18/1089121918.db2.gz SGJSUMMQJMWBOK-QHCPKHFHSA-N 2 2 361.489 4.013 20 0 FIADLP C[C@H]1CCc2nc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)sc2C1 ZINC000435061357 1089250020 /nfs/dbraw/zinc/25/00/20/1089250020.db2.gz PNPFAOQZWZQOBA-HNNXBMFYSA-N 2 2 370.566 4.180 20 0 FIADLP C[C@H]1C[N@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC[C@H]1[NH3+] ZINC000435373358 1089566596 /nfs/dbraw/zinc/56/65/96/1089566596.db2.gz MRZOFIWAHSLQOS-KBXCAEBGSA-N 2 2 360.933 4.128 20 0 FIADLP C[C@H]1C[N@@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC[C@H]1[NH3+] ZINC000435373358 1089566606 /nfs/dbraw/zinc/56/66/06/1089566606.db2.gz MRZOFIWAHSLQOS-KBXCAEBGSA-N 2 2 360.933 4.128 20 0 FIADLP C[C@@H]1C[N@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC[C@H]1[NH3+] ZINC000435373361 1089566996 /nfs/dbraw/zinc/56/69/96/1089566996.db2.gz MRZOFIWAHSLQOS-RDTXWAMCSA-N 2 2 360.933 4.128 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC[C@H]1[NH3+] ZINC000435373361 1089567006 /nfs/dbraw/zinc/56/70/06/1089567006.db2.gz MRZOFIWAHSLQOS-RDTXWAMCSA-N 2 2 360.933 4.128 20 0 FIADLP Cc1cc(Cl)ccc1C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435423535 1089640828 /nfs/dbraw/zinc/64/08/28/1089640828.db2.gz UUQGTWZESIDKCB-KRWDZBQOSA-N 2 2 361.942 4.249 20 0 FIADLP Cc1cc(Cl)ccc1C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435423535 1089640848 /nfs/dbraw/zinc/64/08/48/1089640848.db2.gz UUQGTWZESIDKCB-KRWDZBQOSA-N 2 2 361.942 4.249 20 0 FIADLP Cc1ncsc1C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC000435436213 1089659414 /nfs/dbraw/zinc/65/94/14/1089659414.db2.gz FBNHCBBGXNPCIQ-HNNXBMFYSA-N 2 2 369.456 4.082 20 0 FIADLP Cc1ncsc1C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC000435436213 1089659421 /nfs/dbraw/zinc/65/94/21/1089659421.db2.gz FBNHCBBGXNPCIQ-HNNXBMFYSA-N 2 2 369.456 4.082 20 0 FIADLP CN(c1ccccc1)c1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000435783106 1089944999 /nfs/dbraw/zinc/94/49/99/1089944999.db2.gz VHTSXNANOKJLJY-UHFFFAOYSA-N 2 2 369.472 4.325 20 0 FIADLP COc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2ccc(Cl)cc2)cc1C ZINC000179992463 1090141186 /nfs/dbraw/zinc/14/11/86/1090141186.db2.gz DBBPXMDDCPQIGU-FQEVSTJZSA-N 2 2 355.869 4.233 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000181586278 1090294021 /nfs/dbraw/zinc/29/40/21/1090294021.db2.gz BOFLUFWVDCNNCI-LAUBAEHRSA-N 2 2 351.494 4.111 20 0 FIADLP Oc1ccc2c(c1)[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)CCC2 ZINC000651358257 1090305036 /nfs/dbraw/zinc/30/50/36/1090305036.db2.gz KPUSEXKDCPJZCU-IBGZPJMESA-N 2 2 353.853 4.399 20 0 FIADLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cnc5ccccc5n4)C3)C2)cc1 ZINC000659980327 1090352941 /nfs/dbraw/zinc/35/29/41/1090352941.db2.gz TZFPPCMNMOOOOY-XMMPIXPASA-N 2 2 372.516 4.118 20 0 FIADLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cnc5ccccc5n4)C3)C2)cc1 ZINC000659980327 1090352947 /nfs/dbraw/zinc/35/29/47/1090352947.db2.gz TZFPPCMNMOOOOY-XMMPIXPASA-N 2 2 372.516 4.118 20 0 FIADLP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cnc5ccccc5n4)C3)C2)cc1 ZINC000659980327 1090352956 /nfs/dbraw/zinc/35/29/56/1090352956.db2.gz TZFPPCMNMOOOOY-XMMPIXPASA-N 2 2 372.516 4.118 20 0 FIADLP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cnc5ccccc5n4)C3)C2)cc1 ZINC000659980327 1090352963 /nfs/dbraw/zinc/35/29/63/1090352963.db2.gz TZFPPCMNMOOOOY-XMMPIXPASA-N 2 2 372.516 4.118 20 0 FIADLP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](Cc4cnc5ccccc5n4)CC[C@@H]32)cc1 ZINC000660011639 1090406104 /nfs/dbraw/zinc/40/61/04/1090406104.db2.gz PRSOBPTZYYHOFW-RDPSFJRHSA-N 2 2 372.516 4.116 20 0 FIADLP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](Cc4cnc5ccccc5n4)CC[C@@H]32)cc1 ZINC000660011639 1090406122 /nfs/dbraw/zinc/40/61/22/1090406122.db2.gz PRSOBPTZYYHOFW-RDPSFJRHSA-N 2 2 372.516 4.116 20 0 FIADLP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](Cc4cnc5ccccc5n4)CC[C@@H]32)cc1 ZINC000660011639 1090406125 /nfs/dbraw/zinc/40/61/25/1090406125.db2.gz PRSOBPTZYYHOFW-RDPSFJRHSA-N 2 2 372.516 4.116 20 0 FIADLP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](Cc4cnc5ccccc5n4)CC[C@@H]32)cc1 ZINC000660011639 1090406138 /nfs/dbraw/zinc/40/61/38/1090406138.db2.gz PRSOBPTZYYHOFW-RDPSFJRHSA-N 2 2 372.516 4.116 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)cc1C ZINC000363936184 1090506767 /nfs/dbraw/zinc/50/67/67/1090506767.db2.gz DZEYWUWRYTXNGN-DOTOQJQBSA-N 2 2 351.454 4.017 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)cc1C ZINC000363936184 1090506776 /nfs/dbraw/zinc/50/67/76/1090506776.db2.gz DZEYWUWRYTXNGN-DOTOQJQBSA-N 2 2 351.454 4.017 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1c1cccs1 ZINC000417333076 1090823544 /nfs/dbraw/zinc/82/35/44/1090823544.db2.gz PIFYIRAXDAMPRQ-FYZZASKESA-N 2 2 370.562 4.121 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1c1cccs1 ZINC000417333076 1090823551 /nfs/dbraw/zinc/82/35/51/1090823551.db2.gz PIFYIRAXDAMPRQ-FYZZASKESA-N 2 2 370.562 4.121 20 0 FIADLP FC(F)(F)Oc1ccccc1C1(F)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000500127775 1091054634 /nfs/dbraw/zinc/05/46/34/1091054634.db2.gz XJQQGIIDHBKSTK-UHFFFAOYSA-N 2 2 371.378 4.133 20 0 FIADLP C[C@@H]([NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)c1ccnn1C ZINC000390579863 1091282508 /nfs/dbraw/zinc/28/25/08/1091282508.db2.gz HYZTUNLQVPMOOI-HXUWFJFHSA-N 2 2 362.521 4.163 20 0 FIADLP COc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1Cl ZINC000660481780 1091605654 /nfs/dbraw/zinc/60/56/54/1091605654.db2.gz YSYKDDPMUBQJNS-INIZCTEOSA-N 2 2 359.901 4.261 20 0 FIADLP COc1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1Cl ZINC000660481780 1091605662 /nfs/dbraw/zinc/60/56/62/1091605662.db2.gz YSYKDDPMUBQJNS-INIZCTEOSA-N 2 2 359.901 4.261 20 0 FIADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000320064565 1091839090 /nfs/dbraw/zinc/83/90/90/1091839090.db2.gz VESIHTNXJVSTPC-OAHLLOKOSA-N 2 2 370.294 4.356 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000512195711 1091887335 /nfs/dbraw/zinc/88/73/35/1091887335.db2.gz LYXBXBOVADJRQL-MSOLQXFVSA-N 2 2 370.516 4.302 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000512195711 1091887351 /nfs/dbraw/zinc/88/73/51/1091887351.db2.gz LYXBXBOVADJRQL-MSOLQXFVSA-N 2 2 370.516 4.302 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000512195711 1091887360 /nfs/dbraw/zinc/88/73/60/1091887360.db2.gz LYXBXBOVADJRQL-MSOLQXFVSA-N 2 2 370.516 4.302 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000512195711 1091887364 /nfs/dbraw/zinc/88/73/64/1091887364.db2.gz LYXBXBOVADJRQL-MSOLQXFVSA-N 2 2 370.516 4.302 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000512211541 1091914774 /nfs/dbraw/zinc/91/47/74/1091914774.db2.gz IBFWLROGAFPBTH-MSOLQXFVSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000512211541 1091914775 /nfs/dbraw/zinc/91/47/75/1091914775.db2.gz IBFWLROGAFPBTH-MSOLQXFVSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000512211541 1091914777 /nfs/dbraw/zinc/91/47/77/1091914777.db2.gz IBFWLROGAFPBTH-MSOLQXFVSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000512211541 1091914778 /nfs/dbraw/zinc/91/47/78/1091914778.db2.gz IBFWLROGAFPBTH-MSOLQXFVSA-N 2 2 370.566 4.292 20 0 FIADLP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000512354818 1092126148 /nfs/dbraw/zinc/12/61/48/1092126148.db2.gz LDQOYGNGPVQQGA-QGZVFWFLSA-N 2 2 358.505 4.342 20 0 FIADLP CCCCOc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OCC ZINC000512365157 1092164073 /nfs/dbraw/zinc/16/40/73/1092164073.db2.gz SUVFNCIRJAOZSB-UHFFFAOYSA-N 2 2 357.498 4.367 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)CCC(=O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000512431986 1092314368 /nfs/dbraw/zinc/31/43/68/1092314368.db2.gz CJAWHIRDDDLSLY-XMSQKQJNSA-N 2 2 368.496 4.383 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)CCC(=O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000512431986 1092314384 /nfs/dbraw/zinc/31/43/84/1092314384.db2.gz CJAWHIRDDDLSLY-XMSQKQJNSA-N 2 2 368.496 4.383 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)c2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000512431986 1092314397 /nfs/dbraw/zinc/31/43/97/1092314397.db2.gz CJAWHIRDDDLSLY-XMSQKQJNSA-N 2 2 368.496 4.383 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)c2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000512431986 1092314409 /nfs/dbraw/zinc/31/44/09/1092314409.db2.gz CJAWHIRDDDLSLY-XMSQKQJNSA-N 2 2 368.496 4.383 20 0 FIADLP COC(=O)c1cc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)oc1C ZINC000432841098 1092588786 /nfs/dbraw/zinc/58/87/86/1092588786.db2.gz SMKXLDQPZZPHAF-ZIAGYGMSSA-N 2 2 367.449 4.281 20 0 FIADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245560441 1092664168 /nfs/dbraw/zinc/66/41/68/1092664168.db2.gz BXBOFWNLZCLYLS-CKEIUWERSA-N 2 2 371.872 4.231 20 0 FIADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245560441 1092664178 /nfs/dbraw/zinc/66/41/78/1092664178.db2.gz BXBOFWNLZCLYLS-CKEIUWERSA-N 2 2 371.872 4.231 20 0 FIADLP CSc1ccccc1[C@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000442865033 1092810089 /nfs/dbraw/zinc/81/00/89/1092810089.db2.gz HJLNZLXLVOVGQG-RDJZCZTQSA-N 2 2 356.539 4.117 20 0 FIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143550136 1092879723 /nfs/dbraw/zinc/87/97/23/1092879723.db2.gz GWLMBGKIAMNUMP-HNNXBMFYSA-N 2 2 370.346 4.081 20 0 FIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143550136 1092879730 /nfs/dbraw/zinc/87/97/30/1092879730.db2.gz GWLMBGKIAMNUMP-HNNXBMFYSA-N 2 2 370.346 4.081 20 0 FIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc(Br)c1 ZINC000544349654 1092884550 /nfs/dbraw/zinc/88/45/50/1092884550.db2.gz IXOUOWIKTAIWAE-UHFFFAOYSA-N 2 2 362.296 4.328 20 0 FIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc(Br)c1 ZINC000544349654 1092884562 /nfs/dbraw/zinc/88/45/62/1092884562.db2.gz IXOUOWIKTAIWAE-UHFFFAOYSA-N 2 2 362.296 4.328 20 0 FIADLP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3c(F)ccc(O)c3F)cc2)CC1 ZINC000509764161 1092926324 /nfs/dbraw/zinc/92/63/24/1092926324.db2.gz AZUQAYQZXLSQSJ-UHFFFAOYSA-N 2 2 360.448 4.192 20 0 FIADLP c1cn(-c2ccc(C[NH2+]Cc3ccncc3OCc3ccccc3)cc2)c[nH+]1 ZINC000512574740 1092953170 /nfs/dbraw/zinc/95/31/70/1092953170.db2.gz SVTCPTCQVBCTOP-UHFFFAOYSA-N 2 2 370.456 4.136 20 0 FIADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OC)c(OC)c1 ZINC000152103455 1092986207 /nfs/dbraw/zinc/98/62/07/1092986207.db2.gz LZTXMQBHFMVTQW-FQEVSTJZSA-N 2 2 365.477 4.190 20 0 FIADLP c1sc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1C1CC1 ZINC000512610965 1092989336 /nfs/dbraw/zinc/98/93/36/1092989336.db2.gz GQTPCBMLUAWHHH-ZCNNSNEGSA-N 2 2 367.562 4.411 20 0 FIADLP c1sc(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1C1CC1 ZINC000512610965 1092989339 /nfs/dbraw/zinc/98/93/39/1092989339.db2.gz GQTPCBMLUAWHHH-ZCNNSNEGSA-N 2 2 367.562 4.411 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000152116805 1092996726 /nfs/dbraw/zinc/99/67/26/1092996726.db2.gz SKELPXGWDGJRDC-LJQANCHMSA-N 2 2 371.488 4.027 20 0 FIADLP Cn1nccc1-c1ccccc1C[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000512682411 1093134449 /nfs/dbraw/zinc/13/44/49/1093134449.db2.gz GAOZANSXWKLORT-XMMPIXPASA-N 2 2 374.532 4.087 20 0 FIADLP Cn1nccc1-c1ccccc1C[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000512682411 1093134453 /nfs/dbraw/zinc/13/44/53/1093134453.db2.gz GAOZANSXWKLORT-XMMPIXPASA-N 2 2 374.532 4.087 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168020361 1093213977 /nfs/dbraw/zinc/21/39/77/1093213977.db2.gz MRBJFYRHVJPWEJ-HATOLVCRSA-N 3 2 355.570 4.035 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020361 1093213984 /nfs/dbraw/zinc/21/39/84/1093213984.db2.gz MRBJFYRHVJPWEJ-HATOLVCRSA-N 3 2 355.570 4.035 20 0 FIADLP COc1cc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)ccc1SC ZINC000152254223 1093227000 /nfs/dbraw/zinc/22/70/00/1093227000.db2.gz UVZZUHCPJZTOOT-OAHLLOKOSA-N 2 2 353.491 4.454 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000645162166 1093328782 /nfs/dbraw/zinc/32/87/82/1093328782.db2.gz KAKCGLJMRNHNLI-JIPZTSHUSA-N 2 2 358.913 4.292 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000645162166 1093328793 /nfs/dbraw/zinc/32/87/93/1093328793.db2.gz KAKCGLJMRNHNLI-JIPZTSHUSA-N 2 2 358.913 4.292 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168023849 1093368497 /nfs/dbraw/zinc/36/84/97/1093368497.db2.gz YIXZBYDNGHRJQH-YVCBRDFCSA-N 2 2 372.940 4.405 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023849 1093368509 /nfs/dbraw/zinc/36/85/09/1093368509.db2.gz YIXZBYDNGHRJQH-YVCBRDFCSA-N 2 2 372.940 4.405 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2cccs2)oc1C ZINC000191483114 1093396704 /nfs/dbraw/zinc/39/67/04/1093396704.db2.gz YNRJCKUYCGCBJS-UHFFFAOYSA-N 2 2 358.511 4.383 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2cccs2)oc1C ZINC000191483114 1093396715 /nfs/dbraw/zinc/39/67/15/1093396715.db2.gz YNRJCKUYCGCBJS-UHFFFAOYSA-N 2 2 358.511 4.383 20 0 FIADLP C[C@@H]1CC([NH2+][C@@H](CO)c2cc(F)cc(F)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168025030 1093426939 /nfs/dbraw/zinc/42/69/39/1093426939.db2.gz AJSLOJGOVZBKKJ-MCFFVMPBSA-N 2 2 374.475 4.029 20 0 FIADLP COCc1ccccc1/C=C(/C)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000509840038 1093532296 /nfs/dbraw/zinc/53/22/96/1093532296.db2.gz OXCIQSQMOLXJHY-UNOMPAQXSA-N 2 2 361.489 4.271 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000433306791 1093573034 /nfs/dbraw/zinc/57/30/34/1093573034.db2.gz TYESOKGQTQKMPU-QFIPXVFZSA-N 2 2 361.489 4.174 20 0 FIADLP COc1ccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c(F)c1 ZINC001168030801 1093595523 /nfs/dbraw/zinc/59/55/23/1093595523.db2.gz XQXSSVCUKHFYTG-IRXDYDNUSA-N 2 2 356.485 4.366 20 0 FIADLP COc1ccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c(F)c1 ZINC001168030798 1093596174 /nfs/dbraw/zinc/59/61/74/1093596174.db2.gz XQXSSVCUKHFYTG-IAGOWNOFSA-N 2 2 356.485 4.366 20 0 FIADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000474477260 1093823666 /nfs/dbraw/zinc/82/36/66/1093823666.db2.gz RKXDCDYSINPXEQ-DLBZAZTESA-N 2 2 365.477 4.171 20 0 FIADLP c1ccc(C[NH+]2CCC([NH2+][C@@H](Cc3ccccn3)c3cccnc3)CC2)cc1 ZINC000513500333 1094172826 /nfs/dbraw/zinc/17/28/26/1094172826.db2.gz LZPXMPOPSDWZOJ-DEOSSOPVSA-N 2 2 372.516 4.015 20 0 FIADLP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc2cccnc12 ZINC000434026035 1094251774 /nfs/dbraw/zinc/25/17/74/1094251774.db2.gz RCWHPMOPEDRSMW-GMAHTHKFSA-N 2 2 360.505 4.063 20 0 FIADLP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc2cccnc12 ZINC000434026035 1094251777 /nfs/dbraw/zinc/25/17/77/1094251777.db2.gz RCWHPMOPEDRSMW-GMAHTHKFSA-N 2 2 360.505 4.063 20 0 FIADLP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc2cccnc12 ZINC000434026035 1094251780 /nfs/dbraw/zinc/25/17/80/1094251780.db2.gz RCWHPMOPEDRSMW-GMAHTHKFSA-N 2 2 360.505 4.063 20 0 FIADLP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc2cccnc12 ZINC000434026035 1094251783 /nfs/dbraw/zinc/25/17/83/1094251783.db2.gz RCWHPMOPEDRSMW-GMAHTHKFSA-N 2 2 360.505 4.063 20 0 FIADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCSc4ccccc43)C2)cc1 ZINC000191835159 1094338452 /nfs/dbraw/zinc/33/84/52/1094338452.db2.gz FHYUHVLWIDXNBR-TZIWHRDSSA-N 2 2 368.546 4.104 20 0 FIADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCSc4ccccc43)C2)cc1 ZINC000191835159 1094338455 /nfs/dbraw/zinc/33/84/55/1094338455.db2.gz FHYUHVLWIDXNBR-TZIWHRDSSA-N 2 2 368.546 4.104 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCC3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168037270 1094361510 /nfs/dbraw/zinc/36/15/10/1094361510.db2.gz XHECMJQMRBQWGF-IRJINJETSA-N 3 2 369.597 4.282 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168037270 1094361519 /nfs/dbraw/zinc/36/15/19/1094361519.db2.gz XHECMJQMRBQWGF-IRJINJETSA-N 3 2 369.597 4.282 20 0 FIADLP C[NH+](C)Cc1cccc(C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)c1 ZINC000544367635 1094528582 /nfs/dbraw/zinc/52/85/82/1094528582.db2.gz FYJCXYBOWQAWIW-QFIPXVFZSA-N 2 2 367.443 4.301 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420365953 1094901267 /nfs/dbraw/zinc/90/12/67/1094901267.db2.gz TXNVEQATEZMMAQ-HXUWFJFHSA-N 2 2 359.558 4.369 20 0 FIADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000420946119 1095186590 /nfs/dbraw/zinc/18/65/90/1095186590.db2.gz AFWLPMBUATUFNX-KDURUIRLSA-N 2 2 370.459 4.072 20 0 FIADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000420946119 1095186598 /nfs/dbraw/zinc/18/65/98/1095186598.db2.gz AFWLPMBUATUFNX-KDURUIRLSA-N 2 2 370.459 4.072 20 0 FIADLP Fc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2ncccc12 ZINC000502345073 1095381628 /nfs/dbraw/zinc/38/16/28/1095381628.db2.gz KCLFUTOMZXIQMQ-KRWDZBQOSA-N 2 2 364.468 4.286 20 0 FIADLP Fc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2ncccc12 ZINC000502345073 1095381646 /nfs/dbraw/zinc/38/16/46/1095381646.db2.gz KCLFUTOMZXIQMQ-KRWDZBQOSA-N 2 2 364.468 4.286 20 0 FIADLP CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1OC ZINC000502329195 1095386639 /nfs/dbraw/zinc/38/66/39/1095386639.db2.gz ZNBKUDQFWBPRLA-SFHVURJKSA-N 2 2 369.509 4.006 20 0 FIADLP CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1OC ZINC000502329195 1095386661 /nfs/dbraw/zinc/38/66/61/1095386661.db2.gz ZNBKUDQFWBPRLA-SFHVURJKSA-N 2 2 369.509 4.006 20 0 FIADLP C[C@H]1CC([N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168048304 1095446914 /nfs/dbraw/zinc/44/69/14/1095446914.db2.gz VFTJWXUGZKUTJV-MQQADFIWSA-N 2 2 374.528 4.340 20 0 FIADLP C[C@H]1CC([N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168048304 1095446920 /nfs/dbraw/zinc/44/69/20/1095446920.db2.gz VFTJWXUGZKUTJV-MQQADFIWSA-N 2 2 374.528 4.340 20 0 FIADLP C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000444004943 1095602128 /nfs/dbraw/zinc/60/21/28/1095602128.db2.gz TYJSHPZAVOPMTA-HIFRSBDPSA-N 2 2 369.456 4.162 20 0 FIADLP C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000444004943 1095602138 /nfs/dbraw/zinc/60/21/38/1095602138.db2.gz TYJSHPZAVOPMTA-HIFRSBDPSA-N 2 2 369.456 4.162 20 0 FIADLP COc1cccc(OC)c1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000713801028 1095782855 /nfs/dbraw/zinc/78/28/55/1095782855.db2.gz DRJSAKXZIZKIAO-CMKODMSKSA-N 2 2 368.521 4.408 20 0 FIADLP COc1cccc(OC)c1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000713801028 1095782871 /nfs/dbraw/zinc/78/28/71/1095782871.db2.gz DRJSAKXZIZKIAO-CMKODMSKSA-N 2 2 368.521 4.408 20 0 FIADLP CC[NH+](CC)c1ccc(C)c(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)c1 ZINC001167946447 1095875055 /nfs/dbraw/zinc/87/50/55/1095875055.db2.gz SZFDMLMPOGKYQA-SFHVURJKSA-N 2 2 363.546 4.092 20 0 FIADLP COc1ccc([C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C2CC2)c(F)c1 ZINC000421825078 1095937178 /nfs/dbraw/zinc/93/71/78/1095937178.db2.gz LPCDJFOCSQIQLX-NRFANRHFSA-N 2 2 369.415 4.400 20 0 FIADLP COc1ccc([C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C2CC2)c(F)c1 ZINC000421824180 1095937590 /nfs/dbraw/zinc/93/75/90/1095937590.db2.gz HKFJGQPKIWPSBN-OAQYLSRUSA-N 2 2 351.425 4.261 20 0 FIADLP COC1([C@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CCCCC1 ZINC000421837993 1095947504 /nfs/dbraw/zinc/94/75/04/1095947504.db2.gz UIFHGMHJVWOHCY-PMACEKPBSA-N 2 2 374.569 4.214 20 0 FIADLP Fc1ccc(SCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503394555 1096382855 /nfs/dbraw/zinc/38/28/55/1096382855.db2.gz SPPISBAHXSRMHR-MRXNPFEDSA-N 2 2 359.514 4.330 20 0 FIADLP Fc1ccc(SCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503394555 1096382858 /nfs/dbraw/zinc/38/28/58/1096382858.db2.gz SPPISBAHXSRMHR-MRXNPFEDSA-N 2 2 359.514 4.330 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)c1c[nH+]ccc1N ZINC000422733561 1096465622 /nfs/dbraw/zinc/46/56/22/1096465622.db2.gz RDXZPDSHKWDGIE-QGZVFWFLSA-N 3 2 352.526 4.109 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1c[nH+]ccc1N ZINC000422733561 1096465625 /nfs/dbraw/zinc/46/56/25/1096465625.db2.gz RDXZPDSHKWDGIE-QGZVFWFLSA-N 3 2 352.526 4.109 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)c1c[nH+]ccc1N ZINC000423020623 1096551081 /nfs/dbraw/zinc/55/10/81/1096551081.db2.gz CFMRGPFGEMHVOR-SECBINFHSA-N 2 2 374.204 4.126 20 0 FIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000423114744 1096576330 /nfs/dbraw/zinc/57/63/30/1096576330.db2.gz WFEMXUPTHNBART-KURKYZTESA-N 2 2 351.277 4.151 20 0 FIADLP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1Br ZINC000423185561 1096597075 /nfs/dbraw/zinc/59/70/75/1096597075.db2.gz JOMFCQNMDILGLX-GOSISDBHSA-N 2 2 362.315 4.065 20 0 FIADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423189622 1096611048 /nfs/dbraw/zinc/61/10/48/1096611048.db2.gz PUABMLXCXOQOHA-LJQANCHMSA-N 2 2 359.901 4.027 20 0 FIADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])c3ccccc3)s2)cc1 ZINC000423230997 1096624327 /nfs/dbraw/zinc/62/43/27/1096624327.db2.gz AJCLNMUZJGQLPP-AUUYWEPGSA-N 2 2 367.518 4.478 20 0 FIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000423242455 1096626660 /nfs/dbraw/zinc/62/66/60/1096626660.db2.gz LZJWDQLTAOYCTG-FOIQADDNSA-N 2 2 365.521 4.390 20 0 FIADLP C[C@H]([NH3+])c1ccc(NC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000414757963 1096756463 /nfs/dbraw/zinc/75/64/63/1096756463.db2.gz XRRRQLMJIVVDMS-KGLIPLIRSA-N 2 2 373.526 4.039 20 0 FIADLP C[C@H]([NH3+])c1ccc(NC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000414757963 1096756471 /nfs/dbraw/zinc/75/64/71/1096756471.db2.gz XRRRQLMJIVVDMS-KGLIPLIRSA-N 2 2 373.526 4.039 20 0 FIADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)C1 ZINC000515492132 1098644325 /nfs/dbraw/zinc/64/43/25/1098644325.db2.gz VYUQEJFKBXLQSF-IBGZPJMESA-N 2 2 367.320 4.187 20 0 FIADLP C[N@H+]1CCC[C@]2(CC[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)C1 ZINC000515492132 1098644329 /nfs/dbraw/zinc/64/43/29/1098644329.db2.gz VYUQEJFKBXLQSF-IBGZPJMESA-N 2 2 367.320 4.187 20 0 FIADLP C[NH+]1CCC[C@]2(CC[N@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)C1 ZINC000515492132 1098644334 /nfs/dbraw/zinc/64/43/34/1098644334.db2.gz VYUQEJFKBXLQSF-IBGZPJMESA-N 2 2 367.320 4.187 20 0 FIADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)C1 ZINC000515492132 1098644338 /nfs/dbraw/zinc/64/43/38/1098644338.db2.gz VYUQEJFKBXLQSF-IBGZPJMESA-N 2 2 367.320 4.187 20 0 FIADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccsc1 ZINC000436493035 1099055576 /nfs/dbraw/zinc/05/55/76/1099055576.db2.gz KTBLINQBHVVQHQ-KRWDZBQOSA-N 2 2 360.527 4.273 20 0 FIADLP COc1ncc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1Cl ZINC000533557795 1099169292 /nfs/dbraw/zinc/16/92/92/1099169292.db2.gz UIYBRZIRYATPBN-LPHOPBHVSA-N 2 2 373.928 4.229 20 0 FIADLP COc1ncc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1Cl ZINC000533557795 1099169307 /nfs/dbraw/zinc/16/93/07/1099169307.db2.gz UIYBRZIRYATPBN-LPHOPBHVSA-N 2 2 373.928 4.229 20 0 FIADLP COc1ncc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1Cl ZINC000533557795 1099169320 /nfs/dbraw/zinc/16/93/20/1099169320.db2.gz UIYBRZIRYATPBN-LPHOPBHVSA-N 2 2 373.928 4.229 20 0 FIADLP COc1ncc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1Cl ZINC000533557795 1099169327 /nfs/dbraw/zinc/16/93/27/1099169327.db2.gz UIYBRZIRYATPBN-LPHOPBHVSA-N 2 2 373.928 4.229 20 0 FIADLP CC[N@H+](CCC1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1)CC1CC1 ZINC000455508416 1099291962 /nfs/dbraw/zinc/29/19/62/1099291962.db2.gz ZTSWWNYESWCORM-UHFFFAOYSA-N 2 2 372.557 4.373 20 0 FIADLP CC[N@@H+](CCC1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1)CC1CC1 ZINC000455508416 1099291976 /nfs/dbraw/zinc/29/19/76/1099291976.db2.gz ZTSWWNYESWCORM-UHFFFAOYSA-N 2 2 372.557 4.373 20 0 FIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655762512 1099322134 /nfs/dbraw/zinc/32/21/34/1099322134.db2.gz WMFOHLYJXXZNEK-HKUYNNGSSA-N 2 2 370.459 4.222 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000246872014 1099377263 /nfs/dbraw/zinc/37/72/63/1099377263.db2.gz DNEKDEMXSSHRLO-AHRSYUTCSA-N 2 2 353.535 4.119 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000246872014 1099377278 /nfs/dbraw/zinc/37/72/78/1099377278.db2.gz DNEKDEMXSSHRLO-AHRSYUTCSA-N 2 2 353.535 4.119 20 0 FIADLP C[C@]1(C[NH3+])CC[N@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000261713731 1099643624 /nfs/dbraw/zinc/64/36/24/1099643624.db2.gz IVLTZFKORKLRCN-MRXNPFEDSA-N 2 2 356.322 4.288 20 0 FIADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000261713731 1099643632 /nfs/dbraw/zinc/64/36/32/1099643632.db2.gz IVLTZFKORKLRCN-MRXNPFEDSA-N 2 2 356.322 4.288 20 0 FIADLP Fc1ccc(-c2nc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cs2)cc1 ZINC000078969224 1099657522 /nfs/dbraw/zinc/65/75/22/1099657522.db2.gz DGGUGDATHAEAIU-UHFFFAOYSA-N 2 2 368.481 4.103 20 0 FIADLP CCCc1csc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261827428 1099664633 /nfs/dbraw/zinc/66/46/33/1099664633.db2.gz IVQZYQRWAOIGNQ-QGZVFWFLSA-N 2 2 361.580 4.301 20 0 FIADLP CCCc1csc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261827428 1099664640 /nfs/dbraw/zinc/66/46/40/1099664640.db2.gz IVQZYQRWAOIGNQ-QGZVFWFLSA-N 2 2 361.580 4.301 20 0 FIADLP CC1(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000162499209 1099810610 /nfs/dbraw/zinc/81/06/10/1099810610.db2.gz UAAQSPRBBKXSOT-UHFFFAOYSA-N 2 2 374.488 4.113 20 0 FIADLP Cc1cc(N(C)Cc2cn3c([nH+]2)CCCC3)c2cc(OC(F)F)ccc2[nH+]1 ZINC000428685814 1100015174 /nfs/dbraw/zinc/01/51/74/1100015174.db2.gz YCSXFJOIOMATMV-UHFFFAOYSA-N 2 2 372.419 4.314 20 0 FIADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459399443 1100107240 /nfs/dbraw/zinc/10/72/40/1100107240.db2.gz LYJQXIYVYBNZNM-ROUUACIJSA-N 2 2 351.416 4.250 20 0 FIADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459399443 1100107244 /nfs/dbraw/zinc/10/72/44/1100107244.db2.gz LYJQXIYVYBNZNM-ROUUACIJSA-N 2 2 351.416 4.250 20 0 FIADLP Cc1ccc(-n2cc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000536660718 1100132354 /nfs/dbraw/zinc/13/23/54/1100132354.db2.gz ONEODQFOXJICCA-RXVVDRJESA-N 2 2 368.569 4.393 20 0 FIADLP Cc1ccc(-n2cc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000536660718 1100132358 /nfs/dbraw/zinc/13/23/58/1100132358.db2.gz ONEODQFOXJICCA-RXVVDRJESA-N 2 2 368.569 4.393 20 0 FIADLP Cc1ccc(-n2cc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000536660718 1100132362 /nfs/dbraw/zinc/13/23/62/1100132362.db2.gz ONEODQFOXJICCA-RXVVDRJESA-N 2 2 368.569 4.393 20 0 FIADLP Cc1ccc(-n2cc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000536660718 1100132368 /nfs/dbraw/zinc/13/23/68/1100132368.db2.gz ONEODQFOXJICCA-RXVVDRJESA-N 2 2 368.569 4.393 20 0 FIADLP Brc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000536731513 1100239717 /nfs/dbraw/zinc/23/97/17/1100239717.db2.gz LXELTNMHPOLQHT-YOEHRIQHSA-N 2 2 360.299 4.429 20 0 FIADLP Brc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000536731513 1100239727 /nfs/dbraw/zinc/23/97/27/1100239727.db2.gz LXELTNMHPOLQHT-YOEHRIQHSA-N 2 2 360.299 4.429 20 0 FIADLP FC(F)(F)c1ccc(-c2nc(C[NH2+][C@H]3CCC[NH2+]CC3)cs2)cc1 ZINC000414917718 1100296261 /nfs/dbraw/zinc/29/62/61/1100296261.db2.gz QZGRHHMMRCTVDP-AWEZNQCLSA-N 2 2 355.429 4.061 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CC[C@H](c4ccccc4)C3)[nH+]c2)CC1 ZINC000438188352 1100501180 /nfs/dbraw/zinc/50/11/80/1100501180.db2.gz KDGXIHBJUNHSAP-PMACEKPBSA-N 2 2 364.537 4.360 20 0 FIADLP COc1ccc(CC[C@H](C)[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)cc1O ZINC000414938962 1100839075 /nfs/dbraw/zinc/83/90/75/1100839075.db2.gz IWPXLVGBMRVEAW-HRAATJIYSA-N 2 2 364.489 4.165 20 0 FIADLP COc1ccc(CC[C@H](C)[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)cc1O ZINC000414938971 1100839115 /nfs/dbraw/zinc/83/91/15/1100839115.db2.gz IWPXLVGBMRVEAW-KKSFZXQISA-N 2 2 364.489 4.165 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506338792 1100894352 /nfs/dbraw/zinc/89/43/52/1100894352.db2.gz GRZRYAVLODRHRU-UHFFFAOYSA-N 2 2 360.933 4.139 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506338792 1100894363 /nfs/dbraw/zinc/89/43/63/1100894363.db2.gz GRZRYAVLODRHRU-UHFFFAOYSA-N 2 2 360.933 4.139 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CC[NH2+]1 ZINC000414950327 1100908460 /nfs/dbraw/zinc/90/84/60/1100908460.db2.gz OKPKSKRAKBQBRU-CMPLNLGQSA-N 2 2 356.322 4.347 20 0 FIADLP COc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1O ZINC000426173284 1100942049 /nfs/dbraw/zinc/94/20/49/1100942049.db2.gz SJIFILXKBGRKNY-QZTJIDSGSA-N 2 2 370.537 4.441 20 0 FIADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000414968469 1101023768 /nfs/dbraw/zinc/02/37/68/1101023768.db2.gz IEFBIPVKXCJZKA-HNNXBMFYSA-N 2 2 369.456 4.307 20 0 FIADLP CC(C)[C@@H](C[NH2+]Cc1ccnc2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000518768087 1101528218 /nfs/dbraw/zinc/52/82/18/1101528218.db2.gz FFHVWNQNVPASGD-XMMPIXPASA-N 2 2 359.517 4.407 20 0 FIADLP CC(C)[C@@H](C[NH2+]Cc1ccnc2ccccc12)[N@H+]1CCc2ccccc2C1 ZINC000518768087 1101528223 /nfs/dbraw/zinc/52/82/23/1101528223.db2.gz FFHVWNQNVPASGD-XMMPIXPASA-N 2 2 359.517 4.407 20 0 FIADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CC[C@H](c4ccccc4)C3)C2)cc1 ZINC000428533907 1101549090 /nfs/dbraw/zinc/54/90/90/1101549090.db2.gz JEGSJPOEMYORHG-RBZQAINGSA-N 2 2 364.533 4.203 20 0 FIADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CC[C@H](c4ccccc4)C3)C2)cc1 ZINC000428533907 1101549101 /nfs/dbraw/zinc/54/91/01/1101549101.db2.gz JEGSJPOEMYORHG-RBZQAINGSA-N 2 2 364.533 4.203 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C(c2ccccc2)c2ccccc2)cn1 ZINC000180176364 1101574102 /nfs/dbraw/zinc/57/41/02/1101574102.db2.gz JESFZNJAJXAPMX-UHFFFAOYSA-N 2 2 354.457 4.455 20 0 FIADLP COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(-n4cc[nH+]c4C)nc3)oc21 ZINC000181541355 1101594658 /nfs/dbraw/zinc/59/46/58/1101594658.db2.gz BFLILDAVDYMWNU-AWEZNQCLSA-N 2 2 362.433 4.181 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(F)cc3c2OCOC3)cc1 ZINC000183676484 1101631595 /nfs/dbraw/zinc/63/15/95/1101631595.db2.gz MLBZVRYUJRTKNX-AWEZNQCLSA-N 2 2 367.424 4.037 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2c3ccccc3-c3ccccc32)cn1 ZINC000183710302 1101633611 /nfs/dbraw/zinc/63/36/11/1101633611.db2.gz WQEYBZGXBNHMGA-UHFFFAOYSA-N 2 2 352.441 4.435 20 0 FIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Br)cc2SC)CC1 ZINC000506661276 1101711233 /nfs/dbraw/zinc/71/12/33/1101711233.db2.gz MWVDETWFNCQYNM-UHFFFAOYSA-N 2 2 357.361 4.087 20 0 FIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)cc2SC)CC1 ZINC000506661276 1101711246 /nfs/dbraw/zinc/71/12/46/1101711246.db2.gz MWVDETWFNCQYNM-UHFFFAOYSA-N 2 2 357.361 4.087 20 0 FIADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)c(Cl)c1 ZINC000537455253 1101806191 /nfs/dbraw/zinc/80/61/91/1101806191.db2.gz BKKRJPLSKDVGST-CZUORRHYSA-N 2 2 362.880 4.188 20 0 FIADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)c(Cl)c1 ZINC000537455254 1101806336 /nfs/dbraw/zinc/80/63/36/1101806336.db2.gz BKKRJPLSKDVGST-XJKSGUPXSA-N 2 2 362.880 4.188 20 0 FIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H](c3ccc(Cl)cc3)C3CC3)[nH+]c2)C1 ZINC000537456482 1101826108 /nfs/dbraw/zinc/82/61/08/1101826108.db2.gz RFJSBJWKYSIRKO-PZJWPPBQSA-N 2 2 370.928 4.439 20 0 FIADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000537630880 1102254747 /nfs/dbraw/zinc/25/47/47/1102254747.db2.gz GKTYGKUMKXUPTB-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000537630880 1102254753 /nfs/dbraw/zinc/25/47/53/1102254753.db2.gz GKTYGKUMKXUPTB-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000537630880 1102254759 /nfs/dbraw/zinc/25/47/59/1102254759.db2.gz GKTYGKUMKXUPTB-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000537630880 1102254768 /nfs/dbraw/zinc/25/47/68/1102254768.db2.gz GKTYGKUMKXUPTB-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP Clc1cc(Br)ccc1[C@@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000187694541 1102297959 /nfs/dbraw/zinc/29/79/59/1102297959.db2.gz KJDYQGCXSYLFTB-HNNXBMFYSA-N 2 2 354.679 4.040 20 0 FIADLP C[N@H+](Cc1sccc1NC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894416714 1102314006 /nfs/dbraw/zinc/31/40/06/1102314006.db2.gz DEANCYNYSPBTIP-YIONKMFJSA-N 2 2 365.543 4.152 20 0 FIADLP C[N@@H+](Cc1sccc1NC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894416714 1102314021 /nfs/dbraw/zinc/31/40/21/1102314021.db2.gz DEANCYNYSPBTIP-YIONKMFJSA-N 2 2 365.543 4.152 20 0 FIADLP C[NH+](Cc1sccc1NC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894416714 1102314032 /nfs/dbraw/zinc/31/40/32/1102314032.db2.gz DEANCYNYSPBTIP-YIONKMFJSA-N 2 2 365.543 4.152 20 0 FIADLP C[NH+](Cc1sccc1NC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894416714 1102314044 /nfs/dbraw/zinc/31/40/44/1102314044.db2.gz DEANCYNYSPBTIP-YIONKMFJSA-N 2 2 365.543 4.152 20 0 FIADLP CC(C)OCc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000532461420 1102364059 /nfs/dbraw/zinc/36/40/59/1102364059.db2.gz WTQOCAUTRJFGPZ-AUSIDOKSSA-N 2 2 367.537 4.007 20 0 FIADLP CC(C)OCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000532461420 1102364071 /nfs/dbraw/zinc/36/40/71/1102364071.db2.gz WTQOCAUTRJFGPZ-AUSIDOKSSA-N 2 2 367.537 4.007 20 0 FIADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1)C2 ZINC001168230139 1102550788 /nfs/dbraw/zinc/55/07/88/1102550788.db2.gz IEAUMAYTARRKSK-QPTUXGOLSA-N 2 2 358.485 4.193 20 0 FIADLP CCC[NH+]1CCC([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000101589822 1102581178 /nfs/dbraw/zinc/58/11/78/1102581178.db2.gz UXBQTJVQHFCFBU-UHFFFAOYSA-N 2 2 366.553 4.189 20 0 FIADLP COc1ccc2oc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000122891423 1102641842 /nfs/dbraw/zinc/64/18/42/1102641842.db2.gz FVVQFAGYVPBUBA-UHFFFAOYSA-N 2 2 350.462 4.196 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)cn1 ZINC000126509846 1102707312 /nfs/dbraw/zinc/70/73/12/1102707312.db2.gz HXDIVYOXDKAZDO-KRWDZBQOSA-N 2 2 369.472 4.489 20 0 FIADLP CC[N@@H+](Cc1cc(OC)ccc1OC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537659485 1102761841 /nfs/dbraw/zinc/76/18/41/1102761841.db2.gz VMJWTBKSPFVUCL-HXUWFJFHSA-N 2 2 368.521 4.048 20 0 FIADLP CC[N@H+](Cc1cc(OC)ccc1OC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537659485 1102761852 /nfs/dbraw/zinc/76/18/52/1102761852.db2.gz VMJWTBKSPFVUCL-HXUWFJFHSA-N 2 2 368.521 4.048 20 0 FIADLP CC[NH+](Cc1cc(OC)ccc1OC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537659485 1102761864 /nfs/dbraw/zinc/76/18/64/1102761864.db2.gz VMJWTBKSPFVUCL-HXUWFJFHSA-N 2 2 368.521 4.048 20 0 FIADLP CC[NH+](Cc1cc(OC)ccc1OC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537659485 1102761877 /nfs/dbraw/zinc/76/18/77/1102761877.db2.gz VMJWTBKSPFVUCL-HXUWFJFHSA-N 2 2 368.521 4.048 20 0 FIADLP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(Cl)c(Cl)c1 ZINC001167981927 1102773199 /nfs/dbraw/zinc/77/31/99/1102773199.db2.gz PRQNIJBDRFHRTE-IYHXRUFHSA-N 2 2 369.336 4.022 20 0 FIADLP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(Cl)c(Cl)c1 ZINC001167981927 1102773205 /nfs/dbraw/zinc/77/32/05/1102773205.db2.gz PRQNIJBDRFHRTE-IYHXRUFHSA-N 2 2 369.336 4.022 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000551030023 1102809025 /nfs/dbraw/zinc/80/90/25/1102809025.db2.gz CXYGSJIXYHEPKI-FQEVSTJZSA-N 2 2 364.961 4.140 20 0 FIADLP CC1(C)OCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000551029529 1102810068 /nfs/dbraw/zinc/81/00/68/1102810068.db2.gz IVQMPWGLIOQUMH-QFIPXVFZSA-N 2 2 361.489 4.256 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC[N@@H+]1C ZINC000608061392 1102827789 /nfs/dbraw/zinc/82/77/89/1102827789.db2.gz SFFAMVSUWCDSLA-BBRMVZONSA-N 2 2 363.299 4.281 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC[N@H+]1C ZINC000608061392 1102827812 /nfs/dbraw/zinc/82/78/12/1102827812.db2.gz SFFAMVSUWCDSLA-BBRMVZONSA-N 2 2 363.299 4.281 20 0 FIADLP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000551051131 1102863269 /nfs/dbraw/zinc/86/32/69/1102863269.db2.gz NSDBUMCRBQJDGP-XAUMDUMWSA-N 2 2 372.484 4.329 20 0 FIADLP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000551051131 1102863281 /nfs/dbraw/zinc/86/32/81/1102863281.db2.gz NSDBUMCRBQJDGP-XAUMDUMWSA-N 2 2 372.484 4.329 20 0 FIADLP C[C@H](c1ccc(Br)cc1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000112345578 1102915454 /nfs/dbraw/zinc/91/54/54/1102915454.db2.gz LPZGGAPSJFJYTQ-CQSZACIVSA-N 2 2 362.315 4.198 20 0 FIADLP Clc1cccc([C@@H]2CCC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)c1 ZINC000655775452 1103203720 /nfs/dbraw/zinc/20/37/20/1103203720.db2.gz XXSHCRIGDXFJLI-JRGCBEDISA-N 2 2 362.945 4.209 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000507461888 1103408480 /nfs/dbraw/zinc/40/84/80/1103408480.db2.gz NGNNPJYBADPYPS-TZMCWYRMSA-N 2 2 360.386 4.362 20 0 FIADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(F)cc1F ZINC000507521645 1103467097 /nfs/dbraw/zinc/46/70/97/1103467097.db2.gz ZPYMDKKDUJUPDN-LBPRGKRZSA-N 2 2 350.375 4.075 20 0 FIADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000551795294 1103670560 /nfs/dbraw/zinc/67/05/60/1103670560.db2.gz BBJQBBYGHZWYBS-JJEOQYAHSA-N 2 2 361.489 4.222 20 0 FIADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000551908420 1103776434 /nfs/dbraw/zinc/77/64/34/1103776434.db2.gz PJOAQIJVJMKQNY-UHFFFAOYSA-N 2 2 373.566 4.274 20 0 FIADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000551908420 1103776443 /nfs/dbraw/zinc/77/64/43/1103776443.db2.gz PJOAQIJVJMKQNY-UHFFFAOYSA-N 2 2 373.566 4.274 20 0 FIADLP Clc1cccc(Cl)c1OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441395967 1104330161 /nfs/dbraw/zinc/33/01/61/1104330161.db2.gz BCOHUVOTCBNBIQ-RDTXWAMCSA-N 2 2 369.336 4.321 20 0 FIADLP Clc1cccc(Cl)c1OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441395967 1104330171 /nfs/dbraw/zinc/33/01/71/1104330171.db2.gz BCOHUVOTCBNBIQ-RDTXWAMCSA-N 2 2 369.336 4.321 20 0 FIADLP Clc1cccc(Cl)c1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441395967 1104330180 /nfs/dbraw/zinc/33/01/80/1104330180.db2.gz BCOHUVOTCBNBIQ-RDTXWAMCSA-N 2 2 369.336 4.321 20 0 FIADLP Clc1cccc(Cl)c1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441395967 1104330190 /nfs/dbraw/zinc/33/01/90/1104330190.db2.gz BCOHUVOTCBNBIQ-RDTXWAMCSA-N 2 2 369.336 4.321 20 0 FIADLP COc1cccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1OC ZINC001168007377 1105131551 /nfs/dbraw/zinc/13/15/51/1105131551.db2.gz RUFQYIYILNSQFL-QZTJIDSGSA-N 2 2 368.521 4.235 20 0 FIADLP C[C@@H]1CC([N@H+](CCC[NH3+])C2CCCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008004 1105151411 /nfs/dbraw/zinc/15/14/11/1105151411.db2.gz CBOQXHDJVIYEQE-WOJBJXKFSA-N 3 2 357.586 4.412 20 0 FIADLP C[C@@H]1CC([N@@H+](CCC[NH3+])C2CCCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008004 1105151413 /nfs/dbraw/zinc/15/14/13/1105151413.db2.gz CBOQXHDJVIYEQE-WOJBJXKFSA-N 3 2 357.586 4.412 20 0 FIADLP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c(OCCC)c1 ZINC000427852786 1105295938 /nfs/dbraw/zinc/29/59/38/1105295938.db2.gz MYVLPHRQWVCAFR-SJORKVTESA-N 2 2 357.498 4.126 20 0 FIADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000427870038 1105304459 /nfs/dbraw/zinc/30/44/59/1105304459.db2.gz URMILUQRFYEKKE-RDJZCZTQSA-N 2 2 351.425 4.480 20 0 FIADLP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427871208 1105305510 /nfs/dbraw/zinc/30/55/10/1105305510.db2.gz IDYGOSPRPQWOPV-ICSRJNTNSA-N 2 2 353.510 4.154 20 0 FIADLP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427871211 1105305565 /nfs/dbraw/zinc/30/55/65/1105305565.db2.gz IDYGOSPRPQWOPV-UYAOXDASSA-N 2 2 353.510 4.154 20 0 FIADLP Fc1cccc(C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccc(F)c2)c1 ZINC000427870475 1105305989 /nfs/dbraw/zinc/30/59/89/1105305989.db2.gz VCORVAZFWUBJQF-PMACEKPBSA-N 2 2 353.416 4.050 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167978479 1106902576 /nfs/dbraw/zinc/90/25/76/1106902576.db2.gz XQTYMLUGLSPARW-DNVCBOLYSA-N 2 2 364.497 4.081 20 0 FIADLP Fc1ccc(/C=C/C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000373482246 1106909990 /nfs/dbraw/zinc/90/99/90/1106909990.db2.gz GLDSKDUTPFVHSJ-OWOJBTEDSA-N 2 2 356.407 4.234 20 0 FIADLP Fc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CC[NH2+]C24CCC4)CCC3)cc1 ZINC000530221208 1106914442 /nfs/dbraw/zinc/91/44/42/1106914442.db2.gz OTXDQXPUBXJOBP-NVXWUHKLSA-N 2 2 357.498 4.201 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3ccccc3F)CC2)cc1 ZINC000451225614 1106981165 /nfs/dbraw/zinc/98/11/65/1106981165.db2.gz FDOFMZFZJXLCIL-MRXNPFEDSA-N 2 2 369.484 4.099 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000530386814 1106995234 /nfs/dbraw/zinc/99/52/34/1106995234.db2.gz CNJBBIUKPBKGJI-HKUYNNGSSA-N 2 2 364.489 4.442 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530386814 1106995236 /nfs/dbraw/zinc/99/52/36/1106995236.db2.gz CNJBBIUKPBKGJI-HKUYNNGSSA-N 2 2 364.489 4.442 20 0 FIADLP Cc1cc(N2CCC(Nc3cc[nH+]c4cc(Cl)ccc34)CC2)nc(C)[nH+]1 ZINC000301509508 1107054015 /nfs/dbraw/zinc/05/40/15/1107054015.db2.gz AGIMQJIKVMOGRR-UHFFFAOYSA-N 2 2 367.884 4.376 20 0 FIADLP Clc1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCCC2)cc1 ZINC000655717078 1107307262 /nfs/dbraw/zinc/30/72/62/1107307262.db2.gz UJOGRFZIONFWGY-RTWAWAEBSA-N 2 2 362.945 4.414 20 0 FIADLP CCc1ccc(-c2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cs2)cc1 ZINC000530949717 1107429259 /nfs/dbraw/zinc/42/92/59/1107429259.db2.gz GVVAYJUDMBRBEB-UHFFFAOYSA-N 2 2 352.507 4.475 20 0 FIADLP COc1ccc(OCCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000531695238 1108074104 /nfs/dbraw/zinc/07/41/04/1108074104.db2.gz RRTWZAQJILEQPS-QGZVFWFLSA-N 2 2 351.450 4.001 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl)CCC2 ZINC000531733140 1108103955 /nfs/dbraw/zinc/10/39/55/1108103955.db2.gz PLNOHRWOLOHHMQ-ZBFHGGJFSA-N 2 2 374.916 4.038 20 0 FIADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453178832 1108222119 /nfs/dbraw/zinc/22/21/19/1108222119.db2.gz TWKVYAPCONHUGX-OALUTQOASA-N 2 2 354.542 4.106 20 0 FIADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453178832 1108222128 /nfs/dbraw/zinc/22/21/28/1108222128.db2.gz TWKVYAPCONHUGX-OALUTQOASA-N 2 2 354.542 4.106 20 0 FIADLP COc1cccc2c1CC[C@@H]2[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000453241194 1108317946 /nfs/dbraw/zinc/31/79/46/1108317946.db2.gz VSDZLSCHAWYZHW-SFHVURJKSA-N 2 2 353.853 4.311 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453250741 1108323216 /nfs/dbraw/zinc/32/32/16/1108323216.db2.gz YXNSIOYEABEDOD-ITEAAPOESA-N 2 2 371.475 4.237 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453250741 1108323229 /nfs/dbraw/zinc/32/32/29/1108323229.db2.gz YXNSIOYEABEDOD-ITEAAPOESA-N 2 2 371.475 4.237 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000453323240 1108415492 /nfs/dbraw/zinc/41/54/92/1108415492.db2.gz JEHBJBUEBKDIRI-INIZCTEOSA-N 2 2 369.484 4.099 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C3[C@H](C)CCC[C@H]3C)CC2)cc1 ZINC000453332054 1108421446 /nfs/dbraw/zinc/42/14/46/1108421446.db2.gz UUYXTEFGDLGXMF-IAGOWNOFSA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3[C@H](C)CCC[C@@H]3C)CC2)cc1 ZINC000453332060 1108422319 /nfs/dbraw/zinc/42/23/19/1108422319.db2.gz UUYXTEFGDLGXMF-YPGOJHLTSA-N 2 2 357.542 4.024 20 0 FIADLP C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)c1cccc(-n2cc[nH+]c2)c1 ZINC000531984261 1108467095 /nfs/dbraw/zinc/46/70/95/1108467095.db2.gz VANGVBBOMIIFGF-HZPDHXFCSA-N 2 2 360.461 4.169 20 0 FIADLP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000532196553 1108703214 /nfs/dbraw/zinc/70/32/14/1108703214.db2.gz ZMXIMESSVPVUFE-IBGZPJMESA-N 2 2 352.522 4.361 20 0 FIADLP C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532249677 1108727783 /nfs/dbraw/zinc/72/77/83/1108727783.db2.gz ZIHSCAQPCLNQGH-IERDGZPVSA-N 2 2 368.912 4.479 20 0 FIADLP COc1ccc(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)cc1OC ZINC000524604977 1109087392 /nfs/dbraw/zinc/08/73/92/1109087392.db2.gz MQKLVIHIXONXQU-SFHVURJKSA-N 2 2 368.521 4.457 20 0 FIADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)cc1Cl ZINC000446744242 1109327223 /nfs/dbraw/zinc/32/72/23/1109327223.db2.gz XUHOJYKKQWAAHW-OAHLLOKOSA-N 2 2 356.695 4.430 20 0 FIADLP FC(F)(F)Oc1cccc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000446759778 1109337241 /nfs/dbraw/zinc/33/72/41/1109337241.db2.gz GZAJBULJCPVCJW-UHFFFAOYSA-N 2 2 356.432 4.078 20 0 FIADLP C[NH+](C)[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccsc1 ZINC000447546302 1109575237 /nfs/dbraw/zinc/57/52/37/1109575237.db2.gz USWDOJDHIOLLCA-KJJMTIBFSA-N 2 2 369.578 4.136 20 0 FIADLP C[NH+](C)[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccsc1 ZINC000447546302 1109575240 /nfs/dbraw/zinc/57/52/40/1109575240.db2.gz USWDOJDHIOLLCA-KJJMTIBFSA-N 2 2 369.578 4.136 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000447941969 1109677072 /nfs/dbraw/zinc/67/70/72/1109677072.db2.gz LUVQMLWDLAJFAB-PZJWPPBQSA-N 2 2 360.505 4.015 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000447941969 1109677075 /nfs/dbraw/zinc/67/70/75/1109677075.db2.gz LUVQMLWDLAJFAB-PZJWPPBQSA-N 2 2 360.505 4.015 20 0 FIADLP CC[N@H+](Cc1ccnc(C)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000527537506 1109778159 /nfs/dbraw/zinc/77/81/59/1109778159.db2.gz CLMINUQLNWUAHC-UHFFFAOYSA-N 2 2 367.541 4.103 20 0 FIADLP CC[N@@H+](Cc1ccnc(C)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000527537506 1109778162 /nfs/dbraw/zinc/77/81/62/1109778162.db2.gz CLMINUQLNWUAHC-UHFFFAOYSA-N 2 2 367.541 4.103 20 0 FIADLP c1nc(CCc2ccccc2)sc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000449026353 1109959004 /nfs/dbraw/zinc/95/90/04/1109959004.db2.gz FNYXRIJZELELSJ-FQEVSTJZSA-N 2 2 369.578 4.236 20 0 FIADLP c1nc(CCc2ccccc2)sc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000449026353 1109959006 /nfs/dbraw/zinc/95/90/06/1109959006.db2.gz FNYXRIJZELELSJ-FQEVSTJZSA-N 2 2 369.578 4.236 20 0 FIADLP Fc1ccccc1-c1ncc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000449029029 1109959546 /nfs/dbraw/zinc/95/95/46/1109959546.db2.gz NKBIIPHVTNRJMA-INIZCTEOSA-N 2 2 359.514 4.400 20 0 FIADLP Fc1ccccc1-c1ncc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000449029029 1109959547 /nfs/dbraw/zinc/95/95/47/1109959547.db2.gz NKBIIPHVTNRJMA-INIZCTEOSA-N 2 2 359.514 4.400 20 0 FIADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449136435 1109982821 /nfs/dbraw/zinc/98/28/21/1109982821.db2.gz BGJYPDBOZZCUJF-LEWJYISDSA-N 2 2 356.554 4.151 20 0 FIADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449136435 1109982823 /nfs/dbraw/zinc/98/28/23/1109982823.db2.gz BGJYPDBOZZCUJF-LEWJYISDSA-N 2 2 356.554 4.151 20 0 FIADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449136438 1109982879 /nfs/dbraw/zinc/98/28/79/1109982879.db2.gz BGJYPDBOZZCUJF-SFTDATJTSA-N 2 2 356.554 4.151 20 0 FIADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449136438 1109982880 /nfs/dbraw/zinc/98/28/80/1109982880.db2.gz BGJYPDBOZZCUJF-SFTDATJTSA-N 2 2 356.554 4.151 20 0 FIADLP COC[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000449180141 1109992930 /nfs/dbraw/zinc/99/29/30/1109992930.db2.gz YLWITNBPFNHHNX-MBSDFSHPSA-N 2 2 370.512 4.198 20 0 FIADLP COCC[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1ccc(C)o1 ZINC000449226696 1110002503 /nfs/dbraw/zinc/00/25/03/1110002503.db2.gz NLIXZXZXHGLDLQ-AVRDEDQJSA-N 2 2 370.537 4.351 20 0 FIADLP CC(C)(C)CC(C)(C)[NH+]1CCC(Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000449320534 1110032158 /nfs/dbraw/zinc/03/21/58/1110032158.db2.gz OCUCTNQZVGSCHT-UHFFFAOYSA-N 2 2 369.557 4.418 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]CC(C(C)C)C(C)C)CC2)cc1 ZINC000449523884 1110098557 /nfs/dbraw/zinc/09/85/57/1110098557.db2.gz MKDORRGKMATHSM-UHFFFAOYSA-N 2 2 359.558 4.127 20 0 FIADLP CC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000449524498 1110098620 /nfs/dbraw/zinc/09/86/20/1110098620.db2.gz OHGDQPFDLHTPFT-PGRDOPGGSA-N 2 2 357.542 4.168 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H](C)[C@H](C)C3)CC2)cc1 ZINC000449526680 1110099413 /nfs/dbraw/zinc/09/94/13/1110099413.db2.gz XIJOZXZAFUUPLQ-GSHUGGBRSA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000449525735 1110099424 /nfs/dbraw/zinc/09/94/24/1110099424.db2.gz UHQVYQNIMIYYCE-IXFSTUDKSA-N 2 2 371.569 4.414 20 0 FIADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2)cc1C ZINC000026309308 1110115900 /nfs/dbraw/zinc/11/59/00/1110115900.db2.gz YXCGBTASOYVDCK-UHFFFAOYSA-N 2 2 371.488 4.142 20 0 FIADLP CC(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000450476763 1110302694 /nfs/dbraw/zinc/30/26/94/1110302694.db2.gz RLFQWHJYQCWXAX-FDDCHVKYSA-N 2 2 350.506 4.374 20 0 FIADLP CC(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000450476763 1110302695 /nfs/dbraw/zinc/30/26/95/1110302695.db2.gz RLFQWHJYQCWXAX-FDDCHVKYSA-N 2 2 350.506 4.374 20 0 FIADLP CC(=O)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000450476763 1110302698 /nfs/dbraw/zinc/30/26/98/1110302698.db2.gz RLFQWHJYQCWXAX-FDDCHVKYSA-N 2 2 350.506 4.374 20 0 FIADLP CC(=O)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000450476763 1110302701 /nfs/dbraw/zinc/30/27/01/1110302701.db2.gz RLFQWHJYQCWXAX-FDDCHVKYSA-N 2 2 350.506 4.374 20 0 FIADLP c1csc([C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000390527087 1110338181 /nfs/dbraw/zinc/33/81/81/1110338181.db2.gz CTHFBNXLINGKQB-FPOVZHCZSA-N 2 2 356.535 4.080 20 0 FIADLP c1csc([C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000390527087 1110338185 /nfs/dbraw/zinc/33/81/85/1110338185.db2.gz CTHFBNXLINGKQB-FPOVZHCZSA-N 2 2 356.535 4.080 20 0 FIADLP COC(=O)c1occc1C[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000538330069 1111095402 /nfs/dbraw/zinc/09/54/02/1111095402.db2.gz XACVATIIYXPOFS-UHFFFAOYSA-N 2 2 370.493 4.121 20 0 FIADLP COC(=O)c1occc1C[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000538330069 1111095408 /nfs/dbraw/zinc/09/54/08/1111095408.db2.gz XACVATIIYXPOFS-UHFFFAOYSA-N 2 2 370.493 4.121 20 0 FIADLP CCOc1cccc2cc([C@H](C)[NH2+]CCc3cn4c([nH+]3)CCCC4)oc21 ZINC000538398908 1111115233 /nfs/dbraw/zinc/11/52/33/1111115233.db2.gz UIWMDCAWNZUOBN-HNNXBMFYSA-N 2 2 353.466 4.258 20 0 FIADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C12CCC2 ZINC000538409467 1111130478 /nfs/dbraw/zinc/13/04/78/1111130478.db2.gz QHYRKUPMNNJCJN-PWRODBHTSA-N 2 2 353.510 4.179 20 0 FIADLP Fc1ccc(CC[NH+]2CCC([NH2+]C3(c4ccc(F)cc4)CC3)CC2)cc1 ZINC000538553390 1111190008 /nfs/dbraw/zinc/19/00/08/1111190008.db2.gz FLPAPVMXIHDDGA-UHFFFAOYSA-N 2 2 356.460 4.251 20 0 FIADLP COc1ccc(Cl)cc1[C@@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000538558363 1111192642 /nfs/dbraw/zinc/19/26/42/1111192642.db2.gz AIJHFYVIMIEFBJ-RHSMWYFYSA-N 2 2 374.916 4.057 20 0 FIADLP CCCCOc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1OC ZINC000538719138 1111261289 /nfs/dbraw/zinc/26/12/89/1111261289.db2.gz MQSTXMXVVIQJSU-FQEVSTJZSA-N 2 2 360.542 4.324 20 0 FIADLP CCCCOc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1OC ZINC000538719138 1111261291 /nfs/dbraw/zinc/26/12/91/1111261291.db2.gz MQSTXMXVVIQJSU-FQEVSTJZSA-N 2 2 360.542 4.324 20 0 FIADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1 ZINC000538732711 1111269248 /nfs/dbraw/zinc/26/92/48/1111269248.db2.gz LNNGSNIHJLNJNN-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1 ZINC000538732711 1111269250 /nfs/dbraw/zinc/26/92/50/1111269250.db2.gz LNNGSNIHJLNJNN-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1 ZINC000538732711 1111269255 /nfs/dbraw/zinc/26/92/55/1111269255.db2.gz LNNGSNIHJLNJNN-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1 ZINC000538732711 1111269256 /nfs/dbraw/zinc/26/92/56/1111269256.db2.gz LNNGSNIHJLNJNN-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)o1 ZINC000538850037 1111318990 /nfs/dbraw/zinc/31/89/90/1111318990.db2.gz IUUCYBAVOZUKRJ-RDJZCZTQSA-N 2 2 373.928 4.098 20 0 FIADLP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000552048421 1111557643 /nfs/dbraw/zinc/55/76/43/1111557643.db2.gz SBRRHLZCSPCYJX-BXWFABGCSA-N 2 2 372.534 4.096 20 0 FIADLP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000552048421 1111557646 /nfs/dbraw/zinc/55/76/46/1111557646.db2.gz SBRRHLZCSPCYJX-BXWFABGCSA-N 2 2 372.534 4.096 20 0 FIADLP C[C@@H](O)[C@@](C)(C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000477854688 1111587000 /nfs/dbraw/zinc/58/70/00/1111587000.db2.gz GWCCITCYHILGMI-YCRNBWNJSA-N 2 2 363.505 4.153 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCc3cc(Br)ccc31)CCC2 ZINC000479071602 1111940573 /nfs/dbraw/zinc/94/05/73/1111940573.db2.gz RSHLIVDKXCUBPY-CRAIPNDOSA-N 2 2 374.326 4.499 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1csc(-c3ccc(F)cc3)n1)CCC2 ZINC000553508139 1111991347 /nfs/dbraw/zinc/99/13/47/1111991347.db2.gz SISULLVQEHMVCK-OAHLLOKOSA-N 2 2 356.470 4.121 20 0 FIADLP CC[NH+]1CCC([N@H+](C)Cc2cc3cc(Br)ccc3o2)CC1 ZINC000667494049 1112035927 /nfs/dbraw/zinc/03/59/27/1112035927.db2.gz LKVTWOIZTJABFX-UHFFFAOYSA-N 2 2 351.288 4.111 20 0 FIADLP CC[NH+]1CCC([N@@H+](C)Cc2cc3cc(Br)ccc3o2)CC1 ZINC000667494049 1112035931 /nfs/dbraw/zinc/03/59/31/1112035931.db2.gz LKVTWOIZTJABFX-UHFFFAOYSA-N 2 2 351.288 4.111 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000479488737 1112041010 /nfs/dbraw/zinc/04/10/10/1112041010.db2.gz KOPOOHSVLRWYPO-LHWDRQQYSA-N 2 2 367.512 4.357 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000479488737 1112041013 /nfs/dbraw/zinc/04/10/13/1112041013.db2.gz KOPOOHSVLRWYPO-LHWDRQQYSA-N 2 2 367.512 4.357 20 0 FIADLP Cc1cc2[nH]c(C[NH2+][C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)cc2c(C)c1 ZINC000479566781 1112074446 /nfs/dbraw/zinc/07/44/46/1112074446.db2.gz WPQKFKWPMGAIIW-MRXNPFEDSA-N 2 2 350.510 4.383 20 0 FIADLP COCc1csc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000667618429 1112274569 /nfs/dbraw/zinc/27/45/69/1112274569.db2.gz YYIDVBPINFNVOU-FXAWDEMLSA-N 2 2 358.551 4.379 20 0 FIADLP COCc1csc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000667618429 1112274573 /nfs/dbraw/zinc/27/45/73/1112274573.db2.gz YYIDVBPINFNVOU-FXAWDEMLSA-N 2 2 358.551 4.379 20 0 FIADLP COCc1csc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000667618429 1112274576 /nfs/dbraw/zinc/27/45/76/1112274576.db2.gz YYIDVBPINFNVOU-FXAWDEMLSA-N 2 2 358.551 4.379 20 0 FIADLP COCc1csc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000667618429 1112274579 /nfs/dbraw/zinc/27/45/79/1112274579.db2.gz YYIDVBPINFNVOU-FXAWDEMLSA-N 2 2 358.551 4.379 20 0 FIADLP Brc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2ccco2)cc1 ZINC000554495206 1112376220 /nfs/dbraw/zinc/37/62/20/1112376220.db2.gz SWBYZPTZUQXQMD-SFHVURJKSA-N 2 2 374.282 4.398 20 0 FIADLP C[C@H](CCCC(F)(F)F)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000480304402 1112378327 /nfs/dbraw/zinc/37/83/27/1112378327.db2.gz ATAFOIBDERONGD-CQSZACIVSA-N 2 2 358.452 4.145 20 0 FIADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667685913 1112456197 /nfs/dbraw/zinc/45/61/97/1112456197.db2.gz OAVWCOJNWCEDSR-OAHLLOKOSA-N 2 2 355.511 4.349 20 0 FIADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667685913 1112456204 /nfs/dbraw/zinc/45/62/04/1112456204.db2.gz OAVWCOJNWCEDSR-OAHLLOKOSA-N 2 2 355.511 4.349 20 0 FIADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480523517 1112457163 /nfs/dbraw/zinc/45/71/63/1112457163.db2.gz IFRVVADNNTUKMM-JOCHJYFZSA-N 2 2 365.496 4.470 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CCS2 ZINC000480609038 1112499922 /nfs/dbraw/zinc/49/99/22/1112499922.db2.gz CSRHZPUXWZBFBU-PMPSAXMXSA-N 2 2 367.356 4.202 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CCS2 ZINC000480609038 1112499923 /nfs/dbraw/zinc/49/99/23/1112499923.db2.gz CSRHZPUXWZBFBU-PMPSAXMXSA-N 2 2 367.356 4.202 20 0 FIADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3nc4cccc(Cl)c4n3C)CC2)C1 ZINC000480660475 1112526870 /nfs/dbraw/zinc/52/68/70/1112526870.db2.gz OQRPTXOMJUWPAX-WBVHZDCISA-N 2 2 374.960 4.359 20 0 FIADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000554972899 1112600148 /nfs/dbraw/zinc/60/01/48/1112600148.db2.gz ZAKOHBORJAMJEW-IDKBZEPQSA-N 2 2 361.436 4.363 20 0 FIADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481312662 1112895730 /nfs/dbraw/zinc/89/57/30/1112895730.db2.gz MLVSWMMRBDHOIH-UZUQRXQVSA-N 2 2 368.496 4.071 20 0 FIADLP CC(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000481314983 1112900113 /nfs/dbraw/zinc/90/01/13/1112900113.db2.gz MDWWMSJHIUVUII-LJQANCHMSA-N 2 2 352.522 4.493 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc2c(c1)CCCC2 ZINC000481327944 1112901831 /nfs/dbraw/zinc/90/18/31/1112901831.db2.gz OKZCIVVVDKFTQZ-IBGZPJMESA-N 2 2 364.533 4.248 20 0 FIADLP Cc1nocc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000555552984 1112921490 /nfs/dbraw/zinc/92/14/90/1112921490.db2.gz KQGYHDZBCUOYIH-MAUKXSAKSA-N 2 2 367.415 4.175 20 0 FIADLP Cc1nocc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000555552984 1112921492 /nfs/dbraw/zinc/92/14/92/1112921492.db2.gz KQGYHDZBCUOYIH-MAUKXSAKSA-N 2 2 367.415 4.175 20 0 FIADLP Brc1ccccc1C[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000555773940 1112992820 /nfs/dbraw/zinc/99/28/20/1112992820.db2.gz ZEOARPDQMSSWCQ-KRWDZBQOSA-N 2 2 362.315 4.133 20 0 FIADLP Brc1ccccc1C[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000555773940 1112992823 /nfs/dbraw/zinc/99/28/23/1112992823.db2.gz ZEOARPDQMSSWCQ-KRWDZBQOSA-N 2 2 362.315 4.133 20 0 FIADLP COc1ccc(-c2ccncc2)cc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000481980256 1113147138 /nfs/dbraw/zinc/14/71/38/1113147138.db2.gz KLNLBJINGVOVSN-OAQYLSRUSA-N 2 2 353.510 4.063 20 0 FIADLP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000481980256 1113147140 /nfs/dbraw/zinc/14/71/40/1113147140.db2.gz KLNLBJINGVOVSN-OAQYLSRUSA-N 2 2 353.510 4.063 20 0 FIADLP COc1ccc(-c2ccncc2)cc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000481980256 1113147141 /nfs/dbraw/zinc/14/71/41/1113147141.db2.gz KLNLBJINGVOVSN-OAQYLSRUSA-N 2 2 353.510 4.063 20 0 FIADLP COc1ccc(-c2ccncc2)cc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000481980256 1113147143 /nfs/dbraw/zinc/14/71/43/1113147143.db2.gz KLNLBJINGVOVSN-OAQYLSRUSA-N 2 2 353.510 4.063 20 0 FIADLP CC1(C)CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cc(Br)ccc21 ZINC000482001135 1113148362 /nfs/dbraw/zinc/14/83/62/1113148362.db2.gz LZHXLLUIWFBOKI-PBHICJAKSA-N 2 2 374.326 4.363 20 0 FIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccccc1 ZINC000482448444 1113262248 /nfs/dbraw/zinc/26/22/48/1113262248.db2.gz NWSAVVNCKSQFSL-VQTJNVASSA-N 2 2 358.551 4.425 20 0 FIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccccc1 ZINC000482448444 1113262251 /nfs/dbraw/zinc/26/22/51/1113262251.db2.gz NWSAVVNCKSQFSL-VQTJNVASSA-N 2 2 358.551 4.425 20 0 FIADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@@](C)(c4ccc(F)cc4)C3)sc2C1 ZINC000482595339 1113306751 /nfs/dbraw/zinc/30/67/51/1113306751.db2.gz ZHLXEDYIXXHHAN-OAQYLSRUSA-N 2 2 373.541 4.212 20 0 FIADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@@](C)(c4ccc(F)cc4)C3)sc2C1 ZINC000482595339 1113306755 /nfs/dbraw/zinc/30/67/55/1113306755.db2.gz ZHLXEDYIXXHHAN-OAQYLSRUSA-N 2 2 373.541 4.212 20 0 FIADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@@](C)(c4ccc(F)cc4)C3)sc2C1 ZINC000482595339 1113306760 /nfs/dbraw/zinc/30/67/60/1113306760.db2.gz ZHLXEDYIXXHHAN-OAQYLSRUSA-N 2 2 373.541 4.212 20 0 FIADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@@](C)(c4ccc(F)cc4)C3)sc2C1 ZINC000482595339 1113306766 /nfs/dbraw/zinc/30/67/66/1113306766.db2.gz ZHLXEDYIXXHHAN-OAQYLSRUSA-N 2 2 373.541 4.212 20 0 FIADLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccc(OC(F)F)cc1 ZINC000482645969 1113319046 /nfs/dbraw/zinc/31/90/46/1113319046.db2.gz JICBQBFBRCIKBI-GOSISDBHSA-N 2 2 370.484 4.218 20 0 FIADLP Fc1c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cccc1OC1CC1 ZINC000668104809 1113331636 /nfs/dbraw/zinc/33/16/36/1113331636.db2.gz OCUVWQRAAWKUCN-KRWDZBQOSA-N 2 2 369.484 4.279 20 0 FIADLP Fc1c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cccc1OC1CC1 ZINC000668104809 1113331643 /nfs/dbraw/zinc/33/16/43/1113331643.db2.gz OCUVWQRAAWKUCN-KRWDZBQOSA-N 2 2 369.484 4.279 20 0 FIADLP C[C@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483158656 1113450787 /nfs/dbraw/zinc/45/07/87/1113450787.db2.gz QJIHMEBBKVGYRM-YWZLYKJASA-N 2 2 370.447 4.104 20 0 FIADLP CCN(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000483266518 1113476806 /nfs/dbraw/zinc/47/68/06/1113476806.db2.gz ASBNESYZLLLVKZ-KNQAVFIVSA-N 2 2 366.553 4.023 20 0 FIADLP CCN(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000483266518 1113476809 /nfs/dbraw/zinc/47/68/09/1113476809.db2.gz ASBNESYZLLLVKZ-KNQAVFIVSA-N 2 2 366.553 4.023 20 0 FIADLP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000483266518 1113476813 /nfs/dbraw/zinc/47/68/13/1113476813.db2.gz ASBNESYZLLLVKZ-KNQAVFIVSA-N 2 2 366.553 4.023 20 0 FIADLP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000483266518 1113476817 /nfs/dbraw/zinc/47/68/17/1113476817.db2.gz ASBNESYZLLLVKZ-KNQAVFIVSA-N 2 2 366.553 4.023 20 0 FIADLP C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486475179 1113575914 /nfs/dbraw/zinc/57/59/14/1113575914.db2.gz JPXNIEDTWVXRIU-NQIIRXRSSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486475179 1113575921 /nfs/dbraw/zinc/57/59/21/1113575921.db2.gz JPXNIEDTWVXRIU-NQIIRXRSSA-N 2 2 361.489 4.342 20 0 FIADLP c1csc(-c2nc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)cs2)c1 ZINC000488448851 1113933714 /nfs/dbraw/zinc/93/37/14/1113933714.db2.gz DOABLTMRZOMTLA-UHFFFAOYSA-N 2 2 366.515 4.406 20 0 FIADLP CC[N@H+](C[C@H]1CCO[C@H](C)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000490355339 1114277748 /nfs/dbraw/zinc/27/77/48/1114277748.db2.gz PRQXBKGSPHODMT-MOPGFXCFSA-N 2 2 374.573 4.014 20 0 FIADLP CC[N@@H+](C[C@H]1CCO[C@H](C)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000490355339 1114277755 /nfs/dbraw/zinc/27/77/55/1114277755.db2.gz PRQXBKGSPHODMT-MOPGFXCFSA-N 2 2 374.573 4.014 20 0 FIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988788 1114360090 /nfs/dbraw/zinc/36/00/90/1114360090.db2.gz QKDXIKNXFZPQDW-ZRGWGRIASA-N 2 2 370.368 4.012 20 0 FIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988788 1114360092 /nfs/dbraw/zinc/36/00/92/1114360092.db2.gz QKDXIKNXFZPQDW-ZRGWGRIASA-N 2 2 370.368 4.012 20 0 FIADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000571284512 1114458590 /nfs/dbraw/zinc/45/85/90/1114458590.db2.gz ZSPODOJLAMTMMX-MRXNPFEDSA-N 2 2 374.960 4.390 20 0 FIADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000571284512 1114458592 /nfs/dbraw/zinc/45/85/92/1114458592.db2.gz ZSPODOJLAMTMMX-MRXNPFEDSA-N 2 2 374.960 4.390 20 0 FIADLP Brc1cccc2c(NCC[NH+]3Cc4ccccc4C3)cc[nH+]c12 ZINC000588162321 1114530845 /nfs/dbraw/zinc/53/08/45/1114530845.db2.gz SDMPTQOIPWCLPO-UHFFFAOYSA-N 2 2 368.278 4.425 20 0 FIADLP C[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000760908415 1115170451 /nfs/dbraw/zinc/17/04/51/1115170451.db2.gz OGTPULJXWUVZQX-FBHNJWQJSA-N 2 2 361.489 4.353 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@@H]1c1ccccc1 ZINC000574624084 1115429896 /nfs/dbraw/zinc/42/98/96/1115429896.db2.gz HOQPEPGMJRQEHT-FYYLOGMGSA-N 3 2 355.570 4.209 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@@H]1c1ccccc1 ZINC000574624084 1115429898 /nfs/dbraw/zinc/42/98/98/1115429898.db2.gz HOQPEPGMJRQEHT-FYYLOGMGSA-N 3 2 355.570 4.209 20 0 FIADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1SC(F)(F)F ZINC000173529084 1116074763 /nfs/dbraw/zinc/07/47/63/1116074763.db2.gz DKIVLUXVKIVIMG-JSGCOSHPSA-N 2 2 362.461 4.222 20 0 FIADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1SC(F)(F)F ZINC000173529084 1116074765 /nfs/dbraw/zinc/07/47/65/1116074765.db2.gz DKIVLUXVKIVIMG-JSGCOSHPSA-N 2 2 362.461 4.222 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1SC(F)(F)F ZINC000173529084 1116074767 /nfs/dbraw/zinc/07/47/67/1116074767.db2.gz DKIVLUXVKIVIMG-JSGCOSHPSA-N 2 2 362.461 4.222 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1SC(F)(F)F ZINC000173529084 1116074769 /nfs/dbraw/zinc/07/47/69/1116074769.db2.gz DKIVLUXVKIVIMG-JSGCOSHPSA-N 2 2 362.461 4.222 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cccc(Br)c1)c1ccccc1 ZINC000608069645 1116080595 /nfs/dbraw/zinc/08/05/95/1116080595.db2.gz DLVWPPMZGJNKJI-GOSISDBHSA-N 2 2 370.294 4.256 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cccc(Br)c1)c1ccccc1 ZINC000608069647 1116080679 /nfs/dbraw/zinc/08/06/79/1116080679.db2.gz DLVWPPMZGJNKJI-SFHVURJKSA-N 2 2 370.294 4.256 20 0 FIADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)C1 ZINC000063917590 1116125795 /nfs/dbraw/zinc/12/57/95/1116125795.db2.gz IYBGHGJZVDBSSS-LJQANCHMSA-N 2 2 374.960 4.023 20 0 FIADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)C1 ZINC000063917590 1116125796 /nfs/dbraw/zinc/12/57/96/1116125796.db2.gz IYBGHGJZVDBSSS-LJQANCHMSA-N 2 2 374.960 4.023 20 0 FIADLP CC(C)Oc1cc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)ccn1 ZINC000535294658 1116292900 /nfs/dbraw/zinc/29/29/00/1116292900.db2.gz PDRTVLGCBNGBQQ-UHFFFAOYSA-N 2 2 362.477 4.219 20 0 FIADLP CC(C)Oc1cc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)ccn1 ZINC000535294658 1116292902 /nfs/dbraw/zinc/29/29/02/1116292902.db2.gz PDRTVLGCBNGBQQ-UHFFFAOYSA-N 2 2 362.477 4.219 20 0 FIADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)s1 ZINC000539659384 1116360644 /nfs/dbraw/zinc/36/06/44/1116360644.db2.gz OOIYXEARSVYGDA-TZMCWYRMSA-N 2 2 350.919 4.110 20 0 FIADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@@H](C)c1ccccc1 ZINC000539691055 1116366333 /nfs/dbraw/zinc/36/63/33/1116366333.db2.gz WJOSNVSISZNDJM-MSOLQXFVSA-N 2 2 352.526 4.216 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C[C@H]1C ZINC000539820940 1116385970 /nfs/dbraw/zinc/38/59/70/1116385970.db2.gz MBZCJXIDVLMIAI-NQIIRXRSSA-N 2 2 354.542 4.300 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C[C@H]1C ZINC000539820940 1116385972 /nfs/dbraw/zinc/38/59/72/1116385972.db2.gz MBZCJXIDVLMIAI-NQIIRXRSSA-N 2 2 354.542 4.300 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C[C@H]1C ZINC000539820940 1116385974 /nfs/dbraw/zinc/38/59/74/1116385974.db2.gz MBZCJXIDVLMIAI-NQIIRXRSSA-N 2 2 354.542 4.300 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C[C@H]1C ZINC000539820940 1116385976 /nfs/dbraw/zinc/38/59/76/1116385976.db2.gz MBZCJXIDVLMIAI-NQIIRXRSSA-N 2 2 354.542 4.300 20 0 FIADLP CCCCOc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1OC ZINC000539822893 1116386468 /nfs/dbraw/zinc/38/64/68/1116386468.db2.gz WEMBVPNKAZYCPS-FQEVSTJZSA-N 2 2 360.542 4.324 20 0 FIADLP CCCCOc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1OC ZINC000539822893 1116386470 /nfs/dbraw/zinc/38/64/70/1116386470.db2.gz WEMBVPNKAZYCPS-FQEVSTJZSA-N 2 2 360.542 4.324 20 0 FIADLP COc1ccc(F)cc1C[NH2+][C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000462905667 1117840425 /nfs/dbraw/zinc/84/04/25/1117840425.db2.gz JAFAQOIZAOBBRJ-CTNGQTDRSA-N 2 2 351.425 4.049 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc(Cl)c1Cl ZINC000540157860 1117902106 /nfs/dbraw/zinc/90/21/06/1117902106.db2.gz QLEDUKVHCHDUJO-ZLIFDBKOSA-N 2 2 357.325 4.022 20 0 FIADLP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)C1(C)C ZINC000463022647 1117919427 /nfs/dbraw/zinc/91/94/27/1117919427.db2.gz FIQBAWOYOMZBFP-HMXCVIKNSA-N 2 2 374.569 4.068 20 0 FIADLP Cc1ccc2c(c1C)OC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463141850 1117980468 /nfs/dbraw/zinc/98/04/68/1117980468.db2.gz COHHNEMCGMSPPQ-JOCHJYFZSA-N 2 2 350.506 4.034 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1F ZINC000463139997 1117987541 /nfs/dbraw/zinc/98/75/41/1117987541.db2.gz FQKXDPJBHOKPNC-HNNXBMFYSA-N 2 2 362.439 4.462 20 0 FIADLP COc1cc(Cl)ccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463149591 1117992769 /nfs/dbraw/zinc/99/27/69/1117992769.db2.gz VJKRBHNRMFJQPT-UHFFFAOYSA-N 2 2 358.913 4.145 20 0 FIADLP CCc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463151766 1117993904 /nfs/dbraw/zinc/99/39/04/1117993904.db2.gz MVJGFDHDBLHKBZ-HSZRJFAPSA-N 2 2 364.533 4.369 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000463263674 1118058065 /nfs/dbraw/zinc/05/80/65/1118058065.db2.gz DDMOZZNRDNMIRY-PLMTUMEDSA-N 2 2 354.469 4.292 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)CC[N@H+]1Cc1ccccc1 ZINC000463263674 1118058071 /nfs/dbraw/zinc/05/80/71/1118058071.db2.gz DDMOZZNRDNMIRY-PLMTUMEDSA-N 2 2 354.469 4.292 20 0 FIADLP Cc1oc2ccccc2c1CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000463278371 1118066464 /nfs/dbraw/zinc/06/64/64/1118066464.db2.gz VWHVHUDBHFVSBG-UHFFFAOYSA-N 2 2 354.416 4.290 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463283787 1118070917 /nfs/dbraw/zinc/07/09/17/1118070917.db2.gz QDYSJDFCDZZRLY-AUSIDOKSSA-N 2 2 374.532 4.323 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463283787 1118070923 /nfs/dbraw/zinc/07/09/23/1118070923.db2.gz QDYSJDFCDZZRLY-AUSIDOKSSA-N 2 2 374.532 4.323 20 0 FIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)o1 ZINC000540510470 1118099160 /nfs/dbraw/zinc/09/91/60/1118099160.db2.gz OZESRWCPGLZNJT-OZQHCQBDSA-N 2 2 368.521 4.302 20 0 FIADLP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000507949492 1118366803 /nfs/dbraw/zinc/36/68/03/1118366803.db2.gz NEJBETDGBKCSHK-CBNMVNINSA-N 2 2 372.553 4.141 20 0 FIADLP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000507949492 1118366806 /nfs/dbraw/zinc/36/68/06/1118366806.db2.gz NEJBETDGBKCSHK-CBNMVNINSA-N 2 2 372.553 4.141 20 0 FIADLP Clc1ccc(Br)c(C[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000464038811 1118415553 /nfs/dbraw/zinc/41/55/53/1118415553.db2.gz CAKFLGOMIZQDTM-UHFFFAOYSA-N 2 2 368.706 4.479 20 0 FIADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1C ZINC000541202326 1118422366 /nfs/dbraw/zinc/42/23/66/1118422366.db2.gz GRCUEIDDQMYJKR-LJQANCHMSA-N 2 2 368.525 4.019 20 0 FIADLP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(OCc3ccc(F)cc3)cc1)CC2 ZINC000541337866 1118484689 /nfs/dbraw/zinc/48/46/89/1118484689.db2.gz RWFYVSNDJVHOAR-UHFFFAOYSA-N 2 2 368.496 4.465 20 0 FIADLP C[N@H+]1CCCC12CC[NH+](Cc1ccc(OCc3ccc(F)cc3)cc1)CC2 ZINC000541337866 1118484691 /nfs/dbraw/zinc/48/46/91/1118484691.db2.gz RWFYVSNDJVHOAR-UHFFFAOYSA-N 2 2 368.496 4.465 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1)CCC2 ZINC000541543906 1118549310 /nfs/dbraw/zinc/54/93/10/1118549310.db2.gz UPYUSJBTYXEJEI-TZIWHRDSSA-N 2 2 364.468 4.291 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000541537484 1118554379 /nfs/dbraw/zinc/55/43/79/1118554379.db2.gz RTIFENGFDJGZES-UHFFFAOYSA-N 2 2 362.452 4.394 20 0 FIADLP Fc1ccc(-c2cc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)on2)cc1 ZINC000542131993 1118807975 /nfs/dbraw/zinc/80/79/75/1118807975.db2.gz FMEVJHFANKGJSM-UHFFFAOYSA-N 2 2 368.456 4.370 20 0 FIADLP Fc1cccc(-c2cnc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)o2)c1 ZINC000542135959 1118811224 /nfs/dbraw/zinc/81/12/24/1118811224.db2.gz ZUMKWBFWTSHERF-UHFFFAOYSA-N 2 2 368.456 4.370 20 0 FIADLP COCCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000177281117 1119321599 /nfs/dbraw/zinc/32/15/99/1119321599.db2.gz MBCDKSLEVPROKB-JOCHJYFZSA-N 2 2 356.485 4.006 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1Br ZINC000178254679 1119380844 /nfs/dbraw/zinc/38/08/44/1119380844.db2.gz QJUWENLJSGFKGZ-GFCCVEGCSA-N 2 2 355.295 4.113 20 0 FIADLP c1cn(-c2csc(C[N@H+](Cc3ccccc3)CC3CCOCC3)c2)c[nH+]1 ZINC000542466844 1119458925 /nfs/dbraw/zinc/45/89/25/1119458925.db2.gz KSFLBGPOVXRSOO-UHFFFAOYSA-N 2 2 367.518 4.363 20 0 FIADLP c1cn(-c2csc(C[N@@H+](Cc3ccccc3)CC3CCOCC3)c2)c[nH+]1 ZINC000542466844 1119458930 /nfs/dbraw/zinc/45/89/30/1119458930.db2.gz KSFLBGPOVXRSOO-UHFFFAOYSA-N 2 2 367.518 4.363 20 0 FIADLP Cc1nc2ccc(C[NH2+]C3CC[NH+]([C@@H](C)c4ccncc4)CC3)cc2s1 ZINC000494173467 1119550787 /nfs/dbraw/zinc/55/07/87/1119550787.db2.gz ROQDXPGUIYIUGS-HNNXBMFYSA-N 2 2 366.534 4.315 20 0 FIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000467344689 1119715112 /nfs/dbraw/zinc/71/51/12/1119715112.db2.gz RBQDNLZPKLMYIC-HXUWFJFHSA-N 2 2 374.532 4.496 20 0 FIADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)C2CCSCC2)CCOCC1)c1ccccc1 ZINC000187230480 1119774296 /nfs/dbraw/zinc/77/42/96/1119774296.db2.gz YIIHHQWIECYJRV-ROUUACIJSA-N 2 2 362.583 4.008 20 0 FIADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000494462420 1119868028 /nfs/dbraw/zinc/86/80/28/1119868028.db2.gz AYCIOBZLOVHNAI-OAHLLOKOSA-N 2 2 355.345 4.058 20 0 FIADLP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000189268366 1119881995 /nfs/dbraw/zinc/88/19/95/1119881995.db2.gz DUVNWCQPVNHFAY-CVDCTZTESA-N 2 2 367.537 4.179 20 0 FIADLP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000189268366 1119882001 /nfs/dbraw/zinc/88/20/01/1119882001.db2.gz DUVNWCQPVNHFAY-CVDCTZTESA-N 2 2 367.537 4.179 20 0 FIADLP Cc1c([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cnn1C(C)(C)C ZINC000191165519 1119963332 /nfs/dbraw/zinc/96/33/32/1119963332.db2.gz FXMSQOOTENCWKY-MRXNPFEDSA-N 2 2 351.498 4.042 20 0 FIADLP Cc1cc([C@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)c2cccnc2)ccc1F ZINC000542488449 1119963535 /nfs/dbraw/zinc/96/35/35/1119963535.db2.gz GOTSVJVGLDKOMJ-AVRDEDQJSA-N 2 2 355.501 4.473 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Br)c(Cl)s2)CC[N@@H+]1C ZINC000191398970 1119974816 /nfs/dbraw/zinc/97/48/16/1119974816.db2.gz QTSWVIZOIZTCDU-VHSXEESVSA-N 2 2 351.741 4.079 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Br)c(Cl)s2)CC[N@H+]1C ZINC000191398970 1119974817 /nfs/dbraw/zinc/97/48/17/1119974817.db2.gz QTSWVIZOIZTCDU-VHSXEESVSA-N 2 2 351.741 4.079 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Br)c(Cl)s2)CC[NH+]1C ZINC000191398970 1119974819 /nfs/dbraw/zinc/97/48/19/1119974819.db2.gz QTSWVIZOIZTCDU-VHSXEESVSA-N 2 2 351.741 4.079 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Br)c(Cl)s2)CC[NH+]1C ZINC000191398970 1119974821 /nfs/dbraw/zinc/97/48/21/1119974821.db2.gz QTSWVIZOIZTCDU-VHSXEESVSA-N 2 2 351.741 4.079 20 0 FIADLP C[C@H]([NH2+]Cc1sccc1Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000193087513 1120098937 /nfs/dbraw/zinc/09/89/37/1120098937.db2.gz GFURQJOEHKUZGA-ZDUSSCGKSA-N 2 2 367.921 4.143 20 0 FIADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H](C)Cc2cccc(F)c2)CC1 ZINC001168470412 1120269742 /nfs/dbraw/zinc/26/97/42/1120269742.db2.gz YCAGGIJKSDEFPZ-MRXNPFEDSA-N 2 2 358.476 4.458 20 0 FIADLP CCOc1ccc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000494940578 1120391630 /nfs/dbraw/zinc/39/16/30/1120391630.db2.gz VHCVULAXWCVQMY-UHFFFAOYSA-N 2 2 371.500 4.358 20 0 FIADLP CCOc1ccc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000494940578 1120391640 /nfs/dbraw/zinc/39/16/40/1120391640.db2.gz VHCVULAXWCVQMY-UHFFFAOYSA-N 2 2 371.500 4.358 20 0 FIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCOC(c3ccccc3)c3ccccc3)C2)[nH]1 ZINC000495003836 1120422117 /nfs/dbraw/zinc/42/21/17/1120422117.db2.gz DHSHDBGQWUUEIK-OAQYLSRUSA-N 2 2 361.489 4.395 20 0 FIADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCOC(c3ccccc3)c3ccccc3)C2)[nH]1 ZINC000495003836 1120422123 /nfs/dbraw/zinc/42/21/23/1120422123.db2.gz DHSHDBGQWUUEIK-OAQYLSRUSA-N 2 2 361.489 4.395 20 0 FIADLP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc(Br)ncc1F ZINC000762737710 1120957083 /nfs/dbraw/zinc/95/70/83/1120957083.db2.gz TVIKMEYYXJXZIU-MJBXVCDLSA-N 2 2 372.326 4.002 20 0 FIADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cc(Br)ncc1F ZINC000762737710 1120957084 /nfs/dbraw/zinc/95/70/84/1120957084.db2.gz TVIKMEYYXJXZIU-MJBXVCDLSA-N 2 2 372.326 4.002 20 0 FIADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000237433723 1120977277 /nfs/dbraw/zinc/97/72/77/1120977277.db2.gz NTROKFSSFOFKKS-RXVVDRJESA-N 2 2 368.521 4.062 20 0 FIADLP COc1ccc(C[C@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000237433597 1120977582 /nfs/dbraw/zinc/97/75/82/1120977582.db2.gz NTROKFSSFOFKKS-GHTZIAJQSA-N 2 2 368.521 4.062 20 0 FIADLP C[C@@H](Cc1cccc(F)c1)[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001168501366 1121111236 /nfs/dbraw/zinc/11/12/36/1121111236.db2.gz NWDOEFSRCWKFDP-KRWDZBQOSA-N 2 2 358.476 4.492 20 0 FIADLP C[C@@H](Cc1cccc(F)c1)[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001168501366 1121111242 /nfs/dbraw/zinc/11/12/42/1121111242.db2.gz NWDOEFSRCWKFDP-KRWDZBQOSA-N 2 2 358.476 4.492 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)c1ccccc1 ZINC000671716163 1121430696 /nfs/dbraw/zinc/43/06/96/1121430696.db2.gz MWIBCQRGAHRJOP-PRPIBZDOSA-N 2 2 353.416 4.285 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000671717558 1121439760 /nfs/dbraw/zinc/43/97/60/1121439760.db2.gz DKXKIOGZZMHJLD-RXYHWBRQSA-N 2 2 357.448 4.188 20 0 FIADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000038097949 1121601349 /nfs/dbraw/zinc/60/13/49/1121601349.db2.gz YOSZDKVAQBDZNG-LBPRGKRZSA-N 2 2 351.288 4.330 20 0 FIADLP COc1ccc2c(c1)CCC[C@@H]2C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000124201867 1121670437 /nfs/dbraw/zinc/67/04/37/1121670437.db2.gz RQIYDFCWIUXTTG-MRXNPFEDSA-N 2 2 370.459 4.122 20 0 FIADLP Fc1ccccc1Oc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1F ZINC000065889319 1121720513 /nfs/dbraw/zinc/72/05/13/1121720513.db2.gz ZYFPTHXIELOOSW-UHFFFAOYSA-N 2 2 358.432 4.474 20 0 FIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000125193535 1121755445 /nfs/dbraw/zinc/75/54/45/1121755445.db2.gz QPDODJXBAYZNJO-UHFFFAOYSA-N 2 2 368.521 4.190 20 0 FIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000125193535 1121755456 /nfs/dbraw/zinc/75/54/56/1121755456.db2.gz QPDODJXBAYZNJO-UHFFFAOYSA-N 2 2 368.521 4.190 20 0 FIADLP CC[NH+]1CCC([N@H+](C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000125250470 1121762562 /nfs/dbraw/zinc/76/25/62/1121762562.db2.gz ARSZPTZLWMPTNP-UHFFFAOYSA-N 2 2 374.960 4.118 20 0 FIADLP CC[NH+]1CCC([N@@H+](C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000125250470 1121762572 /nfs/dbraw/zinc/76/25/72/1121762572.db2.gz ARSZPTZLWMPTNP-UHFFFAOYSA-N 2 2 374.960 4.118 20 0 FIADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671761361 1121790989 /nfs/dbraw/zinc/79/09/89/1121790989.db2.gz XITOJDSMACUEAW-OPAMFIHVSA-N 2 2 365.477 4.239 20 0 FIADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671761361 1121791001 /nfs/dbraw/zinc/79/10/01/1121791001.db2.gz XITOJDSMACUEAW-OPAMFIHVSA-N 2 2 365.477 4.239 20 0 FIADLP c1c[nH]c([C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2)n1 ZINC000125620049 1121798753 /nfs/dbraw/zinc/79/87/53/1121798753.db2.gz KOLJMQVPROJHGT-JOCHJYFZSA-N 2 2 360.505 4.275 20 0 FIADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCC[C@H]2c2nccs2)CC1 ZINC000127706273 1122139238 /nfs/dbraw/zinc/13/92/38/1122139238.db2.gz DFTLQVJBXRXQTA-FQEVSTJZSA-N 2 2 370.566 4.012 20 0 FIADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCCC[C@H]2c2nccs2)CC1 ZINC000127706273 1122139242 /nfs/dbraw/zinc/13/92/42/1122139242.db2.gz DFTLQVJBXRXQTA-FQEVSTJZSA-N 2 2 370.566 4.012 20 0 FIADLP COc1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc2)cc1 ZINC000497384362 1122193694 /nfs/dbraw/zinc/19/36/94/1122193694.db2.gz KCXUQOQASXDLBS-XMMPIXPASA-N 2 2 373.500 4.438 20 0 FIADLP COc1ncc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000556587865 1122989876 /nfs/dbraw/zinc/98/98/76/1122989876.db2.gz GEQKZANZLSASKI-OAHLLOKOSA-N 2 2 359.901 4.059 20 0 FIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000556595818 1122990988 /nfs/dbraw/zinc/99/09/88/1122990988.db2.gz XQIRKPZMASZVHH-KRWDZBQOSA-N 2 2 352.526 4.089 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)no3)C2)CC1 ZINC000498861740 1123048902 /nfs/dbraw/zinc/04/89/02/1123048902.db2.gz UKUFZFYACFDJBQ-IBGZPJMESA-N 2 2 353.510 4.286 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)CC1 ZINC000498861740 1123048906 /nfs/dbraw/zinc/04/89/06/1123048906.db2.gz UKUFZFYACFDJBQ-IBGZPJMESA-N 2 2 353.510 4.286 20 0 FIADLP c1c2ccccc2oc1[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccnc1 ZINC000498927911 1123086409 /nfs/dbraw/zinc/08/64/09/1123086409.db2.gz HGGUXJGTRLXFKU-QFIPXVFZSA-N 2 2 358.445 4.404 20 0 FIADLP Fc1ccc2c(c1)[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCS2 ZINC000132122913 1123220383 /nfs/dbraw/zinc/22/03/83/1123220383.db2.gz YAYZFOGMMGBISF-LJQANCHMSA-N 2 2 367.493 4.440 20 0 FIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000132180135 1123227572 /nfs/dbraw/zinc/22/75/72/1123227572.db2.gz YFBKHWURXIMUOZ-CQSZACIVSA-N 2 2 359.395 4.242 20 0 FIADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1nc(-c2cccs2)no1 ZINC000073637328 1123235311 /nfs/dbraw/zinc/23/53/11/1123235311.db2.gz ARSQHFVFGQHIHT-HNNXBMFYSA-N 2 2 370.522 4.491 20 0 FIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)o1 ZINC000236808814 1123568545 /nfs/dbraw/zinc/56/85/45/1123568545.db2.gz YKQOTNBDFZMIOE-UHFFFAOYSA-N 2 2 374.500 4.373 20 0 FIADLP c1cn(-c2ccc(C[NH2+]Cc3ccccc3OCc3ccncc3)cc2)c[nH+]1 ZINC000921197261 1123577788 /nfs/dbraw/zinc/57/77/88/1123577788.db2.gz DCTDEHHLNBOCJM-UHFFFAOYSA-N 2 2 370.456 4.136 20 0 FIADLP CCC[NH+](CCC)CCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000078560415 1123788448 /nfs/dbraw/zinc/78/84/48/1123788448.db2.gz QZRYLTJVUWNEDB-UHFFFAOYSA-N 2 2 362.905 4.366 20 0 FIADLP C[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000245593992 1124131689 /nfs/dbraw/zinc/13/16/89/1124131689.db2.gz LFQQLWNMYYBTSQ-BVYCBKJFSA-N 2 2 374.488 4.146 20 0 FIADLP C[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000245593992 1124131690 /nfs/dbraw/zinc/13/16/90/1124131690.db2.gz LFQQLWNMYYBTSQ-BVYCBKJFSA-N 2 2 374.488 4.146 20 0 FIADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Oc1cccc(Cl)c1 ZINC000246478678 1124512017 /nfs/dbraw/zinc/51/20/17/1124512017.db2.gz RBTGLUJZJINXKD-CSODHUTKSA-N 2 2 373.928 4.003 20 0 FIADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Oc1cccc(Cl)c1 ZINC000246478678 1124512024 /nfs/dbraw/zinc/51/20/24/1124512024.db2.gz RBTGLUJZJINXKD-CSODHUTKSA-N 2 2 373.928 4.003 20 0 FIADLP CC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Oc1ccccc1C ZINC000246559539 1124532764 /nfs/dbraw/zinc/53/27/64/1124532764.db2.gz XDDPPWFBAPSZQU-FCEUIQTBSA-N 2 2 367.537 4.048 20 0 FIADLP CC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Oc1ccccc1C ZINC000246559539 1124532768 /nfs/dbraw/zinc/53/27/68/1124532768.db2.gz XDDPPWFBAPSZQU-FCEUIQTBSA-N 2 2 367.537 4.048 20 0 FIADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000246813986 1124563387 /nfs/dbraw/zinc/56/33/87/1124563387.db2.gz UABYCDBFGPBLEY-HNAYVOBHSA-N 2 2 358.917 4.020 20 0 FIADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000246813986 1124563391 /nfs/dbraw/zinc/56/33/91/1124563391.db2.gz UABYCDBFGPBLEY-HNAYVOBHSA-N 2 2 358.917 4.020 20 0 FIADLP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000246813986 1124563392 /nfs/dbraw/zinc/56/33/92/1124563392.db2.gz UABYCDBFGPBLEY-HNAYVOBHSA-N 2 2 358.917 4.020 20 0 FIADLP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000246813986 1124563396 /nfs/dbraw/zinc/56/33/96/1124563396.db2.gz UABYCDBFGPBLEY-HNAYVOBHSA-N 2 2 358.917 4.020 20 0 FIADLP CC(C)c1ccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246832908 1124565525 /nfs/dbraw/zinc/56/55/25/1124565525.db2.gz ANPUKYQLZZKCJL-WMZHIEFXSA-N 2 2 367.537 4.084 20 0 FIADLP CC(C)c1ccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246832908 1124565533 /nfs/dbraw/zinc/56/55/33/1124565533.db2.gz ANPUKYQLZZKCJL-WMZHIEFXSA-N 2 2 367.537 4.084 20 0 FIADLP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246868441 1124569161 /nfs/dbraw/zinc/56/91/61/1124569161.db2.gz CIPKNIXATNSWMB-DENIHFKCSA-N 2 2 351.538 4.168 20 0 FIADLP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246868441 1124569172 /nfs/dbraw/zinc/56/91/72/1124569172.db2.gz CIPKNIXATNSWMB-DENIHFKCSA-N 2 2 351.538 4.168 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cc(F)ccc1F ZINC000246928940 1124574850 /nfs/dbraw/zinc/57/48/50/1124574850.db2.gz HBHRMBOXRNUENF-HZPDHXFCSA-N 2 2 360.448 4.036 20 0 FIADLP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246997594 1124579265 /nfs/dbraw/zinc/57/92/65/1124579265.db2.gz LIUZEDVRFUEGIS-DENIHFKCSA-N 2 2 351.538 4.168 20 0 FIADLP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246997594 1124579267 /nfs/dbraw/zinc/57/92/67/1124579267.db2.gz LIUZEDVRFUEGIS-DENIHFKCSA-N 2 2 351.538 4.168 20 0 FIADLP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246993968 1124579514 /nfs/dbraw/zinc/57/95/14/1124579514.db2.gz KZFKCPPAIUOGJL-DENIHFKCSA-N 2 2 351.538 4.168 20 0 FIADLP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246993968 1124579519 /nfs/dbraw/zinc/57/95/19/1124579519.db2.gz KZFKCPPAIUOGJL-DENIHFKCSA-N 2 2 351.538 4.168 20 0 FIADLP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H](C[NH+]4CCCC[C@H]4C)C3)cnc21 ZINC000247115768 1124592207 /nfs/dbraw/zinc/59/22/07/1124592207.db2.gz YNPGLJAHBBXFRH-MOPGFXCFSA-N 2 2 369.557 4.099 20 0 FIADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H](C[NH+]4CCCC[C@H]4C)C3)cnc21 ZINC000247115768 1124592213 /nfs/dbraw/zinc/59/22/13/1124592213.db2.gz YNPGLJAHBBXFRH-MOPGFXCFSA-N 2 2 369.557 4.099 20 0 FIADLP CC(C)n1ncc2cc(C[NH+]3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)cnc21 ZINC000247115768 1124592217 /nfs/dbraw/zinc/59/22/17/1124592217.db2.gz YNPGLJAHBBXFRH-MOPGFXCFSA-N 2 2 369.557 4.099 20 0 FIADLP CC(C)n1ncc2cc(C[NH+]3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)cnc21 ZINC000247115768 1124592221 /nfs/dbraw/zinc/59/22/21/1124592221.db2.gz YNPGLJAHBBXFRH-MOPGFXCFSA-N 2 2 369.557 4.099 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248402540 1124762236 /nfs/dbraw/zinc/76/22/36/1124762236.db2.gz NHPKBHIHABRBKT-UEXGIBASSA-N 3 2 366.553 4.484 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248402540 1124762240 /nfs/dbraw/zinc/76/22/40/1124762240.db2.gz NHPKBHIHABRBKT-UEXGIBASSA-N 3 2 366.553 4.484 20 0 FIADLP CC(C)c1nc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cs1 ZINC000248992755 1124834753 /nfs/dbraw/zinc/83/47/53/1124834753.db2.gz LJYTWMIXNKPLRK-LPHOPBHVSA-N 2 2 373.566 4.074 20 0 FIADLP CC(C)c1nc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cs1 ZINC000248992755 1124834762 /nfs/dbraw/zinc/83/47/62/1124834762.db2.gz LJYTWMIXNKPLRK-LPHOPBHVSA-N 2 2 373.566 4.074 20 0 FIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)o2)[C@H]1c1cccs1 ZINC000249390058 1124855735 /nfs/dbraw/zinc/85/57/35/1124855735.db2.gz FQXNFYLIHZQWLW-LRDDRELGSA-N 2 2 369.328 4.276 20 0 FIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)o2)[C@H]1c1cccs1 ZINC000249390058 1124855737 /nfs/dbraw/zinc/85/57/37/1124855737.db2.gz FQXNFYLIHZQWLW-LRDDRELGSA-N 2 2 369.328 4.276 20 0 FIADLP COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)c21 ZINC000181335071 1124869289 /nfs/dbraw/zinc/86/92/89/1124869289.db2.gz VCSOPKBPDTVZHQ-MRXNPFEDSA-N 2 2 360.461 4.256 20 0 FIADLP CC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Oc1cccc(C)c1 ZINC000090218727 1124989632 /nfs/dbraw/zinc/98/96/32/1124989632.db2.gz JCLRPWQLBDOHAL-XKCSPQBFSA-N 2 2 367.537 4.048 20 0 FIADLP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Oc1cccc(C)c1 ZINC000090218727 1124989638 /nfs/dbraw/zinc/98/96/38/1124989638.db2.gz JCLRPWQLBDOHAL-XKCSPQBFSA-N 2 2 367.537 4.048 20 0 FIADLP Cc1ccc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000091287848 1125063025 /nfs/dbraw/zinc/06/30/25/1125063025.db2.gz BTFNQUUEXUGCTP-HSZRJFAPSA-N 2 2 350.506 4.068 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1nc2ccccc2n1C ZINC000091313604 1125064096 /nfs/dbraw/zinc/06/40/96/1125064096.db2.gz VZLQURSBNBJICV-IAGOWNOFSA-N 2 2 368.550 4.198 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1nc2ccccc2n1C ZINC000091313604 1125064102 /nfs/dbraw/zinc/06/41/02/1125064102.db2.gz VZLQURSBNBJICV-IAGOWNOFSA-N 2 2 368.550 4.198 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091367584 1125068311 /nfs/dbraw/zinc/06/83/11/1125068311.db2.gz RANHPQJINMBQOW-AWEZNQCLSA-N 2 2 360.933 4.284 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1nc2ccccc2n1C ZINC000091368158 1125068670 /nfs/dbraw/zinc/06/86/70/1125068670.db2.gz TUBGUUULHLXZGT-WSTZPKSXSA-N 2 2 362.521 4.277 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1nc2ccccc2n1C ZINC000091368158 1125068678 /nfs/dbraw/zinc/06/86/78/1125068678.db2.gz TUBGUUULHLXZGT-WSTZPKSXSA-N 2 2 362.521 4.277 20 0 FIADLP Brc1ccc2c(c1)[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CCC2 ZINC000091676306 1125086915 /nfs/dbraw/zinc/08/69/15/1125086915.db2.gz MBOGXRVALHDELR-SFHVURJKSA-N 2 2 360.299 4.360 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnn(C(C)(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000093318656 1125298345 /nfs/dbraw/zinc/29/83/45/1125298345.db2.gz UMFVPQKAJOZYSR-RXVVDRJESA-N 2 2 354.542 4.123 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnn(C(C)(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000093318656 1125298352 /nfs/dbraw/zinc/29/83/52/1125298352.db2.gz UMFVPQKAJOZYSR-RXVVDRJESA-N 2 2 354.542 4.123 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnn(C(C)(C)C)c2)CC[NH+]1Cc1ccccc1 ZINC000093318656 1125298356 /nfs/dbraw/zinc/29/83/56/1125298356.db2.gz UMFVPQKAJOZYSR-RXVVDRJESA-N 2 2 354.542 4.123 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnn(C(C)(C)C)c2)CC[NH+]1Cc1ccccc1 ZINC000093318656 1125298362 /nfs/dbraw/zinc/29/83/62/1125298362.db2.gz UMFVPQKAJOZYSR-RXVVDRJESA-N 2 2 354.542 4.123 20 0 FIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000093372785 1125316675 /nfs/dbraw/zinc/31/66/75/1125316675.db2.gz FODJVEWIGYDFEE-MRXNPFEDSA-N 2 2 366.534 4.160 20 0 FIADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000603883830 568176810 /nfs/dbraw/zinc/17/68/10/568176810.db2.gz KNQLKEKQTDOHJT-UHFFFAOYSA-N 2 2 370.456 4.219 20 0 FIADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000603883830 568176811 /nfs/dbraw/zinc/17/68/11/568176811.db2.gz KNQLKEKQTDOHJT-UHFFFAOYSA-N 2 2 370.456 4.219 20 0 FIADLP c1cn(-c2cccc(C[NH2+]Cc3ccccc3OCc3cccnc3)c2)c[nH+]1 ZINC000604418100 568276125 /nfs/dbraw/zinc/27/61/25/568276125.db2.gz GYQZMPOTGGWAEY-UHFFFAOYSA-N 2 2 370.456 4.136 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(Br)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390818605 568279319 /nfs/dbraw/zinc/27/93/19/568279319.db2.gz RECRYMICCQNRBF-GOEBONIOSA-N 2 2 363.299 4.042 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(Br)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390818605 568279320 /nfs/dbraw/zinc/27/93/20/568279320.db2.gz RECRYMICCQNRBF-GOEBONIOSA-N 2 2 363.299 4.042 20 0 FIADLP Brc1ccc(/C=C\CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000604997993 568508258 /nfs/dbraw/zinc/50/82/58/568508258.db2.gz YHIRNWFGVJDGDB-TTXOHTOLSA-N 2 2 360.299 4.386 20 0 FIADLP Brc1ccc(/C=C\CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000604997993 568508260 /nfs/dbraw/zinc/50/82/60/568508260.db2.gz YHIRNWFGVJDGDB-TTXOHTOLSA-N 2 2 360.299 4.386 20 0 FIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nccs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165561 568594115 /nfs/dbraw/zinc/59/41/15/568594115.db2.gz JQMACEKREQUKEU-WMLDXEAASA-N 2 2 369.456 4.335 20 0 FIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2nccs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165561 568594118 /nfs/dbraw/zinc/59/41/18/568594118.db2.gz JQMACEKREQUKEU-WMLDXEAASA-N 2 2 369.456 4.335 20 0 FIADLP c1csc(C[N@H+](Cc2coc3ccccc23)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261899193 571030556 /nfs/dbraw/zinc/03/05/56/571030556.db2.gz WGVKFGLBYWYKOO-GOSISDBHSA-N 2 2 353.491 4.034 20 0 FIADLP c1csc(C[N@@H+](Cc2coc3ccccc23)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261899193 571030562 /nfs/dbraw/zinc/03/05/62/571030562.db2.gz WGVKFGLBYWYKOO-GOSISDBHSA-N 2 2 353.491 4.034 20 0 FIADLP CC(C)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]c1 ZINC001165020645 721814631 /nfs/dbraw/zinc/81/46/31/721814631.db2.gz CFNQUOLZCHQLHH-KSEOMHKRSA-N 2 2 364.537 4.337 20 0 FIADLP CC(C)c1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]c1 ZINC001165020645 721814632 /nfs/dbraw/zinc/81/46/32/721814632.db2.gz CFNQUOLZCHQLHH-KSEOMHKRSA-N 2 2 364.537 4.337 20 0 FIADLP CC(C)c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)[nH+]c1 ZINC001164952087 722018154 /nfs/dbraw/zinc/01/81/54/722018154.db2.gz GZZXNSIVURCBNE-UHFFFAOYSA-N 2 2 350.510 4.093 20 0 FIADLP CC(C)c1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)[nH+]c1 ZINC001164952087 722018155 /nfs/dbraw/zinc/01/81/55/722018155.db2.gz GZZXNSIVURCBNE-UHFFFAOYSA-N 2 2 350.510 4.093 20 0 FIADLP CCCc1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(C)[nH+]1 ZINC001164995339 722204329 /nfs/dbraw/zinc/20/43/29/722204329.db2.gz MDNVSRKOECZTDC-QFIPXVFZSA-N 2 2 368.500 4.122 20 0 FIADLP CCCc1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(C)[nH+]1 ZINC001164995339 722204330 /nfs/dbraw/zinc/20/43/30/722204330.db2.gz MDNVSRKOECZTDC-QFIPXVFZSA-N 2 2 368.500 4.122 20 0 FIADLP Cc1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(C2CC2)[nH+]1 ZINC001164993827 722210057 /nfs/dbraw/zinc/21/00/57/722210057.db2.gz CEJQOFXNNUTGJA-QFIPXVFZSA-N 2 2 366.484 4.046 20 0 FIADLP Cc1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(C2CC2)[nH+]1 ZINC001164993827 722210059 /nfs/dbraw/zinc/21/00/59/722210059.db2.gz CEJQOFXNNUTGJA-QFIPXVFZSA-N 2 2 366.484 4.046 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1F ZINC000763539966 1125550611 /nfs/dbraw/zinc/55/06/11/1125550611.db2.gz SAIVTDYAZCZOJU-YJBOKZPZSA-N 2 2 354.897 4.163 20 0 FIADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152832453 1125663595 /nfs/dbraw/zinc/66/35/95/1125663595.db2.gz GQJLMRGZQIMRKK-INIZCTEOSA-N 2 2 350.293 4.346 20 0 FIADLP Fc1ccccc1[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000179991351 1080402767 /nfs/dbraw/zinc/40/27/67/1080402767.db2.gz WTPITNHIRPRWAY-SFHVURJKSA-N 2 2 374.257 4.164 20 0 FIADLP Fc1cc(Br)ccc1[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000179992136 1080402856 /nfs/dbraw/zinc/40/28/56/1080402856.db2.gz CVQWCVXYSJEYRX-GOSISDBHSA-N 2 2 374.257 4.164 20 0 FIADLP c1cn(Cc2ccc(C[NH2+][C@H](c3ccccc3)c3ccccn3)cc2)c[nH+]1 ZINC000180091914 1080439876 /nfs/dbraw/zinc/43/98/76/1080439876.db2.gz BWQORDNMZJMTKZ-HSZRJFAPSA-N 2 2 354.457 4.206 20 0 FIADLP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccco2)CC1 ZINC000443665690 1080567557 /nfs/dbraw/zinc/56/75/57/1080567557.db2.gz ISEMGPFZFCRNKZ-UHFFFAOYSA-N 2 2 361.367 4.169 20 0 FIADLP C[C@H]([NH2+]Cc1ncoc1-c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547825905 1080942288 /nfs/dbraw/zinc/94/22/88/1080942288.db2.gz WGRDPHLVKBWDBC-GHTZIAJQSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@H]([NH2+]Cc1ncoc1-c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547825905 1080942291 /nfs/dbraw/zinc/94/22/91/1080942291.db2.gz WGRDPHLVKBWDBC-GHTZIAJQSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000655680546 1081109187 /nfs/dbraw/zinc/10/91/87/1081109187.db2.gz PLBOJUONOIQUTF-DGCLKSJQSA-N 2 2 361.288 4.036 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Oc1ccccc1 ZINC000655704746 1081126427 /nfs/dbraw/zinc/12/64/27/1081126427.db2.gz JZYYWDVDTBKYGL-AZUAARDMSA-N 2 2 366.505 4.383 20 0 FIADLP CC1(C)CC[C@@H]2C[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c3cccc1c32 ZINC000655737894 1081156303 /nfs/dbraw/zinc/15/63/03/1081156303.db2.gz GWMBGKLAAWDXAG-HGHGUNKESA-N 2 2 354.538 4.129 20 0 FIADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655848506 1081257072 /nfs/dbraw/zinc/25/70/72/1081257072.db2.gz GFYYRULWEBSGFA-YYWHXJBOSA-N 2 2 372.557 4.228 20 0 FIADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655848506 1081257074 /nfs/dbraw/zinc/25/70/74/1081257074.db2.gz GFYYRULWEBSGFA-YYWHXJBOSA-N 2 2 372.557 4.228 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000706487546 1081794826 /nfs/dbraw/zinc/79/48/26/1081794826.db2.gz CMFWBIKOKDOXGR-UHFFFAOYSA-N 2 2 359.739 4.455 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)C[C@H]1c1ccccc1 ZINC000580578767 1082024659 /nfs/dbraw/zinc/02/46/59/1082024659.db2.gz HQGYLEIRPCLVFI-UXHICEINSA-N 2 2 353.510 4.184 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)C[C@H]1c1ccccc1 ZINC000580578767 1082024665 /nfs/dbraw/zinc/02/46/65/1082024665.db2.gz HQGYLEIRPCLVFI-UXHICEINSA-N 2 2 353.510 4.184 20 0 FIADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000580606137 1082041678 /nfs/dbraw/zinc/04/16/78/1082041678.db2.gz RBTFRYLNKSQGFR-QFIPXVFZSA-N 2 2 351.469 4.427 20 0 FIADLP Fc1ccc([C@H](C[C@@H]2CCCO2)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000581004716 1082275007 /nfs/dbraw/zinc/27/50/07/1082275007.db2.gz QFTHAOXQINTYRV-VXKWHMMOSA-N 2 2 365.452 4.411 20 0 FIADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000581278677 1082430012 /nfs/dbraw/zinc/43/00/12/1082430012.db2.gz WVYDVJQGVPGEBQ-SJCJKPOMSA-N 2 2 355.309 4.041 20 0 FIADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000581278677 1082430014 /nfs/dbraw/zinc/43/00/14/1082430014.db2.gz WVYDVJQGVPGEBQ-SJCJKPOMSA-N 2 2 355.309 4.041 20 0 FIADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000581278677 1082430016 /nfs/dbraw/zinc/43/00/16/1082430016.db2.gz WVYDVJQGVPGEBQ-SJCJKPOMSA-N 2 2 355.309 4.041 20 0 FIADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000581278677 1082430019 /nfs/dbraw/zinc/43/00/19/1082430019.db2.gz WVYDVJQGVPGEBQ-SJCJKPOMSA-N 2 2 355.309 4.041 20 0 FIADLP Cc1ccc(C[C@@H](C)[N@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001167454204 1082457683 /nfs/dbraw/zinc/45/76/83/1082457683.db2.gz QFUOKFFXNUQPPG-ZJSXRUAMSA-N 2 2 366.549 4.149 20 0 FIADLP Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001167454204 1082457689 /nfs/dbraw/zinc/45/76/89/1082457689.db2.gz QFUOKFFXNUQPPG-ZJSXRUAMSA-N 2 2 366.549 4.149 20 0 FIADLP Cc1ccc(C[C@@H](C)[NH+](C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001167454204 1082457692 /nfs/dbraw/zinc/45/76/92/1082457692.db2.gz QFUOKFFXNUQPPG-ZJSXRUAMSA-N 2 2 366.549 4.149 20 0 FIADLP Cc1ccc(C[C@@H](C)[NH+](C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001167454204 1082457694 /nfs/dbraw/zinc/45/76/94/1082457694.db2.gz QFUOKFFXNUQPPG-ZJSXRUAMSA-N 2 2 366.549 4.149 20 0 FIADLP C[C@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1cccc(OCC[NH+](C)C)c1 ZINC000430756067 1083151783 /nfs/dbraw/zinc/15/17/83/1083151783.db2.gz RYRVFFVTEHRTFW-LBPRGKRZSA-N 2 2 370.390 4.034 20 0 FIADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCC[C@@H]2CCCF)CCOCC1)c1ccccc1 ZINC000510654486 1083222621 /nfs/dbraw/zinc/22/26/21/1083222621.db2.gz YGDCKZIGHNWKQC-TYPHKJRUSA-N 2 2 362.533 4.394 20 0 FIADLP c1cc(Sc2ccccn2)oc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000510668809 1083232659 /nfs/dbraw/zinc/23/26/59/1083232659.db2.gz ZOZGAZNWVMIITD-UHFFFAOYSA-N 2 2 354.479 4.203 20 0 FIADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000510706050 1083250352 /nfs/dbraw/zinc/25/03/52/1083250352.db2.gz RNQFCVZSGVFLCX-INIZCTEOSA-N 2 2 355.432 4.321 20 0 FIADLP C[C@H]1C[NH+](Cc2cncc(C[N@@H+]3CCC(F)(F)[C@@H](C)C3)c2)CCC1(F)F ZINC000581984396 1083321739 /nfs/dbraw/zinc/32/17/39/1083321739.db2.gz BYAYLMZYAMBVPV-GJZGRUSLSA-N 2 2 373.438 4.036 20 0 FIADLP C[C@H]1C[NH+](Cc2cncc(C[N@H+]3CCC(F)(F)[C@@H](C)C3)c2)CCC1(F)F ZINC000581984396 1083321744 /nfs/dbraw/zinc/32/17/44/1083321744.db2.gz BYAYLMZYAMBVPV-GJZGRUSLSA-N 2 2 373.438 4.036 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000658250157 1083374291 /nfs/dbraw/zinc/37/42/91/1083374291.db2.gz AXXDEZZYPUNSHB-HZEGPAAWSA-N 2 2 371.569 4.008 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000658250157 1083374300 /nfs/dbraw/zinc/37/43/00/1083374300.db2.gz AXXDEZZYPUNSHB-HZEGPAAWSA-N 2 2 371.569 4.008 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)c2Cl)[C@@H](C)C1 ZINC001167684167 1083377957 /nfs/dbraw/zinc/37/79/57/1083377957.db2.gz CTUSFGBKGDSNHT-SWLSCSKDSA-N 2 2 359.739 4.265 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)c2Cl)[C@@H](C)C1 ZINC001167684167 1083377966 /nfs/dbraw/zinc/37/79/66/1083377966.db2.gz CTUSFGBKGDSNHT-SWLSCSKDSA-N 2 2 359.739 4.265 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Br)c2Cl)[C@@H](C)C1 ZINC001167684167 1083377978 /nfs/dbraw/zinc/37/79/78/1083377978.db2.gz CTUSFGBKGDSNHT-SWLSCSKDSA-N 2 2 359.739 4.265 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Br)c2Cl)[C@@H](C)C1 ZINC001167684167 1083377990 /nfs/dbraw/zinc/37/79/90/1083377990.db2.gz CTUSFGBKGDSNHT-SWLSCSKDSA-N 2 2 359.739 4.265 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000658292196 1083396171 /nfs/dbraw/zinc/39/61/71/1083396171.db2.gz QMCZLNGQDRDRDO-MAUKXSAKSA-N 2 2 357.325 4.287 20 0 FIADLP Clc1ccccc1[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294481 1083397519 /nfs/dbraw/zinc/39/75/19/1083397519.db2.gz HXQLDNFSWHGYLE-LMNJBCLMSA-N 2 2 362.945 4.209 20 0 FIADLP CC(C)(C)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000658296238 1083398743 /nfs/dbraw/zinc/39/87/43/1083398743.db2.gz YGLKYAFVSPDQBQ-RXVVDRJESA-N 2 2 356.510 4.363 20 0 FIADLP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295417 1083399071 /nfs/dbraw/zinc/39/90/71/1083399071.db2.gz SUZJCQUZDNSJHR-SFTDATJTSA-N 2 2 364.961 4.140 20 0 FIADLP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000092564061 1083438553 /nfs/dbraw/zinc/43/85/53/1083438553.db2.gz PIPUARWPXOBJRR-UHFFFAOYSA-N 2 2 373.472 4.002 20 0 FIADLP C[N@H+](Cc1ccc(Cl)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645374 1083463144 /nfs/dbraw/zinc/46/31/44/1083463144.db2.gz CSVFYPLDTBZGLZ-UHFFFAOYSA-N 2 2 361.892 4.013 20 0 FIADLP C[N@@H+](Cc1ccc(Cl)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645374 1083463149 /nfs/dbraw/zinc/46/31/49/1083463149.db2.gz CSVFYPLDTBZGLZ-UHFFFAOYSA-N 2 2 361.892 4.013 20 0 FIADLP Cc1ccccc1C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510938079 1083513170 /nfs/dbraw/zinc/51/31/70/1083513170.db2.gz QISFCEWOTVBGHB-UHFFFAOYSA-N 2 2 374.282 4.249 20 0 FIADLP Cc1ccccc1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510938079 1083513179 /nfs/dbraw/zinc/51/31/79/1083513179.db2.gz QISFCEWOTVBGHB-UHFFFAOYSA-N 2 2 374.282 4.249 20 0 FIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001167499186 1084015905 /nfs/dbraw/zinc/01/59/05/1084015905.db2.gz DFZSTYBGWNILCI-NHCUHLMSSA-N 2 2 353.485 4.315 20 0 FIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001167499186 1084015917 /nfs/dbraw/zinc/01/59/17/1084015917.db2.gz DFZSTYBGWNILCI-NHCUHLMSSA-N 2 2 353.485 4.315 20 0 FIADLP Cc1ccc2[nH]c(C[NH2+]CCc3[nH+]ccn3Cc3ccccc3)cc2c1C ZINC000472036590 1084132804 /nfs/dbraw/zinc/13/28/04/1084132804.db2.gz YKCIFRMRNGPZIF-UHFFFAOYSA-N 2 2 358.489 4.362 20 0 FIADLP C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001167504293 1084141942 /nfs/dbraw/zinc/14/19/42/1084141942.db2.gz JLYPVFBJNWAARU-WZONZLPQSA-N 2 2 368.496 4.241 20 0 FIADLP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001167504293 1084141952 /nfs/dbraw/zinc/14/19/52/1084141952.db2.gz JLYPVFBJNWAARU-WZONZLPQSA-N 2 2 368.496 4.241 20 0 FIADLP Cc1ccc2[nH]c(C[NH2+]C3CC[NH+]([C@H](C)c4ccncc4)CC3)cc2c1C ZINC000472064157 1084215193 /nfs/dbraw/zinc/21/51/93/1084215193.db2.gz HPBXMUBUQQAXIY-GOSISDBHSA-N 2 2 362.521 4.495 20 0 FIADLP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472502585 1084338661 /nfs/dbraw/zinc/33/86/61/1084338661.db2.gz OLYVDTVYRNRJMB-HOCLYGCPSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472502585 1084338671 /nfs/dbraw/zinc/33/86/71/1084338671.db2.gz OLYVDTVYRNRJMB-HOCLYGCPSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@@H](c1ccccc1Br)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472502585 1084338683 /nfs/dbraw/zinc/33/86/83/1084338683.db2.gz OLYVDTVYRNRJMB-HOCLYGCPSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@@H](c1ccccc1Br)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472502585 1084338693 /nfs/dbraw/zinc/33/86/93/1084338693.db2.gz OLYVDTVYRNRJMB-HOCLYGCPSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@H]1CCCOC1 ZINC000511048785 1084365440 /nfs/dbraw/zinc/36/54/40/1084365440.db2.gz PMVXDUGBBOVPLF-ZNEWLNCYSA-N 2 2 364.533 4.059 20 0 FIADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@H]1CCCOC1 ZINC000511048785 1084365453 /nfs/dbraw/zinc/36/54/53/1084365453.db2.gz PMVXDUGBBOVPLF-ZNEWLNCYSA-N 2 2 364.533 4.059 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414092658 1084524078 /nfs/dbraw/zinc/52/40/78/1084524078.db2.gz FKNFFGUHZBYJEC-NSISKUIASA-N 2 2 359.558 4.179 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(C)c1 ZINC000414111812 1084587406 /nfs/dbraw/zinc/58/74/06/1084587406.db2.gz XKRPDIGNAJAJDQ-MSOLQXFVSA-N 2 2 353.510 4.275 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414114012 1084600755 /nfs/dbraw/zinc/60/07/55/1084600755.db2.gz LITYFVBCALQJAX-PKOBYXMFSA-N 2 2 364.961 4.455 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414166175 1084725978 /nfs/dbraw/zinc/72/59/78/1084725978.db2.gz DOGCFYIWBIQAFS-SOHDHNSJSA-N 2 2 373.903 4.230 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414166175 1084725983 /nfs/dbraw/zinc/72/59/83/1084725983.db2.gz DOGCFYIWBIQAFS-SOHDHNSJSA-N 2 2 373.903 4.230 20 0 FIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2F)[C@@H]1c1cccs1 ZINC000657375126 1084792487 /nfs/dbraw/zinc/79/24/87/1084792487.db2.gz VDUVATMZFUJGSS-SCLBCKFNSA-N 2 2 354.441 4.338 20 0 FIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2F)[C@@H]1c1cccs1 ZINC000657375126 1084792494 /nfs/dbraw/zinc/79/24/94/1084792494.db2.gz VDUVATMZFUJGSS-SCLBCKFNSA-N 2 2 354.441 4.338 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccc(F)cc2F)CC[N@@H+]1C ZINC000657382589 1084825097 /nfs/dbraw/zinc/82/50/97/1084825097.db2.gz SATASBNTFUZYQP-KXBFYZLASA-N 2 2 360.448 4.116 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccc(F)cc2F)CC[N@H+]1C ZINC000657382589 1084825103 /nfs/dbraw/zinc/82/51/03/1084825103.db2.gz SATASBNTFUZYQP-KXBFYZLASA-N 2 2 360.448 4.116 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000657413099 1084947696 /nfs/dbraw/zinc/94/76/96/1084947696.db2.gz SNHWDXFGXMPXFB-INIZCTEOSA-N 2 2 369.484 4.077 20 0 FIADLP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000472577600 1084991175 /nfs/dbraw/zinc/99/11/75/1084991175.db2.gz COGFJQNSANLRLT-YJBOKZPZSA-N 2 2 351.332 4.318 20 0 FIADLP CC[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000472577600 1084991177 /nfs/dbraw/zinc/99/11/77/1084991177.db2.gz COGFJQNSANLRLT-YJBOKZPZSA-N 2 2 351.332 4.318 20 0 FIADLP c1cn(CCCC2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)c[nH+]1 ZINC000582453340 1085022517 /nfs/dbraw/zinc/02/25/17/1085022517.db2.gz FYANJPIXQQGSGB-UHFFFAOYSA-N 2 2 367.522 4.094 20 0 FIADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000159225693 1085113799 /nfs/dbraw/zinc/11/37/99/1085113799.db2.gz BSKTTZVQCMBPFX-UHFFFAOYSA-N 2 2 370.541 4.399 20 0 FIADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000159225693 1085113818 /nfs/dbraw/zinc/11/38/18/1085113818.db2.gz BSKTTZVQCMBPFX-UHFFFAOYSA-N 2 2 370.541 4.399 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OCC2CC2)C[C@H]1C ZINC001167589977 1085248810 /nfs/dbraw/zinc/24/88/10/1085248810.db2.gz LVEISXIMZWIUQU-DNVCBOLYSA-N 2 2 350.934 4.433 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OCC2CC2)C[C@H]1C ZINC001167589977 1085248823 /nfs/dbraw/zinc/24/88/23/1085248823.db2.gz LVEISXIMZWIUQU-DNVCBOLYSA-N 2 2 350.934 4.433 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OCC2CC2)C[C@H]1C ZINC001167589977 1085248829 /nfs/dbraw/zinc/24/88/29/1085248829.db2.gz LVEISXIMZWIUQU-DNVCBOLYSA-N 2 2 350.934 4.433 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OCC2CC2)C[C@H]1C ZINC001167589977 1085248841 /nfs/dbraw/zinc/24/88/41/1085248841.db2.gz LVEISXIMZWIUQU-DNVCBOLYSA-N 2 2 350.934 4.433 20 0 FIADLP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684957974 1085314642 /nfs/dbraw/zinc/31/46/42/1085314642.db2.gz RCZBTQUCVUXVLE-WOJBJXKFSA-N 2 2 365.452 4.129 20 0 FIADLP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684957972 1085315408 /nfs/dbraw/zinc/31/54/08/1085315408.db2.gz RCZBTQUCVUXVLE-UXHICEINSA-N 2 2 365.452 4.129 20 0 FIADLP CC[C@@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000651822086 1085528141 /nfs/dbraw/zinc/52/81/41/1085528141.db2.gz KEWWFCAQSRAPLC-YADHBBJMSA-N 2 2 357.542 4.168 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccccc1 ZINC000657648433 1085753219 /nfs/dbraw/zinc/75/32/19/1085753219.db2.gz KTUMKZQRASUXSW-LJQANCHMSA-N 2 2 367.880 4.082 20 0 FIADLP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1Cl ZINC000582927145 1085929343 /nfs/dbraw/zinc/92/93/43/1085929343.db2.gz STEYOLCBUXAFST-XAMWDVODSA-N 2 2 351.966 4.041 20 0 FIADLP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1Cl ZINC000582927145 1085929349 /nfs/dbraw/zinc/92/93/49/1085929349.db2.gz STEYOLCBUXAFST-XAMWDVODSA-N 2 2 351.966 4.041 20 0 FIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 ZINC000582944702 1085947595 /nfs/dbraw/zinc/94/75/95/1085947595.db2.gz AQZDOLCZSSXIGF-SXLOBPIMSA-N 2 2 354.542 4.165 20 0 FIADLP CCc1onc(C)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167646878 1086016332 /nfs/dbraw/zinc/01/63/32/1086016332.db2.gz IHDYXPFOLSBFNN-FPOVZHCZSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1onc(C)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167646878 1086016345 /nfs/dbraw/zinc/01/63/45/1086016345.db2.gz IHDYXPFOLSBFNN-FPOVZHCZSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1onc(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001167646878 1086016358 /nfs/dbraw/zinc/01/63/58/1086016358.db2.gz IHDYXPFOLSBFNN-FPOVZHCZSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1onc(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001167646878 1086016372 /nfs/dbraw/zinc/01/63/72/1086016372.db2.gz IHDYXPFOLSBFNN-FPOVZHCZSA-N 2 2 353.510 4.032 20 0 FIADLP Fc1cccc(N2CCCC2)c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000583170908 1086340862 /nfs/dbraw/zinc/34/08/62/1086340862.db2.gz SJMLQHJRDJQCDT-UHFFFAOYSA-N 2 2 370.516 4.315 20 0 FIADLP c1cc(Sc2ccccn2)oc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344332 1086446681 /nfs/dbraw/zinc/44/66/81/1086446681.db2.gz ROKUZFYCQSCKRJ-QGZVFWFLSA-N 2 2 357.523 4.037 20 0 FIADLP c1cc(Sc2ccccn2)oc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344332 1086446685 /nfs/dbraw/zinc/44/66/85/1086446685.db2.gz ROKUZFYCQSCKRJ-QGZVFWFLSA-N 2 2 357.523 4.037 20 0 FIADLP c1cn2c(n1)[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CCc1ccccc1-2 ZINC000663351859 1086452339 /nfs/dbraw/zinc/45/23/39/1086452339.db2.gz OTZAZTZYRZDODF-OAQYLSRUSA-N 2 2 364.537 4.246 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cc2n(n1)CCCC2 ZINC000647282989 1086503548 /nfs/dbraw/zinc/50/35/48/1086503548.db2.gz CSJKODCBQNBEQM-RBUKOAKNSA-N 2 2 366.553 4.445 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cc2n(n1)CCCC2 ZINC000647282989 1086503557 /nfs/dbraw/zinc/50/35/57/1086503557.db2.gz CSJKODCBQNBEQM-RBUKOAKNSA-N 2 2 366.553 4.445 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000583290507 1086530411 /nfs/dbraw/zinc/53/04/11/1086530411.db2.gz ZOYHWNOSWSGQQH-YKSBVNFPSA-N 3 2 374.532 4.074 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000583290507 1086530418 /nfs/dbraw/zinc/53/04/18/1086530418.db2.gz ZOYHWNOSWSGQQH-YKSBVNFPSA-N 3 2 374.532 4.074 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000165551177 1086536964 /nfs/dbraw/zinc/53/69/64/1086536964.db2.gz LYBXJEPTPYGUER-CVDCTZTESA-N 3 2 374.532 4.171 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000165551177 1086536970 /nfs/dbraw/zinc/53/69/70/1086536970.db2.gz LYBXJEPTPYGUER-CVDCTZTESA-N 3 2 374.532 4.171 20 0 FIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+]2CCC[C@H]2C2CC2)c1=S ZINC000728562368 1086550141 /nfs/dbraw/zinc/55/01/41/1086550141.db2.gz MXVFJBSMEPSSRA-IRXDYDNUSA-N 2 2 365.591 4.059 20 0 FIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+]2CCC[C@H]2C2CC2)c1=S ZINC000728562368 1086550148 /nfs/dbraw/zinc/55/01/48/1086550148.db2.gz MXVFJBSMEPSSRA-IRXDYDNUSA-N 2 2 365.591 4.059 20 0 FIADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001648931032 1086623430 /nfs/dbraw/zinc/62/34/30/1086623430.db2.gz QHXSLCYFDIWALM-RBBKRZOGSA-N 2 2 374.569 4.092 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1cc2n(n1)CCCC2 ZINC000647288738 1086629966 /nfs/dbraw/zinc/62/99/66/1086629966.db2.gz MYTLEYSYEKHCNY-IBGZPJMESA-N 2 2 366.553 4.446 20 0 FIADLP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1cc2n(n1)CCCC2 ZINC000647291654 1086674425 /nfs/dbraw/zinc/67/44/25/1086674425.db2.gz VIADKHJWWMSNMI-QRVBRYPASA-N 2 2 366.553 4.027 20 0 FIADLP C[C@@H]1C[N@H+](CCC[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CCCO1 ZINC000432412905 1086735040 /nfs/dbraw/zinc/73/50/40/1086735040.db2.gz JBZXFICIYHJFKA-QGZVFWFLSA-N 2 2 374.475 4.145 20 0 FIADLP C[C@@H]1C[N@@H+](CCC[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CCCO1 ZINC000432412905 1086735045 /nfs/dbraw/zinc/73/50/45/1086735045.db2.gz JBZXFICIYHJFKA-QGZVFWFLSA-N 2 2 374.475 4.145 20 0 FIADLP C[C@H]1C[N@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CCCO1 ZINC000432423359 1086751884 /nfs/dbraw/zinc/75/18/84/1086751884.db2.gz JMMDHQOAFHNGTO-AVRDEDQJSA-N 2 2 356.485 4.006 20 0 FIADLP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CCCO1 ZINC000432423359 1086751895 /nfs/dbraw/zinc/75/18/95/1086751895.db2.gz JMMDHQOAFHNGTO-AVRDEDQJSA-N 2 2 356.485 4.006 20 0 FIADLP COCC[N@H+](C)CC[C@@H]([NH2+]Cc1ccc2occc2c1)c1ccccc1 ZINC000512132677 1086802717 /nfs/dbraw/zinc/80/27/17/1086802717.db2.gz WNFDDFYRQRJUBM-OAQYLSRUSA-N 2 2 352.478 4.232 20 0 FIADLP COCC[N@@H+](C)CC[C@@H]([NH2+]Cc1ccc2occc2c1)c1ccccc1 ZINC000512132677 1086802734 /nfs/dbraw/zinc/80/27/34/1086802734.db2.gz WNFDDFYRQRJUBM-OAQYLSRUSA-N 2 2 352.478 4.232 20 0 FIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cccc2Br ZINC000318604297 1086845104 /nfs/dbraw/zinc/84/51/04/1086845104.db2.gz ADYYMNLZUDYGGW-IRXDYDNUSA-N 2 2 362.315 4.337 20 0 FIADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000318739415 1086905165 /nfs/dbraw/zinc/90/51/65/1086905165.db2.gz WADZPQVLGOMISE-YOEHRIQHSA-N 2 2 364.331 4.281 20 0 FIADLP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCn2cc[nH+]c2)CCC3)cc1 ZINC000151139555 1086955434 /nfs/dbraw/zinc/95/54/34/1086955434.db2.gz NKOUCLNTZPMUIR-KRWDZBQOSA-N 2 2 368.506 4.073 20 0 FIADLP Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CCn4cc[nH+]c4C2)CCC3)cc1 ZINC000427900204 1087027492 /nfs/dbraw/zinc/02/74/92/1087027492.db2.gz YILMHWXQKDTATR-CVEARBPZSA-N 2 2 368.481 4.128 20 0 FIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000081631115 1087328867 /nfs/dbraw/zinc/32/88/67/1087328867.db2.gz QPVCNGUWAGFJAQ-INIZCTEOSA-N 2 2 359.901 4.159 20 0 FIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000081631115 1087328871 /nfs/dbraw/zinc/32/88/71/1087328871.db2.gz QPVCNGUWAGFJAQ-INIZCTEOSA-N 2 2 359.901 4.159 20 0 FIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000081631115 1087328876 /nfs/dbraw/zinc/32/88/76/1087328876.db2.gz QPVCNGUWAGFJAQ-INIZCTEOSA-N 2 2 359.901 4.159 20 0 FIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000081631115 1087328883 /nfs/dbraw/zinc/32/88/83/1087328883.db2.gz QPVCNGUWAGFJAQ-INIZCTEOSA-N 2 2 359.901 4.159 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000090920010 1087411420 /nfs/dbraw/zinc/41/14/20/1087411420.db2.gz CELNMENXGWBWAV-PGRDOPGGSA-N 3 2 369.528 4.030 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000090920010 1087411422 /nfs/dbraw/zinc/41/14/22/1087411422.db2.gz CELNMENXGWBWAV-PGRDOPGGSA-N 3 2 369.528 4.030 20 0 FIADLP COCC[NH+]1CCC([NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000685657511 1087664773 /nfs/dbraw/zinc/66/47/73/1087664773.db2.gz GWQPNVAGFVUMAZ-GOSISDBHSA-N 2 2 357.325 4.145 20 0 FIADLP Fc1cccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cccc(Cl)c2)c1 ZINC000685662276 1087668300 /nfs/dbraw/zinc/66/83/00/1087668300.db2.gz GDFWQCHTBSJNSN-FXAWDEMLSA-N 2 2 355.844 4.439 20 0 FIADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(Cl)c1 ZINC000424256216 1087877765 /nfs/dbraw/zinc/87/77/65/1087877765.db2.gz IWAJBWWNTDKBHV-HNNXBMFYSA-N 2 2 355.869 4.444 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(Cl)c1 ZINC000424264487 1087887625 /nfs/dbraw/zinc/88/76/25/1087887625.db2.gz IMICAABLEUMWEI-MRXNPFEDSA-N 2 2 369.896 4.487 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434477361 1088661766 /nfs/dbraw/zinc/66/17/66/1088661766.db2.gz OSQXLQMSPOHAMB-AWEZNQCLSA-N 2 2 352.309 4.224 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434477361 1088661794 /nfs/dbraw/zinc/66/17/94/1088661794.db2.gz OSQXLQMSPOHAMB-AWEZNQCLSA-N 2 2 352.309 4.224 20 0 FIADLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000434635209 1088882343 /nfs/dbraw/zinc/88/23/43/1088882343.db2.gz FQABRJXDYSZIKM-JOCHJYFZSA-N 2 2 372.516 4.098 20 0 FIADLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000434635209 1088882367 /nfs/dbraw/zinc/88/23/67/1088882367.db2.gz FQABRJXDYSZIKM-JOCHJYFZSA-N 2 2 372.516 4.098 20 0 FIADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000434635209 1088882388 /nfs/dbraw/zinc/88/23/88/1088882388.db2.gz FQABRJXDYSZIKM-JOCHJYFZSA-N 2 2 372.516 4.098 20 0 FIADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000434635209 1088882406 /nfs/dbraw/zinc/88/24/06/1088882406.db2.gz FQABRJXDYSZIKM-JOCHJYFZSA-N 2 2 372.516 4.098 20 0 FIADLP Cc1ccc2[nH]c(C[NH+]3CC[C@@H](C[N@@H+](C)Cc4cccnc4)C3)cc2c1C ZINC000434637952 1088909928 /nfs/dbraw/zinc/90/99/28/1088909928.db2.gz PZBBNTIZAKVGSC-FQEVSTJZSA-N 2 2 362.521 4.134 20 0 FIADLP Cc1ccc2[nH]c(C[NH+]3CC[C@@H](C[N@H+](C)Cc4cccnc4)C3)cc2c1C ZINC000434637952 1088909933 /nfs/dbraw/zinc/90/99/33/1088909933.db2.gz PZBBNTIZAKVGSC-FQEVSTJZSA-N 2 2 362.521 4.134 20 0 FIADLP Cc1ccc2[nH]c(C[N@H+]3CC[C@@H](C[NH+](C)Cc4cccnc4)C3)cc2c1C ZINC000434637952 1088909936 /nfs/dbraw/zinc/90/99/36/1088909936.db2.gz PZBBNTIZAKVGSC-FQEVSTJZSA-N 2 2 362.521 4.134 20 0 FIADLP Cc1ccc2[nH]c(C[N@@H+]3CC[C@@H](C[NH+](C)Cc4cccnc4)C3)cc2c1C ZINC000434637952 1088909937 /nfs/dbraw/zinc/90/99/37/1088909937.db2.gz PZBBNTIZAKVGSC-FQEVSTJZSA-N 2 2 362.521 4.134 20 0 FIADLP Cc1ccc2c(C[NH2+][C@H](C)c3cccc(-n4cc[nH+]c4)c3)ccc(O)c2n1 ZINC000514235446 1088926083 /nfs/dbraw/zinc/92/60/83/1088926083.db2.gz CDQZAQVKWLTGKS-MRXNPFEDSA-N 2 2 358.445 4.285 20 0 FIADLP Fc1cccc2[nH]c(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cc21 ZINC000435056992 1089245647 /nfs/dbraw/zinc/24/56/47/1089245647.db2.gz AJAWCNRLBGEBNX-UHFFFAOYSA-N 2 2 352.457 4.219 20 0 FIADLP FC(F)(F)c1cccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435387709 1089593045 /nfs/dbraw/zinc/59/30/45/1089593045.db2.gz BDIAINJBODFTMU-IBGZPJMESA-N 2 2 363.427 4.245 20 0 FIADLP FC(F)(F)c1cccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435387709 1089593062 /nfs/dbraw/zinc/59/30/62/1089593062.db2.gz BDIAINJBODFTMU-IBGZPJMESA-N 2 2 363.427 4.245 20 0 FIADLP [NH3+]C[C@H]1CCC[N@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000435398444 1089623437 /nfs/dbraw/zinc/62/34/37/1089623437.db2.gz OXHKTKFGCYIZIC-LLVKDONJSA-N 2 2 356.322 4.288 20 0 FIADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000435398444 1089623444 /nfs/dbraw/zinc/62/34/44/1089623444.db2.gz OXHKTKFGCYIZIC-LLVKDONJSA-N 2 2 356.322 4.288 20 0 FIADLP c1cc(C[N@H+](Cc2csc(C3CC3)n2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435428690 1089644977 /nfs/dbraw/zinc/64/49/77/1089644977.db2.gz TYNYPDAENCHKGJ-QGZVFWFLSA-N 2 2 359.564 4.226 20 0 FIADLP c1cc(C[N@@H+](Cc2csc(C3CC3)n2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435428690 1089644987 /nfs/dbraw/zinc/64/49/87/1089644987.db2.gz TYNYPDAENCHKGJ-QGZVFWFLSA-N 2 2 359.564 4.226 20 0 FIADLP CSc1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435427127 1089646287 /nfs/dbraw/zinc/64/62/87/1089646287.db2.gz LGUGFSOIGJWRAO-QGZVFWFLSA-N 2 2 359.564 4.009 20 0 FIADLP CSc1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435427127 1089646295 /nfs/dbraw/zinc/64/62/95/1089646295.db2.gz LGUGFSOIGJWRAO-QGZVFWFLSA-N 2 2 359.564 4.009 20 0 FIADLP Cc1ncsc1C[N@@H+](Cc1ccc2ccccc2c1)C[C@H]1CC[NH2+]C1 ZINC000435447002 1089673204 /nfs/dbraw/zinc/67/32/04/1089673204.db2.gz DTXFHTLJXPQCDL-SFHVURJKSA-N 2 2 351.519 4.216 20 0 FIADLP Cc1ncsc1C[N@H+](Cc1ccc2ccccc2c1)C[C@H]1CC[NH2+]C1 ZINC000435447002 1089673214 /nfs/dbraw/zinc/67/32/14/1089673214.db2.gz DTXFHTLJXPQCDL-SFHVURJKSA-N 2 2 351.519 4.216 20 0 FIADLP c1coc(-c2cc(C[N@@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)no2)c1 ZINC000435697773 1089881203 /nfs/dbraw/zinc/88/12/03/1089881203.db2.gz ZAMSZPCFMKOGLB-IBGZPJMESA-N 2 2 369.490 4.140 20 0 FIADLP c1coc(-c2cc(C[N@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)no2)c1 ZINC000435697773 1089881221 /nfs/dbraw/zinc/88/12/21/1089881221.db2.gz ZAMSZPCFMKOGLB-IBGZPJMESA-N 2 2 369.490 4.140 20 0 FIADLP CC[N@H+](C[C@@H](OC)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000549350462 1089891315 /nfs/dbraw/zinc/89/13/15/1089891315.db2.gz XNZYSHJTGXKUHW-OAQYLSRUSA-N 2 2 353.510 4.008 20 0 FIADLP CC[N@@H+](C[C@@H](OC)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000549350462 1089891329 /nfs/dbraw/zinc/89/13/29/1089891329.db2.gz XNZYSHJTGXKUHW-OAQYLSRUSA-N 2 2 353.510 4.008 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425402048 1089892292 /nfs/dbraw/zinc/89/22/92/1089892292.db2.gz HUAFXDLVJVFVGK-FPOVZHCZSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425402048 1089892318 /nfs/dbraw/zinc/89/23/18/1089892318.db2.gz HUAFXDLVJVFVGK-FPOVZHCZSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425402048 1089892333 /nfs/dbraw/zinc/89/23/33/1089892333.db2.gz HUAFXDLVJVFVGK-FPOVZHCZSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425402048 1089892354 /nfs/dbraw/zinc/89/23/54/1089892354.db2.gz HUAFXDLVJVFVGK-FPOVZHCZSA-N 2 2 364.537 4.230 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000182094260 1090048630 /nfs/dbraw/zinc/04/86/30/1090048630.db2.gz YRVMAUVLWQNFLI-QGZVFWFLSA-N 2 2 364.468 4.076 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000182094260 1090048642 /nfs/dbraw/zinc/04/86/42/1090048642.db2.gz YRVMAUVLWQNFLI-QGZVFWFLSA-N 2 2 364.468 4.076 20 0 FIADLP Cc1ccc(C2CC([NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390572979 1091278389 /nfs/dbraw/zinc/27/83/89/1091278389.db2.gz OVXVIPMCZNQTRU-KXTRFFEISA-N 2 2 364.533 4.122 20 0 FIADLP Cc1ccc(C2CC([NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390572979 1091278400 /nfs/dbraw/zinc/27/84/00/1091278400.db2.gz OVXVIPMCZNQTRU-KXTRFFEISA-N 2 2 364.533 4.122 20 0 FIADLP COc1ccc(OC)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000390645240 1091352177 /nfs/dbraw/zinc/35/21/77/1091352177.db2.gz LXEQBFPGBBVQDS-QFIPXVFZSA-N 2 2 368.521 4.094 20 0 FIADLP COc1ccc(OC)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000390645240 1091352188 /nfs/dbraw/zinc/35/21/88/1091352188.db2.gz LXEQBFPGBBVQDS-QFIPXVFZSA-N 2 2 368.521 4.094 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000500372940 1091379962 /nfs/dbraw/zinc/37/99/62/1091379962.db2.gz QPXJSYLERQYCKD-KKLQWCBXSA-N 2 2 364.537 4.318 20 0 FIADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000187388110 1091877927 /nfs/dbraw/zinc/87/79/27/1091877927.db2.gz AAMZDHUWTTVVNA-WMZHIEFXSA-N 2 2 351.538 4.464 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000512205440 1091910118 /nfs/dbraw/zinc/91/01/18/1091910118.db2.gz ZDVYEWPBFDXALJ-QZTJIDSGSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000512205440 1091910119 /nfs/dbraw/zinc/91/01/19/1091910119.db2.gz ZDVYEWPBFDXALJ-QZTJIDSGSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000512205440 1091910121 /nfs/dbraw/zinc/91/01/21/1091910121.db2.gz ZDVYEWPBFDXALJ-QZTJIDSGSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000512205440 1091910122 /nfs/dbraw/zinc/91/01/22/1091910122.db2.gz ZDVYEWPBFDXALJ-QZTJIDSGSA-N 2 2 370.566 4.292 20 0 FIADLP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OCCC(C)C ZINC000512364680 1092165975 /nfs/dbraw/zinc/16/59/75/1092165975.db2.gz KIQYSKDAVUTXHD-UHFFFAOYSA-N 2 2 357.498 4.223 20 0 FIADLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OCc1ccccc1 ZINC000432797142 1092395735 /nfs/dbraw/zinc/39/57/35/1092395735.db2.gz CXIKNTXTUXKLTI-OAQYLSRUSA-N 2 2 368.521 4.190 20 0 FIADLP COc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OCc1ccccc1 ZINC000432797142 1092395742 /nfs/dbraw/zinc/39/57/42/1092395742.db2.gz CXIKNTXTUXKLTI-OAQYLSRUSA-N 2 2 368.521 4.190 20 0 FIADLP Clc1ccc(-c2nc3c(s2)[C@H]([NH2+]CC24CC(C2)C[NH2+]4)CCC3)cc1 ZINC000665277746 1092529652 /nfs/dbraw/zinc/52/96/52/1092529652.db2.gz KLRYQFQDBJMFEU-WXYZLBAPSA-N 2 2 359.926 4.183 20 0 FIADLP Brc1ccccc1-c1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000509538376 1092543557 /nfs/dbraw/zinc/54/35/57/1092543557.db2.gz INOIGWOEQJBAFF-UHFFFAOYSA-N 2 2 370.294 4.493 20 0 FIADLP COC(=O)c1cc([C@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)oc1C ZINC000432836026 1092583581 /nfs/dbraw/zinc/58/35/81/1092583581.db2.gz RNTRCYVLDUWWRR-FUHWJXTLSA-N 2 2 362.514 4.024 20 0 FIADLP COC(=O)c1cc([C@H](C)[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)oc1C ZINC000432836026 1092583591 /nfs/dbraw/zinc/58/35/91/1092583591.db2.gz RNTRCYVLDUWWRR-FUHWJXTLSA-N 2 2 362.514 4.024 20 0 FIADLP COC(=O)c1cc([C@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)oc1C ZINC000432837727 1092587216 /nfs/dbraw/zinc/58/72/16/1092587216.db2.gz VOJJXIZNYBKZJH-RYRKJORJSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1cc([C@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)oc1C ZINC000432837727 1092587227 /nfs/dbraw/zinc/58/72/27/1092587227.db2.gz VOJJXIZNYBKZJH-RYRKJORJSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1cc([C@H](C)[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)oc1C ZINC000432837727 1092587231 /nfs/dbraw/zinc/58/72/31/1092587231.db2.gz VOJJXIZNYBKZJH-RYRKJORJSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1cc([C@H](C)[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)oc1C ZINC000432837727 1092587238 /nfs/dbraw/zinc/58/72/38/1092587238.db2.gz VOJJXIZNYBKZJH-RYRKJORJSA-N 2 2 362.514 4.022 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000245580299 1092666359 /nfs/dbraw/zinc/66/63/59/1092666359.db2.gz GVLGBLJCEROEDN-NPFVIJTESA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000245580299 1092666369 /nfs/dbraw/zinc/66/63/69/1092666369.db2.gz GVLGBLJCEROEDN-NPFVIJTESA-N 2 2 353.485 4.098 20 0 FIADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(-c3ccccc3Cl)on2)CC1 ZINC000419204714 1092711798 /nfs/dbraw/zinc/71/17/98/1092711798.db2.gz JAHMJNXLMCMUPF-UHFFFAOYSA-N 2 2 370.884 4.183 20 0 FIADLP COCCC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000442781544 1092760075 /nfs/dbraw/zinc/76/00/75/1092760075.db2.gz OIZOBRWSDMIFAE-OAQYLSRUSA-N 2 2 353.441 4.269 20 0 FIADLP FC(F)C1CCC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000442872089 1092819138 /nfs/dbraw/zinc/81/91/38/1092819138.db2.gz JBDSPJCEULTJTC-UHFFFAOYSA-N 2 2 354.407 4.205 20 0 FIADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(Cl)s3)CC2)c1 ZINC000521819120 1092937763 /nfs/dbraw/zinc/93/77/63/1092937763.db2.gz RZDVYFYZMSPPMS-UHFFFAOYSA-N 2 2 363.958 4.012 20 0 FIADLP C[NH+](C)C1CC[NH+](Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 ZINC000648002269 1092972060 /nfs/dbraw/zinc/97/20/60/1092972060.db2.gz JXYULHIBIRMRBL-UHFFFAOYSA-N 2 2 360.448 4.070 20 0 FIADLP Brc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000522039020 1093048611 /nfs/dbraw/zinc/04/86/11/1093048611.db2.gz ASRWGNRIFARZJY-GOEBONIOSA-N 2 2 360.299 4.087 20 0 FIADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(OC)c(OC)c1 ZINC000152235249 1093209015 /nfs/dbraw/zinc/20/90/15/1093209015.db2.gz YRITYIJYRIIOJZ-GOSISDBHSA-N 2 2 351.450 4.130 20 0 FIADLP CC(C)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1nc(C2CC2)no1 ZINC000411487162 1093330867 /nfs/dbraw/zinc/33/08/67/1093330867.db2.gz INRZHOYVCUAHGI-HXUWFJFHSA-N 2 2 368.525 4.420 20 0 FIADLP CCc1ccc([C@H](COC)[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000411518796 1093349339 /nfs/dbraw/zinc/34/93/39/1093349339.db2.gz QGMWRWXTNROHMY-NRFANRHFSA-N 2 2 356.510 4.305 20 0 FIADLP COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000509815762 1093425122 /nfs/dbraw/zinc/42/51/22/1093425122.db2.gz ZINRGNOSVLKQOJ-CPNJWEJPSA-N 2 2 361.489 4.271 20 0 FIADLP CCOc1ccnc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168025038 1093426428 /nfs/dbraw/zinc/42/64/28/1093426428.db2.gz AWSSECCFNDIAQA-OPVJXMOQSA-N 2 2 353.510 4.012 20 0 FIADLP CCOc1ccnc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168025038 1093426436 /nfs/dbraw/zinc/42/64/36/1093426436.db2.gz AWSSECCFNDIAQA-OPVJXMOQSA-N 2 2 353.510 4.012 20 0 FIADLP CC(C)C[NH+]1CCC([NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168031239 1093615734 /nfs/dbraw/zinc/61/57/34/1093615734.db2.gz YEFZJPMZTYLZBF-WOJBJXKFSA-N 3 2 357.586 4.138 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2(Sc3ccccc3)CC2)CC1 ZINC000513059099 1093712523 /nfs/dbraw/zinc/71/25/23/1093712523.db2.gz REJOEVOBDYBAHA-UHFFFAOYSA-N 2 2 358.473 4.318 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513430618 1094119086 /nfs/dbraw/zinc/11/90/86/1094119086.db2.gz XBTPRECZOOPMML-HXUWFJFHSA-N 2 2 360.590 4.343 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513430618 1094119092 /nfs/dbraw/zinc/11/90/92/1094119092.db2.gz XBTPRECZOOPMML-HXUWFJFHSA-N 2 2 360.590 4.343 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cc2n(n1)CCC2 ZINC000414081381 1094220698 /nfs/dbraw/zinc/22/06/98/1094220698.db2.gz VFDDDQKEVZMLHQ-MSOLQXFVSA-N 2 2 352.526 4.055 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cc2n(n1)CCC2 ZINC000414081381 1094220707 /nfs/dbraw/zinc/22/07/07/1094220707.db2.gz VFDDDQKEVZMLHQ-MSOLQXFVSA-N 2 2 352.526 4.055 20 0 FIADLP CC(C)CCn1cccc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434007614 1094234243 /nfs/dbraw/zinc/23/42/43/1094234243.db2.gz IIIXRFWMTXSOQD-UNMCSNQZSA-N 2 2 354.542 4.054 20 0 FIADLP CC(C)CCn1cccc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434007614 1094234245 /nfs/dbraw/zinc/23/42/45/1094234245.db2.gz IIIXRFWMTXSOQD-UNMCSNQZSA-N 2 2 354.542 4.054 20 0 FIADLP CC(C)CCn1cccc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434007614 1094234249 /nfs/dbraw/zinc/23/42/49/1094234249.db2.gz IIIXRFWMTXSOQD-UNMCSNQZSA-N 2 2 354.542 4.054 20 0 FIADLP CC(C)CCn1cccc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434007614 1094234253 /nfs/dbraw/zinc/23/42/53/1094234253.db2.gz IIIXRFWMTXSOQD-UNMCSNQZSA-N 2 2 354.542 4.054 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)[C@@H](C)c1nc3ccccc3s1)CCC2 ZINC000474814615 1094660990 /nfs/dbraw/zinc/66/09/90/1094660990.db2.gz XYJQGAVZKXFHSN-PMPSAXMXSA-N 2 2 354.523 4.460 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc2c(s1)CCC2 ZINC000502054515 1095074412 /nfs/dbraw/zinc/07/44/12/1095074412.db2.gz SFYQLHDSFJDTRD-BQFCYCMXSA-N 2 2 355.551 4.193 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2c(s1)CCC2 ZINC000502054515 1095074427 /nfs/dbraw/zinc/07/44/27/1095074427.db2.gz SFYQLHDSFJDTRD-BQFCYCMXSA-N 2 2 355.551 4.193 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1nc(C(C)(C)C)cs1 ZINC000420923911 1095166525 /nfs/dbraw/zinc/16/65/25/1095166525.db2.gz RDMQJVMUUYLANY-INIZCTEOSA-N 2 2 373.566 4.124 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1nc(C(C)(C)C)cs1 ZINC000420923912 1095166839 /nfs/dbraw/zinc/16/68/39/1095166839.db2.gz RDMQJVMUUYLANY-MRXNPFEDSA-N 2 2 373.566 4.124 20 0 FIADLP CC(C)[C@H](C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000475038883 1095254141 /nfs/dbraw/zinc/25/41/41/1095254141.db2.gz NICWGKZRTMZVPC-VABKMULXSA-N 2 2 351.538 4.446 20 0 FIADLP CC(C)[C@H](C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000475038883 1095254159 /nfs/dbraw/zinc/25/41/59/1095254159.db2.gz NICWGKZRTMZVPC-VABKMULXSA-N 2 2 351.538 4.446 20 0 FIADLP CC(C)[C@H](C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000475038883 1095254173 /nfs/dbraw/zinc/25/41/73/1095254173.db2.gz NICWGKZRTMZVPC-VABKMULXSA-N 2 2 351.538 4.446 20 0 FIADLP CC(C)[C@H](C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000475038883 1095254179 /nfs/dbraw/zinc/25/41/79/1095254179.db2.gz NICWGKZRTMZVPC-VABKMULXSA-N 2 2 351.538 4.446 20 0 FIADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000502292472 1095315217 /nfs/dbraw/zinc/31/52/17/1095315217.db2.gz WTJBNZHSDUYDNJ-PZJWPPBQSA-N 2 2 364.537 4.280 20 0 FIADLP CCOc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1OC ZINC000502322967 1095347503 /nfs/dbraw/zinc/34/75/03/1095347503.db2.gz SSVGALYRSHOAJV-SFHVURJKSA-N 2 2 369.509 4.006 20 0 FIADLP CCOc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1OC ZINC000502322967 1095347521 /nfs/dbraw/zinc/34/75/21/1095347521.db2.gz SSVGALYRSHOAJV-SFHVURJKSA-N 2 2 369.509 4.006 20 0 FIADLP COc1ccccc1/C=C\C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502324955 1095349767 /nfs/dbraw/zinc/34/97/67/1095349767.db2.gz GXJVJJJDMLUVAJ-WMHRWZGDSA-N 2 2 351.494 4.121 20 0 FIADLP Fc1cc2cccnc2c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502330575 1095368651 /nfs/dbraw/zinc/36/86/51/1095368651.db2.gz FYYCWEHQIGWKJU-QGZVFWFLSA-N 2 2 364.468 4.286 20 0 FIADLP Fc1cc2cccnc2c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502330575 1095368666 /nfs/dbraw/zinc/36/86/66/1095368666.db2.gz FYYCWEHQIGWKJU-QGZVFWFLSA-N 2 2 364.468 4.286 20 0 FIADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1Cl ZINC000502333852 1095371584 /nfs/dbraw/zinc/37/15/84/1095371584.db2.gz PLXOKSPFYHAJGW-INIZCTEOSA-N 2 2 359.901 4.261 20 0 FIADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1Cl ZINC000502333852 1095371601 /nfs/dbraw/zinc/37/16/01/1095371601.db2.gz PLXOKSPFYHAJGW-INIZCTEOSA-N 2 2 359.901 4.261 20 0 FIADLP COc1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502327433 1095384441 /nfs/dbraw/zinc/38/44/41/1095384441.db2.gz RWLLYCRDMZMSOJ-OAHLLOKOSA-N 2 2 359.901 4.261 20 0 FIADLP Cc1c(Cl)c(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)nn1C ZINC000421324159 1095523074 /nfs/dbraw/zinc/52/30/74/1095523074.db2.gz HXUFFQOWHKWKHO-HOTGVXAUSA-N 2 2 374.960 4.150 20 0 FIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cnn(C2CCCC2)c1 ZINC000502686734 1095701693 /nfs/dbraw/zinc/70/16/93/1095701693.db2.gz LCLYSCQMIBKYNY-SFHVURJKSA-N 2 2 363.509 4.136 20 0 FIADLP COc1ccc([C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C2CC2)c(F)c1 ZINC000421818357 1095953936 /nfs/dbraw/zinc/95/39/36/1095953936.db2.gz AIJIBNRKBXAPJR-JOCHJYFZSA-N 2 2 365.452 4.320 20 0 FIADLP Fc1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)cc1 ZINC000273557029 1096274253 /nfs/dbraw/zinc/27/42/53/1096274253.db2.gz ZSBHLLXQXDEWQK-CTNGQTDRSA-N 2 2 351.425 4.021 20 0 FIADLP C[C@@H](CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)OCc1ccccc1 ZINC000503413771 1096390475 /nfs/dbraw/zinc/39/04/75/1096390475.db2.gz BOCQYHFZPDQVBC-PZJWPPBQSA-N 2 2 367.537 4.394 20 0 FIADLP C[C@@H](CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)OCc1ccccc1 ZINC000503413771 1096390482 /nfs/dbraw/zinc/39/04/82/1096390482.db2.gz BOCQYHFZPDQVBC-PZJWPPBQSA-N 2 2 367.537 4.394 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCCOCCc3ccccc3)C2)n2c1CCCC2 ZINC000503443108 1096410339 /nfs/dbraw/zinc/41/03/39/1096410339.db2.gz WBXICHKYMXOIDK-OAQYLSRUSA-N 2 2 367.537 4.048 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@H+](CCCOCCc3ccccc3)C2)n2c1CCCC2 ZINC000503443108 1096410353 /nfs/dbraw/zinc/41/03/53/1096410353.db2.gz WBXICHKYMXOIDK-OAQYLSRUSA-N 2 2 367.537 4.048 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422641315 1096434930 /nfs/dbraw/zinc/43/49/30/1096434930.db2.gz XOKUNOVEIRGFGJ-KSZLIROESA-N 2 2 359.558 4.177 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422641315 1096434938 /nfs/dbraw/zinc/43/49/38/1096434938.db2.gz XOKUNOVEIRGFGJ-KSZLIROESA-N 2 2 359.558 4.177 20 0 FIADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422990332 1096539738 /nfs/dbraw/zinc/53/97/38/1096539738.db2.gz BQXSUENXLMXBDJ-XZOQPEGZSA-N 3 2 361.489 4.146 20 0 FIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422990332 1096539747 /nfs/dbraw/zinc/53/97/47/1096539747.db2.gz BQXSUENXLMXBDJ-XZOQPEGZSA-N 3 2 361.489 4.146 20 0 FIADLP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423040868 1096557188 /nfs/dbraw/zinc/55/71/88/1096557188.db2.gz IEJUBDBGFXXWEI-RYFAJOAYSA-N 2 2 360.542 4.062 20 0 FIADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2)c2ccccc21 ZINC000423194088 1096613245 /nfs/dbraw/zinc/61/32/45/1096613245.db2.gz WJIDYDRLQSEKID-HOTGVXAUSA-N 2 2 351.675 4.337 20 0 FIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000423242456 1096626449 /nfs/dbraw/zinc/62/64/49/1096626449.db2.gz LZJWDQLTAOYCTG-MGPUTAFESA-N 2 2 365.521 4.390 20 0 FIADLP FC(F)(F)c1ccc([C@H]([NH2+]CC2C[NH2+]C2)c2ccc(Cl)cc2)cc1 ZINC000423299050 1096645605 /nfs/dbraw/zinc/64/56/05/1096645605.db2.gz AYISDHNEVJUTMY-KRWDZBQOSA-N 2 2 354.803 4.257 20 0 FIADLP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423360028 1096657145 /nfs/dbraw/zinc/65/71/45/1096657145.db2.gz FEUVFVWVWFHAKY-KFNAQCHYSA-N 2 2 350.375 4.121 20 0 FIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000423502699 1096700854 /nfs/dbraw/zinc/70/08/54/1096700854.db2.gz MGEUUQGGNDBVMA-SUMWQHHRSA-N 2 2 364.436 4.210 20 0 FIADLP COCC[N@H+](C)CC[C@@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)c1ccccc1 ZINC000436226176 1098835072 /nfs/dbraw/zinc/83/50/72/1098835072.db2.gz HCSJCQKFRZDIER-OAQYLSRUSA-N 2 2 369.484 4.106 20 0 FIADLP COCC[N@@H+](C)CC[C@@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)c1ccccc1 ZINC000436226176 1098835084 /nfs/dbraw/zinc/83/50/84/1098835084.db2.gz HCSJCQKFRZDIER-OAQYLSRUSA-N 2 2 369.484 4.106 20 0 FIADLP COc1ncc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1Cl ZINC000533557796 1099169716 /nfs/dbraw/zinc/16/97/16/1099169716.db2.gz UIYBRZIRYATPBN-QFBILLFUSA-N 2 2 373.928 4.229 20 0 FIADLP COc1ncc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1Cl ZINC000533557796 1099169719 /nfs/dbraw/zinc/16/97/19/1099169719.db2.gz UIYBRZIRYATPBN-QFBILLFUSA-N 2 2 373.928 4.229 20 0 FIADLP COc1ncc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1Cl ZINC000533557796 1099169724 /nfs/dbraw/zinc/16/97/24/1099169724.db2.gz UIYBRZIRYATPBN-QFBILLFUSA-N 2 2 373.928 4.229 20 0 FIADLP COc1ncc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1Cl ZINC000533557796 1099169732 /nfs/dbraw/zinc/16/97/32/1099169732.db2.gz UIYBRZIRYATPBN-QFBILLFUSA-N 2 2 373.928 4.229 20 0 FIADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455486421 1099270078 /nfs/dbraw/zinc/27/00/78/1099270078.db2.gz RVYVTDAHVWWGMX-UHFFFAOYSA-N 2 2 368.525 4.383 20 0 FIADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000437134768 1099633425 /nfs/dbraw/zinc/63/34/25/1099633425.db2.gz WCXQLQYGNOSAFM-UHFFFAOYSA-N 2 2 352.526 4.156 20 0 FIADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000437134768 1099633430 /nfs/dbraw/zinc/63/34/30/1099633430.db2.gz WCXQLQYGNOSAFM-UHFFFAOYSA-N 2 2 352.526 4.156 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCCc1ccccc1 ZINC000162456249 1099778795 /nfs/dbraw/zinc/77/87/95/1099778795.db2.gz SGQSGWPLVGDHCV-REWPJTCUSA-N 2 2 351.538 4.295 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCCc1ccccc1 ZINC000162456249 1099778801 /nfs/dbraw/zinc/77/88/01/1099778801.db2.gz SGQSGWPLVGDHCV-REWPJTCUSA-N 2 2 351.538 4.295 20 0 FIADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)cc2)c1C ZINC000428584971 1099814427 /nfs/dbraw/zinc/81/44/27/1099814427.db2.gz WUQXAYBZTHOETL-OAQYLSRUSA-N 2 2 366.509 4.225 20 0 FIADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)cc2)c1C ZINC000428584967 1099815358 /nfs/dbraw/zinc/81/53/58/1099815358.db2.gz WUQXAYBZTHOETL-NRFANRHFSA-N 2 2 366.509 4.225 20 0 FIADLP C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722824 1099943169 /nfs/dbraw/zinc/94/31/69/1099943169.db2.gz USSRHAMHFFVMLT-ICSRJNTNSA-N 2 2 350.510 4.004 20 0 FIADLP C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722824 1099943174 /nfs/dbraw/zinc/94/31/74/1099943174.db2.gz USSRHAMHFFVMLT-ICSRJNTNSA-N 2 2 350.510 4.004 20 0 FIADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000536730424 1100238684 /nfs/dbraw/zinc/23/86/84/1100238684.db2.gz GYUVSSUIBBCFLW-KDOFPFPSSA-N 2 2 351.332 4.100 20 0 FIADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000536730424 1100238692 /nfs/dbraw/zinc/23/86/92/1100238692.db2.gz GYUVSSUIBBCFLW-KDOFPFPSSA-N 2 2 351.332 4.100 20 0 FIADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000536730424 1100238701 /nfs/dbraw/zinc/23/87/01/1100238701.db2.gz GYUVSSUIBBCFLW-KDOFPFPSSA-N 2 2 351.332 4.100 20 0 FIADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000536730424 1100238709 /nfs/dbraw/zinc/23/87/09/1100238709.db2.gz GYUVSSUIBBCFLW-KDOFPFPSSA-N 2 2 351.332 4.100 20 0 FIADLP CC[C@@H](C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000425924213 1100266809 /nfs/dbraw/zinc/26/68/09/1100266809.db2.gz SXAKGTYOVSDQJS-LEWJYISDSA-N 2 2 357.929 4.483 20 0 FIADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000414931694 1100678460 /nfs/dbraw/zinc/67/84/60/1100678460.db2.gz BYSSRJHJDBIVOR-YGRLFVJLSA-N 2 2 356.322 4.205 20 0 FIADLP C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000518400867 1101156811 /nfs/dbraw/zinc/15/68/11/1101156811.db2.gz RKRZWHRKZOTFIL-OAHLLOKOSA-N 2 2 353.416 4.396 20 0 FIADLP COc1cc(Cl)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000508624302 1101310096 /nfs/dbraw/zinc/31/00/96/1101310096.db2.gz UTQQGSHDSAVWNV-ZDUSSCGKSA-N 2 2 368.308 4.190 20 0 FIADLP COc1cc(Cl)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000508624302 1101310108 /nfs/dbraw/zinc/31/01/08/1101310108.db2.gz UTQQGSHDSAVWNV-ZDUSSCGKSA-N 2 2 368.308 4.190 20 0 FIADLP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3nc(-c4ccccc4)c[nH]3)C2)c1 ZINC000194274683 1101316349 /nfs/dbraw/zinc/31/63/49/1101316349.db2.gz RPSRJDVBKHNWDY-QGZVFWFLSA-N 2 2 366.534 4.140 20 0 FIADLP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3nc(-c4ccccc4)c[nH]3)C2)c1 ZINC000194274683 1101316366 /nfs/dbraw/zinc/31/63/66/1101316366.db2.gz RPSRJDVBKHNWDY-QGZVFWFLSA-N 2 2 366.534 4.140 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001167964322 1101347962 /nfs/dbraw/zinc/34/79/62/1101347962.db2.gz OXLPUZDLYCQICJ-DWMSJXBZSA-N 3 2 367.581 4.035 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001167964322 1101347977 /nfs/dbraw/zinc/34/79/77/1101347977.db2.gz OXLPUZDLYCQICJ-DWMSJXBZSA-N 3 2 367.581 4.035 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001167964322 1101347983 /nfs/dbraw/zinc/34/79/83/1101347983.db2.gz OXLPUZDLYCQICJ-DWMSJXBZSA-N 3 2 367.581 4.035 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001167964322 1101347995 /nfs/dbraw/zinc/34/79/95/1101347995.db2.gz OXLPUZDLYCQICJ-DWMSJXBZSA-N 3 2 367.581 4.035 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1nc2ccc(Cl)cc2n1C ZINC000536998554 1101386675 /nfs/dbraw/zinc/38/66/75/1101386675.db2.gz ADAYLUSGVUSPLV-CQSZACIVSA-N 2 2 365.868 4.263 20 0 FIADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2Br)CC1 ZINC000537294580 1101615685 /nfs/dbraw/zinc/61/56/85/1101615685.db2.gz COWMQBSRGDBGSC-CQSZACIVSA-N 2 2 369.347 4.373 20 0 FIADLP c1cc(C[NH+]2CCCCC2)ccc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000518882228 1101690389 /nfs/dbraw/zinc/69/03/89/1101690389.db2.gz NCEALMNTTZJAKH-UHFFFAOYSA-N 2 2 365.525 4.065 20 0 FIADLP c1cc(C[NH+]2CCCCC2)ccc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000518882228 1101690393 /nfs/dbraw/zinc/69/03/93/1101690393.db2.gz NCEALMNTTZJAKH-UHFFFAOYSA-N 2 2 365.525 4.065 20 0 FIADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000760332155 1101921904 /nfs/dbraw/zinc/92/19/04/1101921904.db2.gz WWXYLHBAYBZBII-SJLPKXTDSA-N 2 2 369.336 4.214 20 0 FIADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1Cl ZINC000537485779 1102170080 /nfs/dbraw/zinc/17/00/80/1102170080.db2.gz GFDHVETUEPVOSJ-HNNXBMFYSA-N 2 2 358.917 4.439 20 0 FIADLP Brc1sccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388768398 1102306374 /nfs/dbraw/zinc/30/63/74/1102306374.db2.gz ZVWKCTBFMPGINK-HNNXBMFYSA-N 2 2 365.340 4.122 20 0 FIADLP Brc1sccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388768398 1102306383 /nfs/dbraw/zinc/30/63/83/1102306383.db2.gz ZVWKCTBFMPGINK-HNNXBMFYSA-N 2 2 365.340 4.122 20 0 FIADLP Brc1sccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167968841 1102339639 /nfs/dbraw/zinc/33/96/39/1102339639.db2.gz VUIUTUIMFAKKLN-GOOCMWNKSA-N 2 2 355.345 4.006 20 0 FIADLP Brc1sccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167968841 1102339645 /nfs/dbraw/zinc/33/96/45/1102339645.db2.gz VUIUTUIMFAKKLN-GOOCMWNKSA-N 2 2 355.345 4.006 20 0 FIADLP CC(C)OCc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000532461423 1102364494 /nfs/dbraw/zinc/36/44/94/1102364494.db2.gz WTQOCAUTRJFGPZ-WMZHIEFXSA-N 2 2 367.537 4.007 20 0 FIADLP CC(C)OCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000532461423 1102364508 /nfs/dbraw/zinc/36/45/08/1102364508.db2.gz WTQOCAUTRJFGPZ-WMZHIEFXSA-N 2 2 367.537 4.007 20 0 FIADLP CC1CCC([N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CC1 ZINC001168215693 1102497123 /nfs/dbraw/zinc/49/71/23/1102497123.db2.gz VEDQSAVPLQJREZ-LYBXBRPPSA-N 2 2 363.496 4.193 20 0 FIADLP CC1CCC([N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CC1 ZINC001168215693 1102497127 /nfs/dbraw/zinc/49/71/27/1102497127.db2.gz VEDQSAVPLQJREZ-LYBXBRPPSA-N 2 2 363.496 4.193 20 0 FIADLP CC1CCC([NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)CC1 ZINC001168215693 1102497134 /nfs/dbraw/zinc/49/71/34/1102497134.db2.gz VEDQSAVPLQJREZ-LYBXBRPPSA-N 2 2 363.496 4.193 20 0 FIADLP CC1CCC([NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CC1 ZINC001168215693 1102497142 /nfs/dbraw/zinc/49/71/42/1102497142.db2.gz VEDQSAVPLQJREZ-LYBXBRPPSA-N 2 2 363.496 4.193 20 0 FIADLP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001167974397 1102546811 /nfs/dbraw/zinc/54/68/11/1102546811.db2.gz ZEJBCMUKUROUKF-NOTZXAQLSA-N 3 2 359.602 4.026 20 0 FIADLP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001167974397 1102546818 /nfs/dbraw/zinc/54/68/18/1102546818.db2.gz ZEJBCMUKUROUKF-NOTZXAQLSA-N 3 2 359.602 4.026 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000550856791 1102558266 /nfs/dbraw/zinc/55/82/66/1102558266.db2.gz WYNZUMZLTDMZTC-OXQOHEQNSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000550856791 1102558274 /nfs/dbraw/zinc/55/82/74/1102558274.db2.gz WYNZUMZLTDMZTC-OXQOHEQNSA-N 2 2 351.519 4.297 20 0 FIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)CCc1c[nH+]cn1C ZINC000459346030 1102881032 /nfs/dbraw/zinc/88/10/32/1102881032.db2.gz TXWRWYWUEXELQG-MRXNPFEDSA-N 2 2 354.523 4.396 20 0 FIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459346030 1102881040 /nfs/dbraw/zinc/88/10/40/1102881040.db2.gz TXWRWYWUEXELQG-MRXNPFEDSA-N 2 2 354.523 4.396 20 0 FIADLP Cn1c[nH+]cc1CC[N@@H+]1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000459350654 1102890921 /nfs/dbraw/zinc/89/09/21/1102890921.db2.gz WAONPGRQOFXQRA-OAQYLSRUSA-N 2 2 351.881 4.416 20 0 FIADLP Cn1c[nH+]cc1CC[N@H+]1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000459350654 1102890932 /nfs/dbraw/zinc/89/09/32/1102890932.db2.gz WAONPGRQOFXQRA-OAQYLSRUSA-N 2 2 351.881 4.416 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)c(F)c1 ZINC000536624780 1102931416 /nfs/dbraw/zinc/93/14/16/1102931416.db2.gz JWMLYEUMDDVULY-OAHLLOKOSA-N 2 2 362.876 4.162 20 0 FIADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000476979070 1102992580 /nfs/dbraw/zinc/99/25/80/1102992580.db2.gz DHHBHFCTKVPYDX-SFHVURJKSA-N 2 2 368.525 4.213 20 0 FIADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000476979070 1102992584 /nfs/dbraw/zinc/99/25/84/1102992584.db2.gz DHHBHFCTKVPYDX-SFHVURJKSA-N 2 2 368.525 4.213 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000476986058 1103004007 /nfs/dbraw/zinc/00/40/07/1103004007.db2.gz QTARFTIXTFHBOA-MRXNPFEDSA-N 2 2 374.554 4.275 20 0 FIADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000476986058 1103004020 /nfs/dbraw/zinc/00/40/20/1103004020.db2.gz QTARFTIXTFHBOA-MRXNPFEDSA-N 2 2 374.554 4.275 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000551265726 1103023965 /nfs/dbraw/zinc/02/39/65/1103023965.db2.gz YTCOQDHPTBJQHU-UWJYYQICSA-N 2 2 365.546 4.339 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000551265726 1103023982 /nfs/dbraw/zinc/02/39/82/1103023982.db2.gz YTCOQDHPTBJQHU-UWJYYQICSA-N 2 2 365.546 4.339 20 0 FIADLP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cn2ccccc2n1 ZINC000551301501 1103056606 /nfs/dbraw/zinc/05/66/06/1103056606.db2.gz KMCHBWYKLKRZDE-KCESLBEFSA-N 2 2 362.521 4.142 20 0 FIADLP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cn2ccccc2n1 ZINC000551301501 1103056624 /nfs/dbraw/zinc/05/66/24/1103056624.db2.gz KMCHBWYKLKRZDE-KCESLBEFSA-N 2 2 362.521 4.142 20 0 FIADLP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1Cl ZINC000551818490 1103678003 /nfs/dbraw/zinc/67/80/03/1103678003.db2.gz UXZRDAIBBGSKFM-UZLBHIALSA-N 2 2 373.928 4.134 20 0 FIADLP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1Cl ZINC000551818490 1103678009 /nfs/dbraw/zinc/67/80/09/1103678009.db2.gz UXZRDAIBBGSKFM-UZLBHIALSA-N 2 2 373.928 4.134 20 0 FIADLP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC001168006320 1105106889 /nfs/dbraw/zinc/10/68/89/1105106889.db2.gz NCXPGAJQBRFFLZ-RMFSNUHRSA-N 2 2 368.521 4.235 20 0 FIADLP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC001168006320 1105106893 /nfs/dbraw/zinc/10/68/93/1105106893.db2.gz NCXPGAJQBRFFLZ-RMFSNUHRSA-N 2 2 368.521 4.235 20 0 FIADLP C[NH+](C)C1CC[NH+](Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000508000484 1105292139 /nfs/dbraw/zinc/29/21/39/1105292139.db2.gz RNIAFXHNGQYQFF-UHFFFAOYSA-N 2 2 358.913 4.445 20 0 FIADLP Fc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccc(Cl)cc2)cc1 ZINC000427878479 1105299991 /nfs/dbraw/zinc/29/99/91/1105299991.db2.gz ARUDOIGOETYOBL-ICSRJNTNSA-N 2 2 355.844 4.370 20 0 FIADLP Cc1ccccc1COc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427868310 1105303984 /nfs/dbraw/zinc/30/39/84/1105303984.db2.gz DIAFPLMZBZZBFC-GHTZIAJQSA-N 2 2 361.489 4.436 20 0 FIADLP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427871210 1105305844 /nfs/dbraw/zinc/30/58/44/1105305844.db2.gz IDYGOSPRPQWOPV-QUCCMNQESA-N 2 2 353.510 4.154 20 0 FIADLP C/C(=C/c1ccccc1)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475352147 1106745118 /nfs/dbraw/zinc/74/51/18/1106745118.db2.gz ITMKAMCEGYBMRG-PTNGSMBKSA-N 2 2 352.444 4.485 20 0 FIADLP C[C@@H]1CC([N@@H+]2CCC[C@@H]2c2cnccn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065258 1106902739 /nfs/dbraw/zinc/90/27/39/1106902739.db2.gz VFHJIHIGCNZTAS-JBYIUTFZSA-N 2 2 350.510 4.055 20 0 FIADLP C[C@@H]1CC([N@H+]2CCC[C@@H]2c2cnccn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065258 1106902749 /nfs/dbraw/zinc/90/27/49/1106902749.db2.gz VFHJIHIGCNZTAS-JBYIUTFZSA-N 2 2 350.510 4.055 20 0 FIADLP CCCn1c2ccccc2nc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192926261 1106904261 /nfs/dbraw/zinc/90/42/61/1106904261.db2.gz VJCRDICWKIWFTD-HXUWFJFHSA-N 2 2 362.521 4.058 20 0 FIADLP CCCn1c2ccccc2nc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192926261 1106904267 /nfs/dbraw/zinc/90/42/67/1106904267.db2.gz VJCRDICWKIWFTD-HXUWFJFHSA-N 2 2 362.521 4.058 20 0 FIADLP CCCn1c2ccccc2nc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192926250 1106904425 /nfs/dbraw/zinc/90/44/25/1106904425.db2.gz VJCRDICWKIWFTD-FQEVSTJZSA-N 2 2 362.521 4.058 20 0 FIADLP CCCn1c2ccccc2nc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192926250 1106904427 /nfs/dbraw/zinc/90/44/27/1106904427.db2.gz VJCRDICWKIWFTD-FQEVSTJZSA-N 2 2 362.521 4.058 20 0 FIADLP Fc1ccccc1-c1nc2c(s1)[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530218972 1106918560 /nfs/dbraw/zinc/91/85/60/1106918560.db2.gz KJAMAUVCCOGANB-RDJZCZTQSA-N 2 2 357.498 4.201 20 0 FIADLP Brc1cccc2c(N3CCC(C[NH+]4CCCC4)CC3)cc[nH+]c12 ZINC000301346933 1106999323 /nfs/dbraw/zinc/99/93/23/1106999323.db2.gz HONPNFRKONEOIH-UHFFFAOYSA-N 2 2 374.326 4.310 20 0 FIADLP COc1ccc([C@H](C[NH+]2CCCC2)Nc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC000302149727 1107318320 /nfs/dbraw/zinc/31/83/20/1107318320.db2.gz SUMMBDZCCCFUTK-IBGZPJMESA-N 2 2 354.498 4.166 20 0 FIADLP Cc1[nH+]c2ccccc2c(N2CC[NH+]([C@@H](C)c3nccs3)CC2)c1C ZINC000302180782 1107330466 /nfs/dbraw/zinc/33/04/66/1107330466.db2.gz DYQPUHGUINNDHX-INIZCTEOSA-N 2 2 352.507 4.191 20 0 FIADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000530949916 1107428912 /nfs/dbraw/zinc/42/89/12/1107428912.db2.gz ZSOXDVJAIPXBLH-NRFANRHFSA-N 2 2 374.488 4.278 20 0 FIADLP C[C@H]1CC([N@H+](C)Cc2cccc3c2OCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168068367 1107567796 /nfs/dbraw/zinc/56/77/96/1107567796.db2.gz XZJCLVFZNSURTR-ROUUACIJSA-N 2 2 366.505 4.289 20 0 FIADLP C[C@H]1CC([N@@H+](C)Cc2cccc3c2OCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168068367 1107567805 /nfs/dbraw/zinc/56/78/05/1107567805.db2.gz XZJCLVFZNSURTR-ROUUACIJSA-N 2 2 366.505 4.289 20 0 FIADLP Clc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1Br ZINC000475559740 1107731333 /nfs/dbraw/zinc/73/13/33/1107731333.db2.gz PSHJMPLDJLZDPH-UHFFFAOYSA-N 2 2 357.723 4.209 20 0 FIADLP C[C@@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444545615 1107981607 /nfs/dbraw/zinc/98/16/07/1107981607.db2.gz LNDZJDTZLYWYFY-ZACQAIPSSA-N 2 2 366.509 4.086 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531686607 1108072888 /nfs/dbraw/zinc/07/28/88/1108072888.db2.gz SJAGMFZQLZTWLY-WMZHIEFXSA-N 2 2 365.565 4.422 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531686607 1108072905 /nfs/dbraw/zinc/07/29/05/1108072905.db2.gz SJAGMFZQLZTWLY-WMZHIEFXSA-N 2 2 365.565 4.422 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1)CCC2 ZINC000531731986 1108102254 /nfs/dbraw/zinc/10/22/54/1108102254.db2.gz LLKXKBQZJOJGGJ-VQIMIIECSA-N 2 2 368.525 4.199 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1)CCC2 ZINC000531731985 1108102497 /nfs/dbraw/zinc/10/24/97/1108102497.db2.gz LLKXKBQZJOJGGJ-QFBILLFUSA-N 2 2 368.525 4.199 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C)CCC2 ZINC000531733119 1108103054 /nfs/dbraw/zinc/10/30/54/1108103054.db2.gz LABYILYDZXOXJC-ZBFHGGJFSA-N 2 2 374.916 4.038 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OC(F)F)CC[N@@H+]1C ZINC000531735418 1108105410 /nfs/dbraw/zinc/10/54/10/1108105410.db2.gz BXWZAHFYANIXKP-JOYOIKCWSA-N 2 2 353.240 4.167 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OC(F)F)CC[N@H+]1C ZINC000531735418 1108105419 /nfs/dbraw/zinc/10/54/19/1108105419.db2.gz BXWZAHFYANIXKP-JOYOIKCWSA-N 2 2 353.240 4.167 20 0 FIADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2(C(=O)Nc3ccccc3)CC2)CC1 ZINC000453195181 1108264406 /nfs/dbraw/zinc/26/44/06/1108264406.db2.gz IBJLXHGCZDLPCY-UHFFFAOYSA-N 2 2 371.569 4.427 20 0 FIADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000453237185 1108312826 /nfs/dbraw/zinc/31/28/26/1108312826.db2.gz OTOTZYFHXADFOB-SFHVURJKSA-N 2 2 371.843 4.451 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC000453268929 1108345684 /nfs/dbraw/zinc/34/56/84/1108345684.db2.gz OVCHOCGCGVOMRR-NMTNEYKDSA-N 2 2 363.549 4.466 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC000453268929 1108345704 /nfs/dbraw/zinc/34/57/04/1108345704.db2.gz OVCHOCGCGVOMRR-NMTNEYKDSA-N 2 2 363.549 4.466 20 0 FIADLP Cc1c([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cnn1-c1cc(C)ccc1C ZINC000531939335 1108416432 /nfs/dbraw/zinc/41/64/32/1108416432.db2.gz WIHCKRXUJOPMQG-SFHVURJKSA-N 2 2 351.498 4.125 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000453327342 1108419969 /nfs/dbraw/zinc/41/99/69/1108419969.db2.gz OSUORCBUPXVPSP-SFHVURJKSA-N 2 2 365.521 4.269 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000453327340 1108420695 /nfs/dbraw/zinc/42/06/95/1108420695.db2.gz OSUORCBUPXVPSP-GOSISDBHSA-N 2 2 365.521 4.269 20 0 FIADLP Cc1ccc(-n2cc(C[NH2+]CCCCn3cc[nH+]c3)c(C(C)(C)C)n2)cc1 ZINC000532094197 1108653339 /nfs/dbraw/zinc/65/33/39/1108653339.db2.gz GEWILZJPSMCZBP-UHFFFAOYSA-N 2 2 365.525 4.245 20 0 FIADLP FC(F)(F)CCC(CCC(F)(F)F)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000925173847 1109005024 /nfs/dbraw/zinc/00/50/24/1109005024.db2.gz ZZHFYZPXTVTSOV-NSHDSACASA-N 2 2 357.342 4.404 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000524457865 1109021006 /nfs/dbraw/zinc/02/10/06/1109021006.db2.gz HQPHRQXXBJTEAP-JOCHJYFZSA-N 2 2 360.505 4.139 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000524457865 1109021010 /nfs/dbraw/zinc/02/10/10/1109021010.db2.gz HQPHRQXXBJTEAP-JOCHJYFZSA-N 2 2 360.505 4.139 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Br)cc1F ZINC000446835044 1109355942 /nfs/dbraw/zinc/35/59/42/1109355942.db2.gz JOZNSKITFQSPOH-GFCCVEGCSA-N 2 2 355.295 4.256 20 0 FIADLP COc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)ccc1SC ZINC000429714493 1109446669 /nfs/dbraw/zinc/44/66/69/1109446669.db2.gz GROKOMPBLSAWFV-UHFFFAOYSA-N 2 2 358.507 4.164 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(OCc3ccccc3)c1)CCC2 ZINC000525695709 1109481707 /nfs/dbraw/zinc/48/17/07/1109481707.db2.gz JLTFSKZCABERLW-OAQYLSRUSA-N 2 2 361.489 4.438 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccccc1OCc1ccccc1)CCC2 ZINC000525695209 1109485915 /nfs/dbraw/zinc/48/59/15/1109485915.db2.gz FGLZPTGLHFPAFU-NRFANRHFSA-N 2 2 361.489 4.438 20 0 FIADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CO2 ZINC000447596564 1109590807 /nfs/dbraw/zinc/59/08/07/1109590807.db2.gz CSEOOJHMAMUUJE-JTJHWIPRSA-N 2 2 352.453 4.044 20 0 FIADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CO2 ZINC000447596564 1109590810 /nfs/dbraw/zinc/59/08/10/1109590810.db2.gz CSEOOJHMAMUUJE-JTJHWIPRSA-N 2 2 352.453 4.044 20 0 FIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000447939286 1109677135 /nfs/dbraw/zinc/67/71/35/1109677135.db2.gz JQRHGOKQDZQYPD-IBGZPJMESA-N 2 2 360.505 4.188 20 0 FIADLP FC(F)Oc1ccc2ccccc2c1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000470016506 1109784222 /nfs/dbraw/zinc/78/42/22/1109784222.db2.gz UVWDFAMKXKRYHA-UHFFFAOYSA-N 2 2 360.448 4.405 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)cn1 ZINC000527854314 1109839161 /nfs/dbraw/zinc/83/91/61/1109839161.db2.gz WUQRVTLFSYCURR-SFHVURJKSA-N 2 2 356.832 4.145 20 0 FIADLP c1c[nH+]c(C2CC[NH+](Cc3cnc(CCc4ccccc4)s3)CC2)[nH]1 ZINC000449021578 1109963469 /nfs/dbraw/zinc/96/34/69/1109963469.db2.gz TYKCAROMBYWNKA-UHFFFAOYSA-N 2 2 352.507 4.031 20 0 FIADLP Clc1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)s1 ZINC000449060118 1109964414 /nfs/dbraw/zinc/96/44/14/1109964414.db2.gz DUNLLXVLZHDNLI-UHFFFAOYSA-N 2 2 371.333 4.177 20 0 FIADLP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000449070796 1109972444 /nfs/dbraw/zinc/97/24/44/1109972444.db2.gz LKRNDJRGAHGQOB-AVRDEDQJSA-N 2 2 371.594 4.036 20 0 FIADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](c2ccsc2)N(C)C)CC1 ZINC000449070796 1109972445 /nfs/dbraw/zinc/97/24/45/1109972445.db2.gz LKRNDJRGAHGQOB-AVRDEDQJSA-N 2 2 371.594 4.036 20 0 FIADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)CC2 ZINC000449078412 1109974049 /nfs/dbraw/zinc/97/40/49/1109974049.db2.gz UZILXCRLTWBRPV-KRWDZBQOSA-N 2 2 357.379 4.126 20 0 FIADLP C[NH+](C)Cc1cc(C[NH2+]Cc2cccc(F)c2Br)ccc1F ZINC000449158704 1109989660 /nfs/dbraw/zinc/98/96/60/1109989660.db2.gz ZTUBPEJAXVNTCU-UHFFFAOYSA-N 2 2 369.253 4.079 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1c(C)noc1C ZINC000449217388 1109999344 /nfs/dbraw/zinc/99/93/44/1109999344.db2.gz YVOSTITVVDSQAN-KKSFZXQISA-N 2 2 355.526 4.428 20 0 FIADLP COc1ccc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)c(C)c1OC ZINC000449348072 1110037111 /nfs/dbraw/zinc/03/71/11/1110037111.db2.gz AZOYHRYBGGEYIM-UHFFFAOYSA-N 2 2 371.868 4.141 20 0 FIADLP Clc1ccc(OCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000449400226 1110057444 /nfs/dbraw/zinc/05/74/44/1110057444.db2.gz ASMGGBIUWLUBLZ-UHFFFAOYSA-N 2 2 366.292 4.026 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H](C)[C@H]3C)CC2)cc1 ZINC000449524529 1110098712 /nfs/dbraw/zinc/09/87/12/1110098712.db2.gz OMAYOOWTXMCTJV-DRSNIGMVSA-N 2 2 357.542 4.024 20 0 FIADLP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000449524499 1110098803 /nfs/dbraw/zinc/09/88/03/1110098803.db2.gz OHGDQPFDLHTPFT-XMSQKQJNSA-N 2 2 357.542 4.168 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H](C4CC4)C3)CC2)cc1 ZINC000449523002 1110098923 /nfs/dbraw/zinc/09/89/23/1110098923.db2.gz KJMVREKNQBQNBY-NZQKXSOJSA-N 2 2 369.553 4.168 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H]3C(C)C)CC2)cc1 ZINC000449526615 1110099217 /nfs/dbraw/zinc/09/92/17/1110099217.db2.gz WTTDBYOGPOQOJE-YADHBBJMSA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)C3CCCCC3)CC2)cc1 ZINC000449526832 1110100171 /nfs/dbraw/zinc/10/01/71/1110100171.db2.gz XUAVSUXRCPZIIO-KRWDZBQOSA-N 2 2 357.542 4.168 20 0 FIADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cc2c(s1)CCC2 ZINC000538589235 1111210978 /nfs/dbraw/zinc/21/09/78/1111210978.db2.gz GRDSPDTZHKUJEO-HNNXBMFYSA-N 2 2 370.566 4.335 20 0 FIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000538723930 1111274897 /nfs/dbraw/zinc/27/48/97/1111274897.db2.gz HGCIVKYKTQGGIM-IBGZPJMESA-N 2 2 354.542 4.159 20 0 FIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000538723930 1111274900 /nfs/dbraw/zinc/27/49/00/1111274900.db2.gz HGCIVKYKTQGGIM-IBGZPJMESA-N 2 2 354.542 4.159 20 0 FIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000538723930 1111274903 /nfs/dbraw/zinc/27/49/03/1111274903.db2.gz HGCIVKYKTQGGIM-IBGZPJMESA-N 2 2 354.542 4.159 20 0 FIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000538723930 1111274908 /nfs/dbraw/zinc/27/49/08/1111274908.db2.gz HGCIVKYKTQGGIM-IBGZPJMESA-N 2 2 354.542 4.159 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000539054777 1111402087 /nfs/dbraw/zinc/40/20/87/1111402087.db2.gz QICAQCLLICDCJM-MCFFVMPBSA-N 2 2 353.485 4.269 20 0 FIADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000539219318 1111481151 /nfs/dbraw/zinc/48/11/51/1111481151.db2.gz GSFNOQGOZWVLFS-GOSISDBHSA-N 2 2 362.477 4.219 20 0 FIADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000539219318 1111481155 /nfs/dbraw/zinc/48/11/55/1111481155.db2.gz GSFNOQGOZWVLFS-GOSISDBHSA-N 2 2 362.477 4.219 20 0 FIADLP Fc1cccnc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552056510 1111559878 /nfs/dbraw/zinc/55/98/78/1111559878.db2.gz GCRFVSUNHJBTGW-SFHLNBCPSA-N 2 2 353.485 4.001 20 0 FIADLP Fc1cccnc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552056510 1111559881 /nfs/dbraw/zinc/55/98/81/1111559881.db2.gz GCRFVSUNHJBTGW-SFHLNBCPSA-N 2 2 353.485 4.001 20 0 FIADLP CC(C)CC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccoc1 ZINC000552067789 1111565032 /nfs/dbraw/zinc/56/50/32/1111565032.db2.gz YDDNMKNXOLACLG-PMACEKPBSA-N 2 2 356.514 4.404 20 0 FIADLP Cc1cccc(NC2CC[NH+](Cc3cccc(Br)c3)CC2)[nH+]1 ZINC000552076762 1111575284 /nfs/dbraw/zinc/57/52/84/1111575284.db2.gz DJUNOMNFYXEYMR-UHFFFAOYSA-N 2 2 360.299 4.229 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)Cc1ccc(Br)cc1)CCC2 ZINC000479268127 1111982700 /nfs/dbraw/zinc/98/27/00/1111982700.db2.gz YSNNJWPDSLFYPP-BBRMVZONSA-N 2 2 362.315 4.052 20 0 FIADLP CC(C)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(F)ccc1F ZINC000479344571 1111995087 /nfs/dbraw/zinc/99/50/87/1111995087.db2.gz LHHKOVXPKSZEAZ-QFIPXVFZSA-N 2 2 374.475 4.284 20 0 FIADLP Fc1cc(Br)ccc1[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000479343966 1112001371 /nfs/dbraw/zinc/00/13/71/1112001371.db2.gz BSUJZUHGRMDETF-GOSISDBHSA-N 2 2 367.306 4.256 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CCCc4ccccc43)C2)CC1 ZINC000479489735 1112051407 /nfs/dbraw/zinc/05/14/07/1112051407.db2.gz KDRUGQDCQWCTTG-TVPLGVNVSA-N 2 2 352.444 4.459 20 0 FIADLP Cc1cc(C)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(OCc2ccccc2)n1 ZINC000554266532 1112274634 /nfs/dbraw/zinc/27/46/34/1112274634.db2.gz ZZILCIYHCLVABI-NRFANRHFSA-N 2 2 367.537 4.194 20 0 FIADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(OCc2ccccc2)n1 ZINC000554266532 1112274637 /nfs/dbraw/zinc/27/46/37/1112274637.db2.gz ZZILCIYHCLVABI-NRFANRHFSA-N 2 2 367.537 4.194 20 0 FIADLP COc1cc(F)c([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1OC ZINC000480167651 1112305520 /nfs/dbraw/zinc/30/55/20/1112305520.db2.gz JPKJGBPYGQPLAU-INIZCTEOSA-N 2 2 360.473 4.016 20 0 FIADLP COc1cc(F)c([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1OC ZINC000480167651 1112305524 /nfs/dbraw/zinc/30/55/24/1112305524.db2.gz JPKJGBPYGQPLAU-INIZCTEOSA-N 2 2 360.473 4.016 20 0 FIADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000480165072 1112311759 /nfs/dbraw/zinc/31/17/59/1112311759.db2.gz HSIFZSSWGOWCPU-HXUWFJFHSA-N 2 2 362.521 4.104 20 0 FIADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000480165072 1112311765 /nfs/dbraw/zinc/31/17/65/1112311765.db2.gz HSIFZSSWGOWCPU-HXUWFJFHSA-N 2 2 362.521 4.104 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000667667200 1112408073 /nfs/dbraw/zinc/40/80/73/1112408073.db2.gz HOQHDMMMTODGAU-IUODEOHRSA-N 2 2 351.288 4.110 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc3cc(Br)ccc3o2)CC[N@H+]1C ZINC000667667200 1112408075 /nfs/dbraw/zinc/40/80/75/1112408075.db2.gz HOQHDMMMTODGAU-IUODEOHRSA-N 2 2 351.288 4.110 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3cc(Br)ccc3o2)CC[NH+]1C ZINC000667667200 1112408078 /nfs/dbraw/zinc/40/80/78/1112408078.db2.gz HOQHDMMMTODGAU-IUODEOHRSA-N 2 2 351.288 4.110 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3cc(Br)ccc3o2)CC[NH+]1C ZINC000667667200 1112408081 /nfs/dbraw/zinc/40/80/81/1112408081.db2.gz HOQHDMMMTODGAU-IUODEOHRSA-N 2 2 351.288 4.110 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccsc3Cl)cc2)C[C@H](C)O1 ZINC000480644117 1112519367 /nfs/dbraw/zinc/51/93/67/1112519367.db2.gz IJHCNHUCZRJTKR-GASCZTMLSA-N 2 2 364.942 4.301 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccsc3Cl)cc2)C[C@H](C)O1 ZINC000480644117 1112519376 /nfs/dbraw/zinc/51/93/76/1112519376.db2.gz IJHCNHUCZRJTKR-GASCZTMLSA-N 2 2 364.942 4.301 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480661330 1112526488 /nfs/dbraw/zinc/52/64/88/1112526488.db2.gz IIUGZKOHNQWJIL-VGSWGCGISA-N 2 2 373.491 4.183 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480661330 1112526495 /nfs/dbraw/zinc/52/64/95/1112526495.db2.gz IIUGZKOHNQWJIL-VGSWGCGISA-N 2 2 373.491 4.183 20 0 FIADLP CC(C)N(C)c1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000554879211 1112549910 /nfs/dbraw/zinc/54/99/10/1112549910.db2.gz NHZNOVMMSRBZMO-UHFFFAOYSA-N 2 2 366.553 4.023 20 0 FIADLP CC(C)N(C)c1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000554879211 1112549913 /nfs/dbraw/zinc/54/99/13/1112549913.db2.gz NHZNOVMMSRBZMO-UHFFFAOYSA-N 2 2 366.553 4.023 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(F)c1 ZINC000480754989 1112579143 /nfs/dbraw/zinc/57/91/43/1112579143.db2.gz FXPYURSTRMRUBR-KRWDZBQOSA-N 2 2 356.485 4.192 20 0 FIADLP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)CCC3)cc1 ZINC000480747741 1112584799 /nfs/dbraw/zinc/58/47/99/1112584799.db2.gz FMDJVIFRNWMRDY-DOTOQJQBSA-N 2 2 352.507 4.371 20 0 FIADLP CCc1ccc([C@@H](CC)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000481323668 1112900004 /nfs/dbraw/zinc/90/00/04/1112900004.db2.gz PBNJUQVJOSDVJV-HSZRJFAPSA-N 2 2 352.522 4.322 20 0 FIADLP Cc1nocc1C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000555538055 1112916533 /nfs/dbraw/zinc/91/65/33/1112916533.db2.gz PPHSOBYWOYKOFO-UHFFFAOYSA-N 2 2 358.445 4.185 20 0 FIADLP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)nc(-c2ccc(Cl)cc2)n1 ZINC000555598537 1112942054 /nfs/dbraw/zinc/94/20/54/1112942054.db2.gz XEBJDZUTUMDQRF-OAQYLSRUSA-N 2 2 370.928 4.023 20 0 FIADLP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)nc(-c2ccc(Cl)cc2)n1 ZINC000555598537 1112942057 /nfs/dbraw/zinc/94/20/57/1112942057.db2.gz XEBJDZUTUMDQRF-OAQYLSRUSA-N 2 2 370.928 4.023 20 0 FIADLP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)nc(-c2ccc(Cl)cc2)n1 ZINC000555598537 1112942060 /nfs/dbraw/zinc/94/20/60/1112942060.db2.gz XEBJDZUTUMDQRF-OAQYLSRUSA-N 2 2 370.928 4.023 20 0 FIADLP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)nc(-c2ccc(Cl)cc2)n1 ZINC000555598537 1112942063 /nfs/dbraw/zinc/94/20/63/1112942063.db2.gz XEBJDZUTUMDQRF-OAQYLSRUSA-N 2 2 370.928 4.023 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000194359214 1113274126 /nfs/dbraw/zinc/27/41/26/1113274126.db2.gz YGEWZLGAHOQVGD-MRXNPFEDSA-N 2 2 357.461 4.422 20 0 FIADLP Fc1ccccc1[C@H](F)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668139446 1113379189 /nfs/dbraw/zinc/37/91/89/1113379189.db2.gz ACPSNFXOIBTFKC-OAQYLSRUSA-N 2 2 368.431 4.329 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c(Cl)s2)[C@H](C)C1 ZINC000483256775 1113474551 /nfs/dbraw/zinc/47/45/51/1113474551.db2.gz OSWLCMYPNNDBTJ-ZWNOBZJWSA-N 2 2 365.768 4.326 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c(Cl)s2)[C@H](C)C1 ZINC000483256775 1113474553 /nfs/dbraw/zinc/47/45/53/1113474553.db2.gz OSWLCMYPNNDBTJ-ZWNOBZJWSA-N 2 2 365.768 4.326 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)c(Cl)s2)[C@H](C)C1 ZINC000483256775 1113474556 /nfs/dbraw/zinc/47/45/56/1113474556.db2.gz OSWLCMYPNNDBTJ-ZWNOBZJWSA-N 2 2 365.768 4.326 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)c(Cl)s2)[C@H](C)C1 ZINC000483256775 1113474557 /nfs/dbraw/zinc/47/45/57/1113474557.db2.gz OSWLCMYPNNDBTJ-ZWNOBZJWSA-N 2 2 365.768 4.326 20 0 FIADLP Fc1cccc(-c2ccc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)o2)c1F ZINC000483269180 1113477111 /nfs/dbraw/zinc/47/71/11/1113477111.db2.gz QSVVBPRVPULAIU-INIZCTEOSA-N 2 2 356.372 4.273 20 0 FIADLP CC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1nc(C)cs1 ZINC000150996041 1114261178 /nfs/dbraw/zinc/26/11/78/1114261178.db2.gz WHSSKPOMECCSSX-IBGZPJMESA-N 2 2 358.555 4.227 20 0 FIADLP CC(C)[C@@H](CSc1ccccc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000491012217 1114365040 /nfs/dbraw/zinc/36/50/40/1114365040.db2.gz XKHQARYKCWAQNF-HXUWFJFHSA-N 2 2 362.583 4.038 20 0 FIADLP C[N@@H+](Cc1ccccc1OC1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000571806199 1114539825 /nfs/dbraw/zinc/53/98/25/1114539825.db2.gz AFHRTIARXSWSBX-HXUWFJFHSA-N 2 2 350.506 4.182 20 0 FIADLP C[N@H+](Cc1ccccc1OC1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000571806199 1114539828 /nfs/dbraw/zinc/53/98/28/1114539828.db2.gz AFHRTIARXSWSBX-HXUWFJFHSA-N 2 2 350.506 4.182 20 0 FIADLP C[NH+](Cc1ccccc1OC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571806199 1114539832 /nfs/dbraw/zinc/53/98/32/1114539832.db2.gz AFHRTIARXSWSBX-HXUWFJFHSA-N 2 2 350.506 4.182 20 0 FIADLP C[NH+](Cc1ccccc1OC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571806199 1114539836 /nfs/dbraw/zinc/53/98/36/1114539836.db2.gz AFHRTIARXSWSBX-HXUWFJFHSA-N 2 2 350.506 4.182 20 0 FIADLP c1cn(CCCC[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)c[nH+]1 ZINC000590611688 1114953066 /nfs/dbraw/zinc/95/30/66/1114953066.db2.gz QTGAKYTWTOYGHJ-UHFFFAOYSA-N 2 2 358.489 4.456 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000573102543 1115050104 /nfs/dbraw/zinc/05/01/04/1115050104.db2.gz ORYOCYYYMUSDEO-IEBWSBKVSA-N 2 2 350.462 4.367 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000573102543 1115050106 /nfs/dbraw/zinc/05/01/06/1115050106.db2.gz ORYOCYYYMUSDEO-IEBWSBKVSA-N 2 2 350.462 4.367 20 0 FIADLP COc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(C)s2)cc1C[NH+]1CCCCC1 ZINC000760881108 1115120762 /nfs/dbraw/zinc/12/07/62/1115120762.db2.gz OPZAXUQUFQHKDH-GJZGRUSLSA-N 2 2 374.554 4.253 20 0 FIADLP Cc1cc(F)ccc1CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000166892945 1115128049 /nfs/dbraw/zinc/12/80/49/1115128049.db2.gz JEXPVFFXBHIKGS-UHFFFAOYSA-N 2 2 355.501 4.001 20 0 FIADLP C[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000760908418 1115170389 /nfs/dbraw/zinc/17/03/89/1115170389.db2.gz OGTPULJXWUVZQX-RHKCVOJBSA-N 2 2 361.489 4.353 20 0 FIADLP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000595022180 1115504395 /nfs/dbraw/zinc/50/43/95/1115504395.db2.gz KFHBQQRGRXOYTG-ICSRJNTNSA-N 2 2 371.525 4.199 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000574996875 1115528845 /nfs/dbraw/zinc/52/88/45/1115528845.db2.gz SVNBSMPZBBLPPH-RLLQIKCJSA-N 2 2 361.489 4.343 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000574996875 1115528849 /nfs/dbraw/zinc/52/88/49/1115528849.db2.gz SVNBSMPZBBLPPH-RLLQIKCJSA-N 2 2 361.489 4.343 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000574996875 1115528850 /nfs/dbraw/zinc/52/88/50/1115528850.db2.gz SVNBSMPZBBLPPH-RLLQIKCJSA-N 2 2 361.489 4.343 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000574996875 1115528854 /nfs/dbraw/zinc/52/88/54/1115528854.db2.gz SVNBSMPZBBLPPH-RLLQIKCJSA-N 2 2 361.489 4.343 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000534349817 1116187708 /nfs/dbraw/zinc/18/77/08/1116187708.db2.gz NDYZOKANENIHCO-IFMALSPDSA-N 2 2 366.553 4.018 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000534349817 1116187710 /nfs/dbraw/zinc/18/77/10/1116187710.db2.gz NDYZOKANENIHCO-IFMALSPDSA-N 2 2 366.553 4.018 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000534349817 1116187711 /nfs/dbraw/zinc/18/77/11/1116187711.db2.gz NDYZOKANENIHCO-IFMALSPDSA-N 2 2 366.553 4.018 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000534349817 1116187713 /nfs/dbraw/zinc/18/77/13/1116187713.db2.gz NDYZOKANENIHCO-IFMALSPDSA-N 2 2 366.553 4.018 20 0 FIADLP C[N@@H+]1CC[C@H](CNc2cc[nH+]cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534974084 1116257274 /nfs/dbraw/zinc/25/72/74/1116257274.db2.gz LMMFGHPLLQZICC-PXAZEXFGSA-N 2 2 354.256 4.054 20 0 FIADLP C[N@H+]1CC[C@H](CNc2cc[nH+]cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534974084 1116257276 /nfs/dbraw/zinc/25/72/76/1116257276.db2.gz LMMFGHPLLQZICC-PXAZEXFGSA-N 2 2 354.256 4.054 20 0 FIADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1C ZINC000535575344 1116329165 /nfs/dbraw/zinc/32/91/65/1116329165.db2.gz HNYXPEDRAKMQTC-UHFFFAOYSA-N 2 2 351.494 4.286 20 0 FIADLP CC[N@H+](C[C@H](C)c1ccc(OC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539406242 1116332122 /nfs/dbraw/zinc/33/21/22/1116332122.db2.gz HJJOFELOPTZWBA-IBGZPJMESA-N 2 2 367.537 4.432 20 0 FIADLP CC[N@@H+](C[C@H](C)c1ccc(OC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539406242 1116332125 /nfs/dbraw/zinc/33/21/25/1116332125.db2.gz HJJOFELOPTZWBA-IBGZPJMESA-N 2 2 367.537 4.432 20 0 FIADLP COc1ccc([C@@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)C(C)C)cc1 ZINC000539658707 1116360960 /nfs/dbraw/zinc/36/09/60/1116360960.db2.gz FVEKJZFBASRVPM-KNQAVFIVSA-N 2 2 368.525 4.040 20 0 FIADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(F)cc1 ZINC000539690216 1116365908 /nfs/dbraw/zinc/36/59/08/1116365908.db2.gz UVRCURHTLZUISN-FQEVSTJZSA-N 2 2 356.489 4.314 20 0 FIADLP Cc1nc2ccccn2c1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000539831739 1116388553 /nfs/dbraw/zinc/38/85/53/1116388553.db2.gz DPDKPTLAXZWULO-RXVVDRJESA-N 2 2 362.521 4.128 20 0 FIADLP Cc1nc2ccccn2c1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000539831739 1116388555 /nfs/dbraw/zinc/38/85/55/1116388555.db2.gz DPDKPTLAXZWULO-RXVVDRJESA-N 2 2 362.521 4.128 20 0 FIADLP Cc1nc2ccccn2c1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000539831739 1116388557 /nfs/dbraw/zinc/38/85/57/1116388557.db2.gz DPDKPTLAXZWULO-RXVVDRJESA-N 2 2 362.521 4.128 20 0 FIADLP Cc1nc2ccccn2c1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000539831739 1116388559 /nfs/dbraw/zinc/38/85/59/1116388559.db2.gz DPDKPTLAXZWULO-RXVVDRJESA-N 2 2 362.521 4.128 20 0 FIADLP CCc1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000539898384 1117740189 /nfs/dbraw/zinc/74/01/89/1117740189.db2.gz WCSUSBYJVWNWJY-QUCCMNQESA-N 2 2 355.551 4.192 20 0 FIADLP CCc1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000539898384 1117740190 /nfs/dbraw/zinc/74/01/90/1117740190.db2.gz WCSUSBYJVWNWJY-QUCCMNQESA-N 2 2 355.551 4.192 20 0 FIADLP CCc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000539898384 1117740194 /nfs/dbraw/zinc/74/01/94/1117740194.db2.gz WCSUSBYJVWNWJY-QUCCMNQESA-N 2 2 355.551 4.192 20 0 FIADLP CCc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000539898384 1117740196 /nfs/dbraw/zinc/74/01/96/1117740196.db2.gz WCSUSBYJVWNWJY-QUCCMNQESA-N 2 2 355.551 4.192 20 0 FIADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc2)c1C ZINC000462761770 1117752784 /nfs/dbraw/zinc/75/27/84/1117752784.db2.gz LBWFELBVEFISFM-QFIPXVFZSA-N 2 2 374.488 4.092 20 0 FIADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2)c1C ZINC000462761770 1117752788 /nfs/dbraw/zinc/75/27/88/1117752788.db2.gz LBWFELBVEFISFM-QFIPXVFZSA-N 2 2 374.488 4.092 20 0 FIADLP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1)c1ccccc1 ZINC000462764553 1117754477 /nfs/dbraw/zinc/75/44/77/1117754477.db2.gz GKIHJJPMRRHRCA-OAQYLSRUSA-N 2 2 362.477 4.121 20 0 FIADLP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1)c1ccccc1 ZINC000462764553 1117754483 /nfs/dbraw/zinc/75/44/83/1117754483.db2.gz GKIHJJPMRRHRCA-OAQYLSRUSA-N 2 2 362.477 4.121 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540141428 1117894247 /nfs/dbraw/zinc/89/42/47/1117894247.db2.gz ASDFQUYYVJDCJF-MRXNPFEDSA-N 2 2 350.466 4.295 20 0 FIADLP Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000540152836 1117906801 /nfs/dbraw/zinc/90/68/01/1117906801.db2.gz SBBQLIGOFFLBQA-UNMCSNQZSA-N 2 2 365.521 4.339 20 0 FIADLP CCOc1cc(C)ccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463191112 1118007846 /nfs/dbraw/zinc/00/78/46/1118007846.db2.gz LIAUQWHXDGRZKN-UHFFFAOYSA-N 2 2 352.522 4.190 20 0 FIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C2CCN(c3ccccc3)CC2)c(C)c1 ZINC000463193670 1118009558 /nfs/dbraw/zinc/00/95/58/1118009558.db2.gz SKDQBFGDFNOPRU-XMMPIXPASA-N 2 2 374.532 4.500 20 0 FIADLP CC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc(F)ccc1F ZINC000540758453 1118225728 /nfs/dbraw/zinc/22/57/28/1118225728.db2.gz JIAPCOOMGSSEQX-QFBILLFUSA-N 2 2 360.452 4.063 20 0 FIADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc2ccccc2o1 ZINC000540758598 1118225836 /nfs/dbraw/zinc/22/58/36/1118225836.db2.gz LWZVHBOWMLUYJG-QAPCUYQASA-N 2 2 350.466 4.141 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1)CCC2 ZINC000541543903 1118549430 /nfs/dbraw/zinc/54/94/30/1118549430.db2.gz UPYUSJBTYXEJEI-FPOVZHCZSA-N 2 2 364.468 4.291 20 0 FIADLP COc1ccc(Cl)cc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843529 1118718584 /nfs/dbraw/zinc/71/85/84/1118718584.db2.gz VQNPWAUPUWDUIU-GOSISDBHSA-N 2 2 358.913 4.303 20 0 FIADLP COc1ccc(Cl)cc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843529 1118718587 /nfs/dbraw/zinc/71/85/87/1118718587.db2.gz VQNPWAUPUWDUIU-GOSISDBHSA-N 2 2 358.913 4.303 20 0 FIADLP COc1ccc(Cl)cc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843529 1118718591 /nfs/dbraw/zinc/71/85/91/1118718591.db2.gz VQNPWAUPUWDUIU-GOSISDBHSA-N 2 2 358.913 4.303 20 0 FIADLP COc1ccc(Cl)cc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843529 1118718598 /nfs/dbraw/zinc/71/85/98/1118718598.db2.gz VQNPWAUPUWDUIU-GOSISDBHSA-N 2 2 358.913 4.303 20 0 FIADLP CC(C)c1cccc(NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000542133963 1118809535 /nfs/dbraw/zinc/80/95/35/1118809535.db2.gz XXBMIPZNVZUYAC-UHFFFAOYSA-N 2 2 368.525 4.137 20 0 FIADLP CCOCc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000151636412 1118951254 /nfs/dbraw/zinc/95/12/54/1118951254.db2.gz KLKFSBRHRISSBR-UHFFFAOYSA-N 2 2 367.537 4.048 20 0 FIADLP C[N@H+](Cc1ccc2ccccc2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174654484 1119139978 /nfs/dbraw/zinc/13/99/78/1119139978.db2.gz KTVOTXIEBCAVFV-UHFFFAOYSA-N 2 2 359.517 4.374 20 0 FIADLP C[N@@H+](Cc1ccc2ccccc2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174654484 1119139981 /nfs/dbraw/zinc/13/99/81/1119139981.db2.gz KTVOTXIEBCAVFV-UHFFFAOYSA-N 2 2 359.517 4.374 20 0 FIADLP Clc1ccc2c(NC[C@H](c3ccccc3)[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000492680559 1119163701 /nfs/dbraw/zinc/16/37/01/1119163701.db2.gz HXSFWLDAGQADNW-OAQYLSRUSA-N 2 2 367.880 4.374 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC[N@@H+]1C ZINC000493224278 1119351537 /nfs/dbraw/zinc/35/15/37/1119351537.db2.gz DCPPSAWUDUMKPZ-ZTNFWEORSA-N 2 2 360.448 4.450 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC[N@H+]1C ZINC000493224278 1119351538 /nfs/dbraw/zinc/35/15/38/1119351538.db2.gz DCPPSAWUDUMKPZ-ZTNFWEORSA-N 2 2 360.448 4.450 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCc3cc(Br)cc(C)c31)CCC2 ZINC000493763161 1119492196 /nfs/dbraw/zinc/49/21/96/1119492196.db2.gz DPRVPEDFMXGECI-WBVHZDCISA-N 2 2 374.326 4.417 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cc(Br)cs1)CCC2 ZINC000493767817 1119494388 /nfs/dbraw/zinc/49/43/88/1119494388.db2.gz NTZZVXBNIZYYRW-NEPJUHHUSA-N 2 2 354.317 4.244 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183190287 1119568531 /nfs/dbraw/zinc/56/85/31/1119568531.db2.gz GEMFAJHZLWHZTL-CMKODMSKSA-N 3 2 352.526 4.176 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183190287 1119568533 /nfs/dbraw/zinc/56/85/33/1119568533.db2.gz GEMFAJHZLWHZTL-CMKODMSKSA-N 3 2 352.526 4.176 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183190325 1119568582 /nfs/dbraw/zinc/56/85/82/1119568582.db2.gz GEMFAJHZLWHZTL-NLWGTHIKSA-N 3 2 352.526 4.176 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183190325 1119568586 /nfs/dbraw/zinc/56/85/86/1119568586.db2.gz GEMFAJHZLWHZTL-NLWGTHIKSA-N 3 2 352.526 4.176 20 0 FIADLP FC(F)(F)C1CCC(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000186586355 1119738589 /nfs/dbraw/zinc/73/85/89/1119738589.db2.gz HAQNUTHKPDDDED-UHFFFAOYSA-N 2 2 365.443 4.432 20 0 FIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)c1 ZINC000494521135 1119888665 /nfs/dbraw/zinc/88/86/65/1119888665.db2.gz SBFUAIVTSRWUNG-UHFFFAOYSA-N 2 2 374.488 4.405 20 0 FIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)c1 ZINC000494521135 1119888673 /nfs/dbraw/zinc/88/86/73/1119888673.db2.gz SBFUAIVTSRWUNG-UHFFFAOYSA-N 2 2 374.488 4.405 20 0 FIADLP Fc1cc(C[NH2+]Cc2ccc(OCC3CC3)cc2)ccc1-n1cc[nH+]c1 ZINC000190869984 1119951711 /nfs/dbraw/zinc/95/17/11/1119951711.db2.gz BWFKJVAFYPEYHS-UHFFFAOYSA-N 2 2 351.425 4.090 20 0 FIADLP CC(C)N(C)c1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000191326986 1119971212 /nfs/dbraw/zinc/97/12/12/1119971212.db2.gz LLJFTEOJTSPFIH-UHFFFAOYSA-N 2 2 366.553 4.023 20 0 FIADLP CC(C)N(C)c1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000191326986 1119971214 /nfs/dbraw/zinc/97/12/14/1119971214.db2.gz LLJFTEOJTSPFIH-UHFFFAOYSA-N 2 2 366.553 4.023 20 0 FIADLP c1coc(-c2ncc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)s2)c1 ZINC000193002495 1120094150 /nfs/dbraw/zinc/09/41/50/1120094150.db2.gz VCDWIICEXOXULA-UHFFFAOYSA-N 2 2 367.518 4.200 20 0 FIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(Br)cs1 ZINC000194020063 1120231881 /nfs/dbraw/zinc/23/18/81/1120231881.db2.gz GIANIEXFMKCXOW-GFCCVEGCSA-N 2 2 354.317 4.449 20 0 FIADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]Cc3ccc(C4CCC4)cc3)sc2C1 ZINC000494841815 1120340575 /nfs/dbraw/zinc/34/05/75/1120340575.db2.gz HMPQZJASNUHBDL-UHFFFAOYSA-N 2 2 355.551 4.467 20 0 FIADLP CC(C)[N@H+]1CCc2nc(C[NH2+]Cc3ccc(C4CCC4)cc3)sc2C1 ZINC000494841815 1120340578 /nfs/dbraw/zinc/34/05/78/1120340578.db2.gz HMPQZJASNUHBDL-UHFFFAOYSA-N 2 2 355.551 4.467 20 0 FIADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000495058835 1120452319 /nfs/dbraw/zinc/45/23/19/1120452319.db2.gz KUECCTDSYPDRCM-GCJKJVERSA-N 2 2 365.452 4.269 20 0 FIADLP CC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000495092429 1120466113 /nfs/dbraw/zinc/46/61/13/1120466113.db2.gz HNRYGOGFNWGPGW-UHFFFAOYSA-N 2 2 366.431 4.012 20 0 FIADLP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000495092429 1120466116 /nfs/dbraw/zinc/46/61/16/1120466116.db2.gz HNRYGOGFNWGPGW-UHFFFAOYSA-N 2 2 366.431 4.012 20 0 FIADLP c1cn(-c2ccccc2-c2noc([C@H]3CC[C@@H](c4ccccc4)[NH2+]C3)n2)c[nH+]1 ZINC001212207962 1120986956 /nfs/dbraw/zinc/98/69/56/1120986956.db2.gz NLVJVEQVCSCDIT-HKUYNNGSSA-N 2 2 371.444 4.131 20 0 FIADLP CCn1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c2ccccc21 ZINC000397975918 1121328660 /nfs/dbraw/zinc/32/86/60/1121328660.db2.gz KRCYHZZZQAQQDU-NQIIRXRSSA-N 2 2 362.521 4.056 20 0 FIADLP CCn1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c2ccccc21 ZINC000397975918 1121328665 /nfs/dbraw/zinc/32/86/65/1121328665.db2.gz KRCYHZZZQAQQDU-NQIIRXRSSA-N 2 2 362.521 4.056 20 0 FIADLP c1cc(-c2ccccc2)oc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000122827221 1121350616 /nfs/dbraw/zinc/35/06/16/1121350616.db2.gz RTRKITNDCVFATC-UHFFFAOYSA-N 2 2 362.473 4.069 20 0 FIADLP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccccc1F ZINC000126659836 1121973623 /nfs/dbraw/zinc/97/36/23/1121973623.db2.gz MUPXJENSDCQCME-HOTGVXAUSA-N 2 2 359.464 4.128 20 0 FIADLP c1nc2ccccc2n1-c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000127738825 1122141128 /nfs/dbraw/zinc/14/11/28/1122141128.db2.gz WTBXGSAVWPJQEM-UHFFFAOYSA-N 2 2 360.505 4.086 20 0 FIADLP COc1ccc([C@H]2C[C@@H](n3c[nH+]cc3-c3cccc(C[NH3+])c3)CCO2)cc1 ZINC001168624130 1122181918 /nfs/dbraw/zinc/18/19/18/1122181918.db2.gz MLHSJIAXAXWJRW-SIKLNZKXSA-N 2 2 363.461 4.110 20 0 FIADLP CCc1noc(C2CCC([NH2+]C[C@@H](c3ccccc3)[NH+](CC)CC)CC2)n1 ZINC000497858469 1122443865 /nfs/dbraw/zinc/44/38/65/1122443865.db2.gz PNZUIVVMQNUOBK-MHJFOBGBSA-N 2 2 370.541 4.331 20 0 FIADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000129247344 1122560622 /nfs/dbraw/zinc/56/06/22/1122560622.db2.gz DBIQWXQUNCUVLJ-IAGOWNOFSA-N 2 2 351.416 4.185 20 0 FIADLP FC(F)(F)c1cc(C[NH2+]CCCn2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC000129467783 1122608926 /nfs/dbraw/zinc/60/89/26/1122608926.db2.gz KUHULDXNXINELB-UHFFFAOYSA-N 2 2 351.294 4.101 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2csc(Br)c2)C[C@H]1c1ccccc1 ZINC000556058571 1122627810 /nfs/dbraw/zinc/62/78/10/1122627810.db2.gz MESIKKMQYVFRHW-HOTGVXAUSA-N 2 2 365.340 4.436 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]Cc2csc(Br)c2)C[C@H]1c1ccccc1 ZINC000556058571 1122627815 /nfs/dbraw/zinc/62/78/15/1122627815.db2.gz MESIKKMQYVFRHW-HOTGVXAUSA-N 2 2 365.340 4.436 20 0 FIADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000130244741 1122793454 /nfs/dbraw/zinc/79/34/54/1122793454.db2.gz WYZFMSIPHWQAKM-QGZVFWFLSA-N 2 2 364.493 4.429 20 0 FIADLP c1csc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]2CCCO2)c1 ZINC000071122680 1122851190 /nfs/dbraw/zinc/85/11/90/1122851190.db2.gz FWLYGFMFHHUJDJ-LJQANCHMSA-N 2 2 353.491 4.115 20 0 FIADLP c1csc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]2CCCO2)c1 ZINC000071122680 1122851196 /nfs/dbraw/zinc/85/11/96/1122851196.db2.gz FWLYGFMFHHUJDJ-LJQANCHMSA-N 2 2 353.491 4.115 20 0 FIADLP CC(C)CCn1cccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000131087544 1122974640 /nfs/dbraw/zinc/97/46/40/1122974640.db2.gz REAQUSLUDCYXOB-LJQANCHMSA-N 2 2 354.542 4.244 20 0 FIADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000499068003 1123185911 /nfs/dbraw/zinc/18/59/11/1123185911.db2.gz DWKOPWVTDIMXNE-SFHVURJKSA-N 2 2 355.873 4.072 20 0 FIADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000499068003 1123185913 /nfs/dbraw/zinc/18/59/13/1123185913.db2.gz DWKOPWVTDIMXNE-SFHVURJKSA-N 2 2 355.873 4.072 20 0 FIADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132146744 1123222539 /nfs/dbraw/zinc/22/25/39/1123222539.db2.gz GDTFFCJVGWNXMT-OAQYLSRUSA-N 2 2 361.489 4.286 20 0 FIADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132272215 1123237916 /nfs/dbraw/zinc/23/79/16/1123237916.db2.gz FLFRMZZYNMLWQE-INIZCTEOSA-N 2 2 369.896 4.487 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000135154099 1123722008 /nfs/dbraw/zinc/72/20/08/1123722008.db2.gz QKJYRTVQGZEOLC-UHFFFAOYSA-N 2 2 359.739 4.455 20 0 FIADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000237653052 1124011892 /nfs/dbraw/zinc/01/18/92/1124011892.db2.gz ZLVHBPRCJTXCQQ-UHFFFAOYSA-N 2 2 374.960 4.292 20 0 FIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245706271 1124211370 /nfs/dbraw/zinc/21/13/70/1124211370.db2.gz FDQZYYPDBVUZPC-KXBFYZLASA-N 2 2 374.960 4.116 20 0 FIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245706271 1124211377 /nfs/dbraw/zinc/21/13/77/1124211377.db2.gz FDQZYYPDBVUZPC-KXBFYZLASA-N 2 2 374.960 4.116 20 0 FIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245706271 1124211382 /nfs/dbraw/zinc/21/13/82/1124211382.db2.gz FDQZYYPDBVUZPC-KXBFYZLASA-N 2 2 374.960 4.116 20 0 FIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245706271 1124211391 /nfs/dbraw/zinc/21/13/91/1124211391.db2.gz FDQZYYPDBVUZPC-KXBFYZLASA-N 2 2 374.960 4.116 20 0 FIADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000542840335 1124437755 /nfs/dbraw/zinc/43/77/55/1124437755.db2.gz DFGJUSSNJWYCNZ-MRXNPFEDSA-N 2 2 374.960 4.207 20 0 FIADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000542840335 1124437757 /nfs/dbraw/zinc/43/77/57/1124437757.db2.gz DFGJUSSNJWYCNZ-MRXNPFEDSA-N 2 2 374.960 4.207 20 0 FIADLP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000246947811 1124576134 /nfs/dbraw/zinc/57/61/34/1124576134.db2.gz HYRODUKMWDTPKL-AJSBUHFISA-N 2 2 351.538 4.321 20 0 FIADLP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000246947811 1124576137 /nfs/dbraw/zinc/57/61/37/1124576137.db2.gz HYRODUKMWDTPKL-AJSBUHFISA-N 2 2 351.538 4.321 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)CC[N@@H+]1C ZINC000248738191 1124808081 /nfs/dbraw/zinc/80/80/81/1124808081.db2.gz QKAGPNQKBAANET-COXVUDFISA-N 2 2 359.514 4.399 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)CC[N@H+]1C ZINC000248738191 1124808084 /nfs/dbraw/zinc/80/80/84/1124808084.db2.gz QKAGPNQKBAANET-COXVUDFISA-N 2 2 359.514 4.399 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249108334 1124843952 /nfs/dbraw/zinc/84/39/52/1124843952.db2.gz MANRUCRJQXVWNS-LTYHASHMSA-N 2 2 363.549 4.293 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249108334 1124843962 /nfs/dbraw/zinc/84/39/62/1124843962.db2.gz MANRUCRJQXVWNS-LTYHASHMSA-N 2 2 363.549 4.293 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027665 1124976517 /nfs/dbraw/zinc/97/65/17/1124976517.db2.gz NKNBVWFZFORMCN-AVRDEDQJSA-N 2 2 365.521 4.013 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027665 1124976521 /nfs/dbraw/zinc/97/65/21/1124976521.db2.gz NKNBVWFZFORMCN-AVRDEDQJSA-N 2 2 365.521 4.013 20 0 FIADLP CCO[C@H](C)c1nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cs1 ZINC000076719820 1125028132 /nfs/dbraw/zinc/02/81/32/1125028132.db2.gz FGPWWHFHKKBUEU-QGZVFWFLSA-N 2 2 365.587 4.329 20 0 FIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nc2ccccc2n1C ZINC000091336641 1125065876 /nfs/dbraw/zinc/06/58/76/1125065876.db2.gz MAJSZTXDORMIMN-XSLAUPDRSA-N 2 2 374.532 4.420 20 0 FIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nc2ccccc2n1C ZINC000091336641 1125065887 /nfs/dbraw/zinc/06/58/87/1125065887.db2.gz MAJSZTXDORMIMN-XSLAUPDRSA-N 2 2 374.532 4.420 20 0 FIADLP COC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccc(F)c(F)c1 ZINC000091413331 1125072345 /nfs/dbraw/zinc/07/23/45/1125072345.db2.gz UAUCLADPHJANCA-SZNDQCEHSA-N 2 2 371.431 4.497 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cnn(C(C)(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000093318653 1125298568 /nfs/dbraw/zinc/29/85/68/1125298568.db2.gz UMFVPQKAJOZYSR-GHTZIAJQSA-N 2 2 354.542 4.123 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cnn(C(C)(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000093318653 1125298574 /nfs/dbraw/zinc/29/85/74/1125298574.db2.gz UMFVPQKAJOZYSR-GHTZIAJQSA-N 2 2 354.542 4.123 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnn(C(C)(C)C)c2)CC[NH+]1Cc1ccccc1 ZINC000093318653 1125298580 /nfs/dbraw/zinc/29/85/80/1125298580.db2.gz UMFVPQKAJOZYSR-GHTZIAJQSA-N 2 2 354.542 4.123 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnn(C(C)(C)C)c2)CC[NH+]1Cc1ccccc1 ZINC000093318653 1125298584 /nfs/dbraw/zinc/29/85/84/1125298584.db2.gz UMFVPQKAJOZYSR-GHTZIAJQSA-N 2 2 354.542 4.123 20 0 FIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Br)s1 ZINC000038002471 211344285 /nfs/dbraw/zinc/34/42/85/211344285.db2.gz RGLYYZBUFBBOQR-LBPRGKRZSA-N 2 2 366.328 4.225 20 0 FIADLP Cc1ccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1Oc1cc[nH+]cc1 ZINC000604229074 568232867 /nfs/dbraw/zinc/23/28/67/568232867.db2.gz UCURZGPDKAKJKQ-UHFFFAOYSA-N 2 2 371.400 4.015 20 0 FIADLP Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000604313260 568248773 /nfs/dbraw/zinc/24/87/73/568248773.db2.gz PFERWKNNQBZNCQ-AEFFLSMTSA-N 2 2 367.493 4.033 20 0 FIADLP Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000604313260 568248774 /nfs/dbraw/zinc/24/87/74/568248774.db2.gz PFERWKNNQBZNCQ-AEFFLSMTSA-N 2 2 367.493 4.033 20 0 FIADLP Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000604313263 568248791 /nfs/dbraw/zinc/24/87/91/568248791.db2.gz PFERWKNNQBZNCQ-WMZOPIPTSA-N 2 2 367.493 4.033 20 0 FIADLP Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000604313263 568248792 /nfs/dbraw/zinc/24/87/92/568248792.db2.gz PFERWKNNQBZNCQ-WMZOPIPTSA-N 2 2 367.493 4.033 20 0 FIADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000390852015 568346984 /nfs/dbraw/zinc/34/69/84/568346984.db2.gz IDGQTDQZBDGEEG-FCHUYYIVSA-N 2 2 356.485 4.158 20 0 FIADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000390852015 568346985 /nfs/dbraw/zinc/34/69/85/568346985.db2.gz IDGQTDQZBDGEEG-FCHUYYIVSA-N 2 2 356.485 4.158 20 0 FIADLP Clc1scc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1Cl ZINC000365312252 568487698 /nfs/dbraw/zinc/48/76/98/568487698.db2.gz WHSXANSCMHFVJG-UHFFFAOYSA-N 2 2 356.322 4.204 20 0 FIADLP Fc1ccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)c(Cl)c1Cl ZINC000365339953 568532417 /nfs/dbraw/zinc/53/24/17/568532417.db2.gz AXWUUGZFXDYORW-UHFFFAOYSA-N 2 2 351.212 4.003 20 0 FIADLP c1csc(C[N@@H+](Cc2cc3ccccc3o2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261663353 571015857 /nfs/dbraw/zinc/01/58/57/571015857.db2.gz GDQGMAAVFNGEQX-SFHVURJKSA-N 2 2 353.491 4.034 20 0 FIADLP c1csc(C[N@H+](Cc2cc3ccccc3o2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261663353 571015860 /nfs/dbraw/zinc/01/58/60/571015860.db2.gz GDQGMAAVFNGEQX-SFHVURJKSA-N 2 2 353.491 4.034 20 0 FIADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(C4CC4)[nH+]3)C[C@@H]21 ZINC001165027548 721829998 /nfs/dbraw/zinc/82/99/98/721829998.db2.gz SPGRWOGLKOHKFN-KAGYGMCKSA-N 2 2 362.521 4.091 20 0 FIADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(C4CC4)[nH+]3)C[C@@H]21 ZINC001165027548 721830000 /nfs/dbraw/zinc/83/00/00/721830000.db2.gz SPGRWOGLKOHKFN-KAGYGMCKSA-N 2 2 362.521 4.091 20 0 FIADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(C4CC4)[nH+]3)C[C@H]21 ZINC001165027546 721830087 /nfs/dbraw/zinc/83/00/87/721830087.db2.gz SPGRWOGLKOHKFN-CZTZKLFOSA-N 2 2 362.521 4.091 20 0 FIADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(C4CC4)[nH+]3)C[C@H]21 ZINC001165027546 721830088 /nfs/dbraw/zinc/83/00/88/721830088.db2.gz SPGRWOGLKOHKFN-CZTZKLFOSA-N 2 2 362.521 4.091 20 0 FIADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000093644760 1125471713 /nfs/dbraw/zinc/47/17/13/1125471713.db2.gz XYMVFELBMIXKHW-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000093644760 1125471716 /nfs/dbraw/zinc/47/17/16/1125471716.db2.gz XYMVFELBMIXKHW-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000093644760 1125471720 /nfs/dbraw/zinc/47/17/20/1125471720.db2.gz XYMVFELBMIXKHW-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000093644760 1125471724 /nfs/dbraw/zinc/47/17/24/1125471724.db2.gz XYMVFELBMIXKHW-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccccc3nc2N2CCCCC2)CC[N@@H+]1C ZINC000093644974 1125472692 /nfs/dbraw/zinc/47/26/92/1125472692.db2.gz RWBWRHPIOWXYCN-GHTZIAJQSA-N 2 2 366.553 4.140 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccccc3nc2N2CCCCC2)CC[N@H+]1C ZINC000093644974 1125472695 /nfs/dbraw/zinc/47/26/95/1125472695.db2.gz RWBWRHPIOWXYCN-GHTZIAJQSA-N 2 2 366.553 4.140 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3nc2N2CCCCC2)CC[NH+]1C ZINC000093644974 1125472698 /nfs/dbraw/zinc/47/26/98/1125472698.db2.gz RWBWRHPIOWXYCN-GHTZIAJQSA-N 2 2 366.553 4.140 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3ccccc3nc2N2CCCCC2)CC[NH+]1C ZINC000093644974 1125472700 /nfs/dbraw/zinc/47/27/00/1125472700.db2.gz RWBWRHPIOWXYCN-GHTZIAJQSA-N 2 2 366.553 4.140 20 0 FIADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000093770510 1125520481 /nfs/dbraw/zinc/52/04/81/1125520481.db2.gz IKIVRICJMGOWLU-GOSISDBHSA-N 2 2 374.550 4.109 20 0 FIADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000093770510 1125520484 /nfs/dbraw/zinc/52/04/84/1125520484.db2.gz IKIVRICJMGOWLU-GOSISDBHSA-N 2 2 374.550 4.109 20 0 FIADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000093770510 1125520488 /nfs/dbraw/zinc/52/04/88/1125520488.db2.gz IKIVRICJMGOWLU-GOSISDBHSA-N 2 2 374.550 4.109 20 0 FIADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000093770510 1125520491 /nfs/dbraw/zinc/52/04/91/1125520491.db2.gz IKIVRICJMGOWLU-GOSISDBHSA-N 2 2 374.550 4.109 20 0 FIADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000261716891 1125649698 /nfs/dbraw/zinc/64/96/98/1125649698.db2.gz QHONTRBMDMAWGA-GARJFASQSA-N 2 2 354.338 4.454 20 0 FIADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000261716891 1125649701 /nfs/dbraw/zinc/64/97/01/1125649701.db2.gz QHONTRBMDMAWGA-GARJFASQSA-N 2 2 354.338 4.454 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@@H](C)c1nc2ccccc2s1 ZINC000152780606 1125650877 /nfs/dbraw/zinc/65/08/77/1125650877.db2.gz GKXADKLDRMTPSD-HUUCEWRRSA-N 2 2 354.523 4.153 20 0 FIADLP Cc1nc2ccc(C[NH2+][C@H](Cc3[nH+]ccn3C)c3ccccc3)cc2s1 ZINC000683146034 1079680481 /nfs/dbraw/zinc/68/04/81/1079680481.db2.gz VAIHUXMNCWVUJO-LJQANCHMSA-N 2 2 362.502 4.412 20 0 FIADLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000155187673 1080680337 /nfs/dbraw/zinc/68/03/37/1080680337.db2.gz XPRPLGGMEXXSDX-UHFFFAOYSA-N 2 2 367.884 4.139 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000655680548 1081109037 /nfs/dbraw/zinc/10/90/37/1081109037.db2.gz PLBOJUONOIQUTF-YPMHNXCESA-N 2 2 361.288 4.036 20 0 FIADLP Clc1cccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000655703848 1081125256 /nfs/dbraw/zinc/12/52/56/1081125256.db2.gz WOTKILZHUVGMTI-FCHUYYIVSA-N 2 2 370.924 4.272 20 0 FIADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(O[C@@H](C)CC(C)C)c1 ZINC000655723492 1081140868 /nfs/dbraw/zinc/14/08/68/1081140868.db2.gz OYPXZBVOZDHZGJ-SIKLNZKXSA-N 2 2 374.569 4.151 20 0 FIADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000655734396 1081152336 /nfs/dbraw/zinc/15/23/36/1081152336.db2.gz HKPTUQGMORLJEI-RTBURBONSA-N 2 2 370.459 4.245 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000655735851 1081153095 /nfs/dbraw/zinc/15/30/95/1081153095.db2.gz KYRKYXMWWDXQLN-HLLBOEOZSA-N 2 2 370.459 4.040 20 0 FIADLP CC([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)(c1ccccc1)c1ccccc1 ZINC000655747953 1081162323 /nfs/dbraw/zinc/16/23/23/1081162323.db2.gz MPZRJKRHVOGIJY-HSZRJFAPSA-N 2 2 364.533 4.183 20 0 FIADLP CC(C)c1nsc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC001167306465 1081242938 /nfs/dbraw/zinc/24/29/38/1081242938.db2.gz FEDVHDGUUXLWFI-UHFFFAOYSA-N 2 2 358.555 4.006 20 0 FIADLP CC(C)c1nsc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC001167306465 1081242943 /nfs/dbraw/zinc/24/29/43/1081242943.db2.gz FEDVHDGUUXLWFI-UHFFFAOYSA-N 2 2 358.555 4.006 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848603 1081257364 /nfs/dbraw/zinc/25/73/64/1081257364.db2.gz JEFWVMMYWFOEMV-DUXKGJEZSA-N 2 2 357.542 4.134 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848603 1081257367 /nfs/dbraw/zinc/25/73/67/1081257367.db2.gz JEFWVMMYWFOEMV-DUXKGJEZSA-N 2 2 357.542 4.134 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)cs2)C[C@H]1c1ccccc1 ZINC000580174940 1081733127 /nfs/dbraw/zinc/73/31/27/1081733127.db2.gz WYSXDTOWVFCAGJ-WBVHZDCISA-N 2 2 365.340 4.436 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)cs2)C[C@H]1c1ccccc1 ZINC000580174940 1081733134 /nfs/dbraw/zinc/73/31/34/1081733134.db2.gz WYSXDTOWVFCAGJ-WBVHZDCISA-N 2 2 365.340 4.436 20 0 FIADLP c1cn(Cc2ccccc2C[NH2+]Cc2ncc(-c3ccccc3)s2)c[nH+]1 ZINC000580363770 1081900749 /nfs/dbraw/zinc/90/07/49/1081900749.db2.gz MZFFKDCSJSZXOG-UHFFFAOYSA-N 2 2 360.486 4.345 20 0 FIADLP C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001167397223 1081938705 /nfs/dbraw/zinc/93/87/05/1081938705.db2.gz FCXHDQSVVDVCPU-GMAHTHKFSA-N 2 2 363.549 4.077 20 0 FIADLP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001167397223 1081938707 /nfs/dbraw/zinc/93/87/07/1081938707.db2.gz FCXHDQSVVDVCPU-GMAHTHKFSA-N 2 2 363.549 4.077 20 0 FIADLP Cn1c[nH+]cc1CCC[NH2+]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000581080145 1082303270 /nfs/dbraw/zinc/30/32/70/1082303270.db2.gz NGLIUPFZZDBUHB-UHFFFAOYSA-N 2 2 371.529 4.233 20 0 FIADLP c1ccc(C(OCC[NH+]2CCC([NH2+]CC3CC3)CC2)c2ccccc2)cc1 ZINC000430545895 1082425605 /nfs/dbraw/zinc/42/56/05/1082425605.db2.gz RGVLDSMHKPRUGC-UHFFFAOYSA-N 2 2 364.533 4.257 20 0 FIADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000430554015 1082447849 /nfs/dbraw/zinc/44/78/49/1082447849.db2.gz UMRDRHSIPSNJIY-OCCSQVGLSA-N 2 2 369.456 4.388 20 0 FIADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000430554015 1082447851 /nfs/dbraw/zinc/44/78/51/1082447851.db2.gz UMRDRHSIPSNJIY-OCCSQVGLSA-N 2 2 369.456 4.388 20 0 FIADLP Cc1ccc(C[C@H](C)[N@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001167454202 1082458026 /nfs/dbraw/zinc/45/80/26/1082458026.db2.gz QFUOKFFXNUQPPG-URXFXBBRSA-N 2 2 366.549 4.149 20 0 FIADLP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001167454202 1082458029 /nfs/dbraw/zinc/45/80/29/1082458029.db2.gz QFUOKFFXNUQPPG-URXFXBBRSA-N 2 2 366.549 4.149 20 0 FIADLP Cc1ccc(C[C@H](C)[NH+](C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001167454202 1082458033 /nfs/dbraw/zinc/45/80/33/1082458033.db2.gz QFUOKFFXNUQPPG-URXFXBBRSA-N 2 2 366.549 4.149 20 0 FIADLP Cc1ccc(C[C@H](C)[NH+](C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001167454202 1082458036 /nfs/dbraw/zinc/45/80/36/1082458036.db2.gz QFUOKFFXNUQPPG-URXFXBBRSA-N 2 2 366.549 4.149 20 0 FIADLP Cc1[nH+]cc(CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)n1-c1ccccc1 ZINC000510390270 1082475349 /nfs/dbraw/zinc/47/53/49/1082475349.db2.gz BUKYKQKXIQFHOG-LVCYWYKZSA-N 2 2 352.526 4.018 20 0 FIADLP Cc1[nH+]cc(CN2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)n1-c1ccccc1 ZINC000510390270 1082475358 /nfs/dbraw/zinc/47/53/58/1082475358.db2.gz BUKYKQKXIQFHOG-LVCYWYKZSA-N 2 2 352.526 4.018 20 0 FIADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000430563347 1082481170 /nfs/dbraw/zinc/48/11/70/1082481170.db2.gz IQTWMMUEPZUZCV-CBQOVEMMSA-N 2 2 365.521 4.042 20 0 FIADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000430563347 1082481173 /nfs/dbraw/zinc/48/11/73/1082481173.db2.gz IQTWMMUEPZUZCV-CBQOVEMMSA-N 2 2 365.521 4.042 20 0 FIADLP Nc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001648911778 1082530146 /nfs/dbraw/zinc/53/01/46/1082530146.db2.gz WFAOWILMWWIKCS-UHFFFAOYSA-N 2 2 365.239 4.190 20 0 FIADLP Cc1cc2c(s1)N(c1cccc(C[NH+](C)C)n1)c1ccccc1NC2=[NH2+] ZINC001167463318 1082580207 /nfs/dbraw/zinc/58/02/07/1082580207.db2.gz KMTNJIAVCJWORB-UHFFFAOYSA-N 2 2 363.490 4.333 20 0 FIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCCNc2ccccc21)c1ccccc1 ZINC000581851408 1082929225 /nfs/dbraw/zinc/92/92/25/1082929225.db2.gz LAPNNAPVMBULPC-GMAHTHKFSA-N 2 2 367.537 4.233 20 0 FIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCCNc2ccccc21)c1ccccc1 ZINC000581851408 1082929226 /nfs/dbraw/zinc/92/92/26/1082929226.db2.gz LAPNNAPVMBULPC-GMAHTHKFSA-N 2 2 367.537 4.233 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510658925 1083225072 /nfs/dbraw/zinc/22/50/72/1083225072.db2.gz VUCJXYAWGIAXMC-DLBZAZTESA-N 2 2 373.491 4.496 20 0 FIADLP C[C@@H](c1ccccc1F)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430923397 1083237780 /nfs/dbraw/zinc/23/77/80/1083237780.db2.gz DKQZXKQFIUWPSC-SFHVURJKSA-N 3 2 361.549 4.015 20 0 FIADLP C[C@@H](c1ccccc1F)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430923397 1083237784 /nfs/dbraw/zinc/23/77/84/1083237784.db2.gz DKQZXKQFIUWPSC-SFHVURJKSA-N 3 2 361.549 4.015 20 0 FIADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000510737036 1083288156 /nfs/dbraw/zinc/28/81/56/1083288156.db2.gz RRYSRPRJZPIJCV-WMLDXEAASA-N 2 2 360.489 4.053 20 0 FIADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)c(C)c1 ZINC000658225943 1083361308 /nfs/dbraw/zinc/36/13/08/1083361308.db2.gz DIZMZMGOGKYCND-RTBURBONSA-N 2 2 357.542 4.017 20 0 FIADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)c(C)c1 ZINC000658225943 1083361315 /nfs/dbraw/zinc/36/13/15/1083361315.db2.gz DIZMZMGOGKYCND-RTBURBONSA-N 2 2 357.542 4.017 20 0 FIADLP CCCCCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000658291683 1083396156 /nfs/dbraw/zinc/39/61/56/1083396156.db2.gz DNHZVFAWCQENPT-GHTZIAJQSA-N 2 2 360.542 4.160 20 0 FIADLP Cc1cccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2cccc(F)c2)c1 ZINC000658295322 1083397037 /nfs/dbraw/zinc/39/70/37/1083397037.db2.gz LVBZFKZKKSAKJC-XZOQPEGZSA-N 2 2 368.496 4.066 20 0 FIADLP CC(C)(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000658296241 1083398663 /nfs/dbraw/zinc/39/86/63/1083398663.db2.gz YGLKYAFVSPDQBQ-WIYYLYMNSA-N 2 2 356.510 4.363 20 0 FIADLP CC(C)Oc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC000658295378 1083399210 /nfs/dbraw/zinc/39/92/10/1083399210.db2.gz MGVFEVGMHGFTEA-MAUKXSAKSA-N 2 2 366.933 4.031 20 0 FIADLP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCCS2 ZINC000658296286 1083399403 /nfs/dbraw/zinc/39/94/03/1083399403.db2.gz YJEUVHWOXRZRLJ-SJLPKXTDSA-N 2 2 366.958 4.110 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000092588082 1083445521 /nfs/dbraw/zinc/44/55/21/1083445521.db2.gz IBFWLROGAFPBTH-ZWKOTPCHSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000092588082 1083445526 /nfs/dbraw/zinc/44/55/26/1083445526.db2.gz IBFWLROGAFPBTH-ZWKOTPCHSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000092588082 1083445531 /nfs/dbraw/zinc/44/55/31/1083445531.db2.gz IBFWLROGAFPBTH-ZWKOTPCHSA-N 2 2 370.566 4.292 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000092588082 1083445539 /nfs/dbraw/zinc/44/55/39/1083445539.db2.gz IBFWLROGAFPBTH-ZWKOTPCHSA-N 2 2 370.566 4.292 20 0 FIADLP COc1cc2c(NCc3ccc(C)[nH+]c3N3CCCC3)cc[nH+]c2cc1F ZINC000684580675 1083501075 /nfs/dbraw/zinc/50/10/75/1083501075.db2.gz YLUVAQKIRUZUAY-UHFFFAOYSA-N 2 2 366.440 4.298 20 0 FIADLP Fc1c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cccc1OC1CC1 ZINC000657285949 1084229967 /nfs/dbraw/zinc/22/99/67/1084229967.db2.gz RXDWGOZOANIEDP-UHFFFAOYSA-N 2 2 354.469 4.121 20 0 FIADLP c1ccc(NCCCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)[nH+]c1 ZINC000431345813 1084557492 /nfs/dbraw/zinc/55/74/92/1084557492.db2.gz AFVOGJMCZUFWDG-HXUWFJFHSA-N 2 2 351.494 4.266 20 0 FIADLP COC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(Cl)c1 ZINC000582092240 1084602801 /nfs/dbraw/zinc/60/28/01/1084602801.db2.gz HMBJHZUCJHOEGM-FQEVSTJZSA-N 2 2 369.896 4.105 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1cc2n(n1)CCC2 ZINC000414115507 1084606156 /nfs/dbraw/zinc/60/61/56/1084606156.db2.gz NBUWAHSBICOAAW-SFHVURJKSA-N 2 2 352.526 4.056 20 0 FIADLP C[C@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000467185402 1084658889 /nfs/dbraw/zinc/65/88/89/1084658889.db2.gz FFKOTSKFTDTLDX-IRXDYDNUSA-N 2 2 372.944 4.268 20 0 FIADLP C[C@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000467185402 1084658895 /nfs/dbraw/zinc/65/88/95/1084658895.db2.gz FFKOTSKFTDTLDX-IRXDYDNUSA-N 2 2 372.944 4.268 20 0 FIADLP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000472577598 1084991803 /nfs/dbraw/zinc/99/18/03/1084991803.db2.gz COGFJQNSANLRLT-QAPCUYQASA-N 2 2 351.332 4.318 20 0 FIADLP CC[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000472577598 1084991807 /nfs/dbraw/zinc/99/18/07/1084991807.db2.gz COGFJQNSANLRLT-QAPCUYQASA-N 2 2 351.332 4.318 20 0 FIADLP CCOc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(C)c1 ZINC000657452248 1085100616 /nfs/dbraw/zinc/10/06/16/1085100616.db2.gz CJPLWIKNDHHWAT-UHFFFAOYSA-N 2 2 370.459 4.289 20 0 FIADLP Cc1ccc2cc(C[NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)[nH]c2c1 ZINC000657453285 1085103850 /nfs/dbraw/zinc/10/38/50/1085103850.db2.gz UOOIRQXOEBSSTL-UHFFFAOYSA-N 2 2 365.443 4.371 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000564407179 1085105345 /nfs/dbraw/zinc/10/53/45/1085105345.db2.gz UOFSPARPHCCERZ-UHFFFAOYSA-N 2 2 368.521 4.019 20 0 FIADLP c1c2cnccc2oc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000651650930 1085292067 /nfs/dbraw/zinc/29/20/67/1085292067.db2.gz FKIGTNUOJWONLS-DENIHFKCSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cnccc2oc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000651650930 1085292076 /nfs/dbraw/zinc/29/20/76/1085292076.db2.gz FKIGTNUOJWONLS-DENIHFKCSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cnccc2oc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000651650930 1085292084 /nfs/dbraw/zinc/29/20/84/1085292084.db2.gz FKIGTNUOJWONLS-DENIHFKCSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cnccc2oc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000651650930 1085292090 /nfs/dbraw/zinc/29/20/90/1085292090.db2.gz FKIGTNUOJWONLS-DENIHFKCSA-N 2 2 361.489 4.314 20 0 FIADLP FC(F)(F)[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)OC1CCCC1 ZINC000657587027 1085648497 /nfs/dbraw/zinc/64/84/97/1085648497.db2.gz OWRGHIOLSJDTCK-IBGZPJMESA-N 2 2 370.459 4.131 20 0 FIADLP Cc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1Br ZINC000091469527 1085817441 /nfs/dbraw/zinc/81/74/41/1085817441.db2.gz XTAHPJBHINXWLE-MRXNPFEDSA-N 2 2 350.304 4.159 20 0 FIADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000661786959 1085822711 /nfs/dbraw/zinc/82/27/11/1085822711.db2.gz FVZPAFMRLXDPEY-IBGZPJMESA-N 2 2 357.910 4.325 20 0 FIADLP Cn1c[nH+]cc1CC[N@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000661786959 1085822717 /nfs/dbraw/zinc/82/27/17/1085822717.db2.gz FVZPAFMRLXDPEY-IBGZPJMESA-N 2 2 357.910 4.325 20 0 FIADLP FC(F)(F)c1ccc(C2([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000652329223 1085874656 /nfs/dbraw/zinc/87/46/56/1085874656.db2.gz NSVCJINXFWTYQL-UHFFFAOYSA-N 2 2 361.411 4.348 20 0 FIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)c1ccccc1 ZINC000582944701 1085947856 /nfs/dbraw/zinc/94/78/56/1085947856.db2.gz AQZDOLCZSSXIGF-IHPCNDPISA-N 2 2 354.542 4.165 20 0 FIADLP C[N@H+](Cc1cscn1)Cc1cccc(N[C@H]2CC[NH+](C)C(C)(C)C2)c1 ZINC000628197022 1086068067 /nfs/dbraw/zinc/06/80/67/1086068067.db2.gz MZILHDOHBDVRQY-SFHVURJKSA-N 2 2 358.555 4.060 20 0 FIADLP C[N@@H+](Cc1cscn1)Cc1cccc(N[C@H]2CC[NH+](C)C(C)(C)C2)c1 ZINC000628197022 1086068071 /nfs/dbraw/zinc/06/80/71/1086068071.db2.gz MZILHDOHBDVRQY-SFHVURJKSA-N 2 2 358.555 4.060 20 0 FIADLP C[NH+](Cc1cscn1)Cc1cccc(N[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000628197022 1086068089 /nfs/dbraw/zinc/06/80/89/1086068089.db2.gz MZILHDOHBDVRQY-SFHVURJKSA-N 2 2 358.555 4.060 20 0 FIADLP C[NH+](Cc1cscn1)Cc1cccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000628197022 1086068099 /nfs/dbraw/zinc/06/80/99/1086068099.db2.gz MZILHDOHBDVRQY-SFHVURJKSA-N 2 2 358.555 4.060 20 0 FIADLP COc1cc(C)c(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1OC ZINC000583051799 1086097391 /nfs/dbraw/zinc/09/73/91/1086097391.db2.gz GYMRHCUZGSXPEM-UHFFFAOYSA-N 2 2 368.521 4.109 20 0 FIADLP COc1cc(C)c(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1OC ZINC000583051799 1086097409 /nfs/dbraw/zinc/09/74/09/1086097409.db2.gz GYMRHCUZGSXPEM-UHFFFAOYSA-N 2 2 368.521 4.109 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cc(Cl)ccc1O ZINC000248521673 1086171306 /nfs/dbraw/zinc/17/13/06/1086171306.db2.gz RODHDLHXNIJARM-JKSUJKDBSA-N 2 2 374.912 4.117 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cc(Cl)ccc1O ZINC000248521673 1086171312 /nfs/dbraw/zinc/17/13/12/1086171312.db2.gz RODHDLHXNIJARM-JKSUJKDBSA-N 2 2 374.912 4.117 20 0 FIADLP Fc1ccccc1COC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000091868537 1086238940 /nfs/dbraw/zinc/23/89/40/1086238940.db2.gz KFBWGQZBXHWKSO-UHFFFAOYSA-N 2 2 365.452 4.193 20 0 FIADLP CC(C)[C@H](O)[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000657745659 1086466153 /nfs/dbraw/zinc/46/61/53/1086466153.db2.gz JOYMRONJULOLSS-RPWUZVMVSA-N 2 2 366.549 4.041 20 0 FIADLP Nc1cccc2c1cc[nH+]c2NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000663398810 1086514972 /nfs/dbraw/zinc/51/49/72/1086514972.db2.gz VNQXGZJGASZWMP-UHFFFAOYSA-N 2 2 350.441 4.033 20 0 FIADLP Oc1ccc(C2CCC([NH2+]Cc3ccccc3Cn3cc[nH+]c3)CC2)cc1 ZINC000583290477 1086530381 /nfs/dbraw/zinc/53/03/81/1086530381.db2.gz YDXVBHQMUNCIMW-UHFFFAOYSA-N 2 2 361.489 4.453 20 0 FIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143449085 1086658863 /nfs/dbraw/zinc/65/88/63/1086658863.db2.gz VRMUEJZADLHEAD-AWEZNQCLSA-N 2 2 370.346 4.081 20 0 FIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143449085 1086658869 /nfs/dbraw/zinc/65/88/69/1086658869.db2.gz VRMUEJZADLHEAD-AWEZNQCLSA-N 2 2 370.346 4.081 20 0 FIADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CCCO1 ZINC000432361200 1086659827 /nfs/dbraw/zinc/65/98/27/1086659827.db2.gz YPXMKUSDIBVROV-INIZCTEOSA-N 2 2 362.901 4.191 20 0 FIADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CCCO1 ZINC000432361200 1086659829 /nfs/dbraw/zinc/65/98/29/1086659829.db2.gz YPXMKUSDIBVROV-INIZCTEOSA-N 2 2 362.901 4.191 20 0 FIADLP COCC[N@H+](C)CC[C@H]([NH2+]Cc1ccc2occc2c1)c1ccccc1 ZINC000512132676 1086802109 /nfs/dbraw/zinc/80/21/09/1086802109.db2.gz WNFDDFYRQRJUBM-NRFANRHFSA-N 2 2 352.478 4.232 20 0 FIADLP COCC[N@@H+](C)CC[C@H]([NH2+]Cc1ccc2occc2c1)c1ccccc1 ZINC000512132676 1086802130 /nfs/dbraw/zinc/80/21/30/1086802130.db2.gz WNFDDFYRQRJUBM-NRFANRHFSA-N 2 2 352.478 4.232 20 0 FIADLP COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000151664351 1087196999 /nfs/dbraw/zinc/19/69/99/1087196999.db2.gz GJPOWJDCPMFZKB-CVEARBPZSA-N 2 2 351.450 4.301 20 0 FIADLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC000187648697 1087226992 /nfs/dbraw/zinc/22/69/92/1087226992.db2.gz ABOSQYMCNRPVCY-UHFFFAOYSA-N 2 2 373.884 4.045 20 0 FIADLP c1csc(-c2ncc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)s2)c1 ZINC000083449006 1087340456 /nfs/dbraw/zinc/34/04/56/1087340456.db2.gz OBMKZRCYGGLJGP-UHFFFAOYSA-N 2 2 366.515 4.406 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000089214181 1087380691 /nfs/dbraw/zinc/38/06/91/1087380691.db2.gz AWSHRXAYJDITPN-WQTXXOFMSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000089214181 1087380695 /nfs/dbraw/zinc/38/06/95/1087380695.db2.gz AWSHRXAYJDITPN-WQTXXOFMSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000090920012 1087411375 /nfs/dbraw/zinc/41/13/75/1087411375.db2.gz CELNMENXGWBWAV-AVRDEDQJSA-N 3 2 369.528 4.030 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000090920012 1087411377 /nfs/dbraw/zinc/41/13/77/1087411377.db2.gz CELNMENXGWBWAV-AVRDEDQJSA-N 3 2 369.528 4.030 20 0 FIADLP C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090975062 1087416787 /nfs/dbraw/zinc/41/67/87/1087416787.db2.gz VDIDNQKFQGKFBJ-IVMQYODDSA-N 2 2 369.509 4.423 20 0 FIADLP CC(C)c1nsc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000092656237 1087443560 /nfs/dbraw/zinc/44/35/60/1087443560.db2.gz YWQJDUGKBKXQFU-UHFFFAOYSA-N 2 2 359.543 4.183 20 0 FIADLP Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCCn1cc[nH+]c1 ZINC000142499178 1087486251 /nfs/dbraw/zinc/48/62/51/1087486251.db2.gz LUMRXBUBAXNYNP-QGZVFWFLSA-N 2 2 373.298 4.184 20 0 FIADLP COC[C@@H](CC1CCOCC1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000657886017 1087535201 /nfs/dbraw/zinc/53/52/01/1087535201.db2.gz CFTOOSFGWPKVKB-SIKLNZKXSA-N 2 2 374.569 4.071 20 0 FIADLP Cc1cc(F)c(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1Br ZINC001140698729 1087577870 /nfs/dbraw/zinc/57/78/70/1087577870.db2.gz OYSJLOSULRCVRP-UHFFFAOYSA-N 2 2 357.311 4.201 20 0 FIADLP Cc1cc(F)c(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1Br ZINC001140698729 1087577875 /nfs/dbraw/zinc/57/78/75/1087577875.db2.gz OYSJLOSULRCVRP-UHFFFAOYSA-N 2 2 357.311 4.201 20 0 FIADLP CC(C)C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Br)c1 ZINC000685662307 1087668567 /nfs/dbraw/zinc/66/85/67/1087668567.db2.gz MJOLTSNFNAOJHW-WBVHZDCISA-N 2 2 362.315 4.407 20 0 FIADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000093770087 1087691074 /nfs/dbraw/zinc/69/10/74/1087691074.db2.gz NYHNCWPVKXGQBP-ZDUSSCGKSA-N 2 2 355.309 4.043 20 0 FIADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000093770087 1087691076 /nfs/dbraw/zinc/69/10/76/1087691076.db2.gz NYHNCWPVKXGQBP-ZDUSSCGKSA-N 2 2 355.309 4.043 20 0 FIADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000093770087 1087691077 /nfs/dbraw/zinc/69/10/77/1087691077.db2.gz NYHNCWPVKXGQBP-ZDUSSCGKSA-N 2 2 355.309 4.043 20 0 FIADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000093770087 1087691079 /nfs/dbraw/zinc/69/10/79/1087691079.db2.gz NYHNCWPVKXGQBP-ZDUSSCGKSA-N 2 2 355.309 4.043 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000658194435 1087787341 /nfs/dbraw/zinc/78/73/41/1087787341.db2.gz JWYHCURATHQPMX-WOJBJXKFSA-N 2 2 351.881 4.114 20 0 FIADLP CC[C@@H]1C[N@@H+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC[C@H]1[NH3+] ZINC000647934715 1087805082 /nfs/dbraw/zinc/80/50/82/1087805082.db2.gz NSQMICUYRIBQND-CNDZOEFASA-N 2 2 361.489 4.151 20 0 FIADLP CC[C@@H]1C[N@H+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC[C@H]1[NH3+] ZINC000647934715 1087805107 /nfs/dbraw/zinc/80/51/07/1087805107.db2.gz NSQMICUYRIBQND-CNDZOEFASA-N 2 2 361.489 4.151 20 0 FIADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1O ZINC000414839440 1088438868 /nfs/dbraw/zinc/43/88/68/1088438868.db2.gz WJUQNEPKDCWMHX-JXFKEZNVSA-N 2 2 356.510 4.135 20 0 FIADLP C[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)Cc1cccs1 ZINC000167499482 1088672336 /nfs/dbraw/zinc/67/23/36/1088672336.db2.gz NLFSSTQOUMUWJV-QGZVFWFLSA-N 2 2 357.567 4.251 20 0 FIADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000236610388 1088717099 /nfs/dbraw/zinc/71/70/99/1088717099.db2.gz SLZMXAWFGACGCZ-LJQANCHMSA-N 2 2 374.960 4.103 20 0 FIADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000236610388 1088717116 /nfs/dbraw/zinc/71/71/16/1088717116.db2.gz SLZMXAWFGACGCZ-LJQANCHMSA-N 2 2 374.960 4.103 20 0 FIADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OC(F)(F)F)cc1 ZINC000514085671 1088726803 /nfs/dbraw/zinc/72/68/03/1088726803.db2.gz WNSSQROWFOLTEN-KRWDZBQOSA-N 2 2 367.415 4.401 20 0 FIADLP CC[N@H+](CCSC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000514117957 1088784469 /nfs/dbraw/zinc/78/44/69/1088784469.db2.gz CVVGNLRBRBPOPD-UHFFFAOYSA-N 2 2 364.603 4.341 20 0 FIADLP CC[N@@H+](CCSC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000514117957 1088784486 /nfs/dbraw/zinc/78/44/86/1088784486.db2.gz CVVGNLRBRBPOPD-UHFFFAOYSA-N 2 2 364.603 4.341 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000468550921 1088933546 /nfs/dbraw/zinc/93/35/46/1088933546.db2.gz AZEBZVQLXMKMFB-HNNXBMFYSA-N 2 2 372.475 4.115 20 0 FIADLP COc1ccc(Cl)cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434677835 1088943288 /nfs/dbraw/zinc/94/32/88/1088943288.db2.gz ZGWPCMUJHKKQPY-UHFFFAOYSA-N 2 2 359.901 4.261 20 0 FIADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000425145493 1088959608 /nfs/dbraw/zinc/95/96/08/1088959608.db2.gz OHYWJFQIHIORRO-NRFANRHFSA-N 2 2 374.488 4.166 20 0 FIADLP Cc1ccc(CC2CC[NH+](Cc3ncc(C[NH+](C)C)s3)CC2)cc1C ZINC000430106263 1088995146 /nfs/dbraw/zinc/99/51/46/1088995146.db2.gz PGECERWACNWMMT-UHFFFAOYSA-N 2 2 357.567 4.276 20 0 FIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000415063068 1089112948 /nfs/dbraw/zinc/11/29/48/1089112948.db2.gz GWOFESPPDRGFGX-HNAYVOBHSA-N 2 2 373.928 4.218 20 0 FIADLP Brc1cc2c(s1)CC[C@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000514619604 1089275896 /nfs/dbraw/zinc/27/58/96/1089275896.db2.gz MGOPCTUGWQASQQ-CQSZACIVSA-N 2 2 374.307 4.473 20 0 FIADLP CCOC1CC(C[N@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC000377410898 1089333991 /nfs/dbraw/zinc/33/39/91/1089333991.db2.gz KHXYHSZHNISODX-UHFFFAOYSA-N 2 2 374.573 4.014 20 0 FIADLP CCOC1CC(C[N@@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC000377410898 1089334016 /nfs/dbraw/zinc/33/40/16/1089334016.db2.gz KHXYHSZHNISODX-UHFFFAOYSA-N 2 2 374.573 4.014 20 0 FIADLP C[C@H]1C[N@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000435373360 1089566463 /nfs/dbraw/zinc/56/64/63/1089566463.db2.gz MRZOFIWAHSLQOS-KSSFIOAISA-N 2 2 360.933 4.128 20 0 FIADLP C[C@H]1C[N@@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000435373360 1089566478 /nfs/dbraw/zinc/56/64/78/1089566478.db2.gz MRZOFIWAHSLQOS-KSSFIOAISA-N 2 2 360.933 4.128 20 0 FIADLP C[C@@H]1C[N@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000435373359 1089567036 /nfs/dbraw/zinc/56/70/36/1089567036.db2.gz MRZOFIWAHSLQOS-KDOFPFPSSA-N 2 2 360.933 4.128 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000435373359 1089567046 /nfs/dbraw/zinc/56/70/46/1089567046.db2.gz MRZOFIWAHSLQOS-KDOFPFPSSA-N 2 2 360.933 4.128 20 0 FIADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000435369714 1089577044 /nfs/dbraw/zinc/57/70/44/1089577044.db2.gz GGYDZCDSYZFTPJ-WDEREUQCSA-N 2 2 356.322 4.286 20 0 FIADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000435369714 1089577053 /nfs/dbraw/zinc/57/70/53/1089577053.db2.gz GGYDZCDSYZFTPJ-WDEREUQCSA-N 2 2 356.322 4.286 20 0 FIADLP Cc1ncsc1C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC000435446607 1089671154 /nfs/dbraw/zinc/67/11/54/1089671154.db2.gz KWACHVROTQRKMZ-CQSZACIVSA-N 2 2 369.456 4.082 20 0 FIADLP Cc1ncsc1C[N@H+](Cc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC000435446607 1089671167 /nfs/dbraw/zinc/67/11/67/1089671167.db2.gz KWACHVROTQRKMZ-CQSZACIVSA-N 2 2 369.456 4.082 20 0 FIADLP c1ccc(-c2ccc(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cn2)nc1 ZINC000425398997 1089836173 /nfs/dbraw/zinc/83/61/73/1089836173.db2.gz VOEJWXSHPHXSRN-OAQYLSRUSA-N 2 2 364.537 4.232 20 0 FIADLP c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cn2)nc1 ZINC000425398997 1089836196 /nfs/dbraw/zinc/83/61/96/1089836196.db2.gz VOEJWXSHPHXSRN-OAQYLSRUSA-N 2 2 364.537 4.232 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C[C@@H]1CCCO1)c1ccc(F)cc1)CCC2 ZINC000377817086 1089838396 /nfs/dbraw/zinc/83/83/96/1089838396.db2.gz PBBIKPDXIDXLEO-IHPCNDPISA-N 2 2 357.473 4.108 20 0 FIADLP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)s2)cc1 ZINC000182087632 1090040842 /nfs/dbraw/zinc/04/08/42/1090040842.db2.gz TWDBAWUFSQMGPD-QGZVFWFLSA-N 2 2 366.534 4.307 20 0 FIADLP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)s2)cc1 ZINC000182087632 1090040851 /nfs/dbraw/zinc/04/08/51/1090040851.db2.gz TWDBAWUFSQMGPD-QGZVFWFLSA-N 2 2 366.534 4.307 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000182091048 1090041848 /nfs/dbraw/zinc/04/18/48/1090041848.db2.gz NDQYSFMTYBXJLM-ZDUSSCGKSA-N 2 2 369.843 4.130 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000182091048 1090041859 /nfs/dbraw/zinc/04/18/59/1090041859.db2.gz NDQYSFMTYBXJLM-ZDUSSCGKSA-N 2 2 369.843 4.130 20 0 FIADLP COc1cccc(C2(F)CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000500152017 1091071255 /nfs/dbraw/zinc/07/12/55/1091071255.db2.gz GQVYANVGZRNCIQ-UHFFFAOYSA-N 2 2 365.452 4.342 20 0 FIADLP Fc1ccc([C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000390707982 1091420193 /nfs/dbraw/zinc/42/01/93/1091420193.db2.gz VWPBTBPYDAIVDY-PKTZIBPZSA-N 2 2 368.496 4.158 20 0 FIADLP Fc1ccc([C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000390707982 1091420196 /nfs/dbraw/zinc/42/01/96/1091420196.db2.gz VWPBTBPYDAIVDY-PKTZIBPZSA-N 2 2 368.496 4.158 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000511751892 1091616599 /nfs/dbraw/zinc/61/65/99/1091616599.db2.gz BCQYLWAOANJNQM-SMIHKQSGSA-N 2 2 373.500 4.185 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000511751892 1091616605 /nfs/dbraw/zinc/61/66/05/1091616605.db2.gz BCQYLWAOANJNQM-SMIHKQSGSA-N 2 2 373.500 4.185 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)c2ccc(OC(F)(F)F)cc2)s1 ZINC000511778845 1091674386 /nfs/dbraw/zinc/67/43/86/1091674386.db2.gz SHDUUEZBWNYRKV-UHFFFAOYSA-N 2 2 373.444 4.128 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000512214250 1091919650 /nfs/dbraw/zinc/91/96/50/1091919650.db2.gz VNXVXPVIKBFNIA-PXNSSMCTSA-N 2 2 360.590 4.341 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000512214250 1091919653 /nfs/dbraw/zinc/91/96/53/1091919653.db2.gz VNXVXPVIKBFNIA-PXNSSMCTSA-N 2 2 360.590 4.341 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512214250 1091919658 /nfs/dbraw/zinc/91/96/58/1091919658.db2.gz VNXVXPVIKBFNIA-PXNSSMCTSA-N 2 2 360.590 4.341 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512214250 1091919660 /nfs/dbraw/zinc/91/96/60/1091919660.db2.gz VNXVXPVIKBFNIA-PXNSSMCTSA-N 2 2 360.590 4.341 20 0 FIADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512236289 1091944633 /nfs/dbraw/zinc/94/46/33/1091944633.db2.gz GJJOHFLJARPCAI-FDDCHVKYSA-N 2 2 361.489 4.487 20 0 FIADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512236289 1091944638 /nfs/dbraw/zinc/94/46/38/1091944638.db2.gz GJJOHFLJARPCAI-FDDCHVKYSA-N 2 2 361.489 4.487 20 0 FIADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512236289 1091944642 /nfs/dbraw/zinc/94/46/42/1091944642.db2.gz GJJOHFLJARPCAI-FDDCHVKYSA-N 2 2 361.489 4.487 20 0 FIADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512236289 1091944645 /nfs/dbraw/zinc/94/46/45/1091944645.db2.gz GJJOHFLJARPCAI-FDDCHVKYSA-N 2 2 361.489 4.487 20 0 FIADLP Clc1cc(Br)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000512379819 1092193300 /nfs/dbraw/zinc/19/33/00/1092193300.db2.gz PTWXLTCGLJUWIV-UHFFFAOYSA-N 2 2 354.679 4.205 20 0 FIADLP CCCc1nc(C)c(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)o1 ZINC000428236548 1092291467 /nfs/dbraw/zinc/29/14/67/1092291467.db2.gz KLPODZVGNJHQCY-UHFFFAOYSA-N 2 2 356.514 4.069 20 0 FIADLP CCCc1nc(C)c(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)o1 ZINC000428236548 1092291477 /nfs/dbraw/zinc/29/14/77/1092291477.db2.gz KLPODZVGNJHQCY-UHFFFAOYSA-N 2 2 356.514 4.069 20 0 FIADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)cc2)c[nH+]1 ZINC000152111628 1093004802 /nfs/dbraw/zinc/00/48/02/1093004802.db2.gz RNTDRZOGGFTSPD-OAQYLSRUSA-N 2 2 359.473 4.468 20 0 FIADLP CCC[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccsc1 ZINC000191222480 1093119841 /nfs/dbraw/zinc/11/98/41/1093119841.db2.gz ZUYKOKWBBKOCQW-OAQYLSRUSA-N 2 2 374.550 4.090 20 0 FIADLP Nc1cccc2c1cc[nH+]c2N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000663937044 1093147673 /nfs/dbraw/zinc/14/76/73/1093147673.db2.gz VYIWBTUCVWCLOZ-UHFFFAOYSA-N 2 2 372.516 4.310 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cccc(Cl)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168018136 1093164036 /nfs/dbraw/zinc/16/40/36/1093164036.db2.gz BTBONRNAFDYIRU-YVCBRDFCSA-N 2 2 372.940 4.405 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cccc(Cl)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018136 1093164043 /nfs/dbraw/zinc/16/40/43/1093164043.db2.gz BTBONRNAFDYIRU-YVCBRDFCSA-N 2 2 372.940 4.405 20 0 FIADLP C[C@H]1CC([NH2+][C@@H](CO)c2cccc(Cl)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168018133 1093164774 /nfs/dbraw/zinc/16/47/74/1093164774.db2.gz BTBONRNAFDYIRU-HOIFWPIMSA-N 2 2 372.940 4.405 20 0 FIADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CCC(F)(F)CC1 ZINC000474072952 1093187257 /nfs/dbraw/zinc/18/72/57/1093187257.db2.gz LMUNDFHFFJKRCB-SFHVURJKSA-N 2 2 365.512 4.002 20 0 FIADLP CC[N@@H+](Cc1cc(C(C)(C)C)on1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000429678742 1093207373 /nfs/dbraw/zinc/20/73/73/1093207373.db2.gz CSSQMHPAOHAKGG-UHFFFAOYSA-N 2 2 356.514 4.106 20 0 FIADLP CC[N@H+](Cc1cc(C(C)(C)C)on1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000429678742 1093207378 /nfs/dbraw/zinc/20/73/78/1093207378.db2.gz CSSQMHPAOHAKGG-UHFFFAOYSA-N 2 2 356.514 4.106 20 0 FIADLP COc1cc(-c2ccccc2)ccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000512777206 1093327458 /nfs/dbraw/zinc/32/74/58/1093327458.db2.gz AYHQFLNKOHADLN-UHFFFAOYSA-N 2 2 350.506 4.422 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C[C@H]1C ZINC000443623549 1093344041 /nfs/dbraw/zinc/34/40/41/1093344041.db2.gz PURMMEJMIAMNBI-OXQOHEQNSA-N 2 2 372.944 4.410 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C[C@H]1C ZINC000443623549 1093344049 /nfs/dbraw/zinc/34/40/49/1093344049.db2.gz PURMMEJMIAMNBI-OXQOHEQNSA-N 2 2 372.944 4.410 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C[C@H]1C ZINC000443623549 1093344056 /nfs/dbraw/zinc/34/40/56/1093344056.db2.gz PURMMEJMIAMNBI-OXQOHEQNSA-N 2 2 372.944 4.410 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C[C@H]1C ZINC000443623549 1093344064 /nfs/dbraw/zinc/34/40/64/1093344064.db2.gz PURMMEJMIAMNBI-OXQOHEQNSA-N 2 2 372.944 4.410 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2COCc3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168025870 1093441787 /nfs/dbraw/zinc/44/17/87/1093441787.db2.gz KDZWUWICMYUGNL-NNTZPNAXSA-N 2 2 350.506 4.289 20 0 FIADLP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(F)c1 ZINC001168030804 1093596049 /nfs/dbraw/zinc/59/60/49/1093596049.db2.gz XQXSSVCUKHFYTG-XEMDLRDOSA-N 2 2 356.485 4.366 20 0 FIADLP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c(F)c1 ZINC001168030804 1093596058 /nfs/dbraw/zinc/59/60/58/1093596058.db2.gz XQXSSVCUKHFYTG-XEMDLRDOSA-N 2 2 356.485 4.366 20 0 FIADLP CC1(C)OCc2cc(C[NH2+][C@@H](Cn3cc[nH+]c3)c3ccccc3)ccc2O1 ZINC000895705626 1093677022 /nfs/dbraw/zinc/67/70/22/1093677022.db2.gz DGXNTHNKBFCLHT-FQEVSTJZSA-N 2 2 363.461 4.059 20 0 FIADLP Cc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(Br)c1 ZINC000513039111 1093688154 /nfs/dbraw/zinc/68/81/54/1093688154.db2.gz WTWRGYMXMQNTEA-UHFFFAOYSA-N 2 2 370.294 4.292 20 0 FIADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000513081381 1093783709 /nfs/dbraw/zinc/78/37/09/1093783709.db2.gz GAZJIVBWSXZMOZ-DUXKGJEZSA-N 2 2 367.518 4.375 20 0 FIADLP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)nc(-c2ccc(Cl)cc2)n1 ZINC000513134527 1093880761 /nfs/dbraw/zinc/88/07/61/1093880761.db2.gz ZBHYYKIKSFPKHM-YOFSQIOKSA-N 2 2 370.928 4.162 20 0 FIADLP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)nc(-c2ccc(Cl)cc2)n1 ZINC000513134527 1093880765 /nfs/dbraw/zinc/88/07/65/1093880765.db2.gz ZBHYYKIKSFPKHM-YOFSQIOKSA-N 2 2 370.928 4.162 20 0 FIADLP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(-c2ccc(Cl)cc2)n1 ZINC000513134527 1093880772 /nfs/dbraw/zinc/88/07/72/1093880772.db2.gz ZBHYYKIKSFPKHM-YOFSQIOKSA-N 2 2 370.928 4.162 20 0 FIADLP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(-c2ccc(Cl)cc2)n1 ZINC000513134527 1093880775 /nfs/dbraw/zinc/88/07/75/1093880775.db2.gz ZBHYYKIKSFPKHM-YOFSQIOKSA-N 2 2 370.928 4.162 20 0 FIADLP Clc1ccc2[nH+]ccc(NCCc3[nH+]ccn3Cc3ccccc3)c2c1 ZINC000513601918 1094233643 /nfs/dbraw/zinc/23/36/43/1094233643.db2.gz BBEYITRMRHZUQZ-UHFFFAOYSA-N 2 2 362.864 4.210 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H]1c1cnn(C)c1 ZINC000434018602 1094240545 /nfs/dbraw/zinc/24/05/45/1094240545.db2.gz PYZAELMMTJFSEV-XBDGOBDMSA-N 2 2 370.541 4.042 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H]1c1cnn(C)c1 ZINC000434018602 1094240549 /nfs/dbraw/zinc/24/05/49/1094240549.db2.gz PYZAELMMTJFSEV-XBDGOBDMSA-N 2 2 370.541 4.042 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H]1c1cnn(C)c1 ZINC000434018602 1094240552 /nfs/dbraw/zinc/24/05/52/1094240552.db2.gz PYZAELMMTJFSEV-XBDGOBDMSA-N 2 2 370.541 4.042 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H]1c1cnn(C)c1 ZINC000434018602 1094240557 /nfs/dbraw/zinc/24/05/57/1094240557.db2.gz PYZAELMMTJFSEV-XBDGOBDMSA-N 2 2 370.541 4.042 20 0 FIADLP CC[N@H+](Cc1cnc(C)s1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000501216501 1094563008 /nfs/dbraw/zinc/56/30/08/1094563008.db2.gz HIYGYJWXOMEXRP-UHFFFAOYSA-N 2 2 373.570 4.164 20 0 FIADLP CC[N@@H+](Cc1cnc(C)s1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000501216501 1094563020 /nfs/dbraw/zinc/56/30/20/1094563020.db2.gz HIYGYJWXOMEXRP-UHFFFAOYSA-N 2 2 373.570 4.164 20 0 FIADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000501464291 1094721362 /nfs/dbraw/zinc/72/13/62/1094721362.db2.gz ZANGSOQOOCBDDP-OOXMNIKJSA-N 2 2 358.473 4.136 20 0 FIADLP Clc1ccccc1-c1csc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420378001 1094905871 /nfs/dbraw/zinc/90/58/71/1094905871.db2.gz AWGYTQIBDABVLI-KSSFIOAISA-N 2 2 361.942 4.428 20 0 FIADLP Clc1ccccc1-c1csc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420378001 1094905878 /nfs/dbraw/zinc/90/58/78/1094905878.db2.gz AWGYTQIBDABVLI-KSSFIOAISA-N 2 2 361.942 4.428 20 0 FIADLP Cc1nc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)oc1-c1ccc(Cl)cc1 ZINC000420394356 1094910523 /nfs/dbraw/zinc/91/05/23/1094910523.db2.gz KHPCRCUQPVUUKM-AEFFLSMTSA-N 2 2 359.901 4.267 20 0 FIADLP Cc1nc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)oc1-c1ccc(Cl)cc1 ZINC000420394356 1094910530 /nfs/dbraw/zinc/91/05/30/1094910530.db2.gz KHPCRCUQPVUUKM-AEFFLSMTSA-N 2 2 359.901 4.267 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3ccc(OCC4CC4)cc3)C2)n2c1CCCC2 ZINC000502324079 1095349060 /nfs/dbraw/zinc/34/90/60/1095349060.db2.gz AGGMBEROILZSFM-FQEVSTJZSA-N 2 2 365.521 4.388 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3ccc(OCC4CC4)cc3)C2)n2c1CCCC2 ZINC000502324079 1095349078 /nfs/dbraw/zinc/34/90/78/1095349078.db2.gz AGGMBEROILZSFM-FQEVSTJZSA-N 2 2 365.521 4.388 20 0 FIADLP Brc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502312047 1095360320 /nfs/dbraw/zinc/36/03/20/1095360320.db2.gz PINGPZTVXDBBQZ-INIZCTEOSA-N 2 2 374.326 4.362 20 0 FIADLP Brc1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502312047 1095360334 /nfs/dbraw/zinc/36/03/34/1095360334.db2.gz PINGPZTVXDBBQZ-INIZCTEOSA-N 2 2 374.326 4.362 20 0 FIADLP Fc1cccc2[nH]c(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc21 ZINC000502326739 1095362861 /nfs/dbraw/zinc/36/28/61/1095362861.db2.gz ORSOHVROHRSPIV-OAHLLOKOSA-N 2 2 352.457 4.219 20 0 FIADLP Fc1cccc2[nH]c(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc21 ZINC000502326739 1095362878 /nfs/dbraw/zinc/36/28/78/1095362878.db2.gz ORSOHVROHRSPIV-OAHLLOKOSA-N 2 2 352.457 4.219 20 0 FIADLP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502345080 1095382392 /nfs/dbraw/zinc/38/23/92/1095382392.db2.gz XKSMYFKYRCCQLK-HKUYNNGSSA-N 2 2 353.510 4.211 20 0 FIADLP COc1ccc([C@@H](C)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502345080 1095382411 /nfs/dbraw/zinc/38/24/11/1095382411.db2.gz XKSMYFKYRCCQLK-HKUYNNGSSA-N 2 2 353.510 4.211 20 0 FIADLP Fc1ccc2cc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)[nH]c2c1 ZINC000502346653 1095385179 /nfs/dbraw/zinc/38/51/79/1095385179.db2.gz QHKKUGSHLPDGIU-MRXNPFEDSA-N 2 2 352.457 4.219 20 0 FIADLP Fc1ccc2cc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)[nH]c2c1 ZINC000502346653 1095385192 /nfs/dbraw/zinc/38/51/92/1095385192.db2.gz QHKKUGSHLPDGIU-MRXNPFEDSA-N 2 2 352.457 4.219 20 0 FIADLP c1nc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)oc1-c1ccccc1 ZINC000281931741 1095753384 /nfs/dbraw/zinc/75/33/84/1095753384.db2.gz DKSBTFLLUCRXJW-GOSISDBHSA-N 2 2 362.477 4.254 20 0 FIADLP c1nc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)oc1-c1ccccc1 ZINC000281931741 1095753399 /nfs/dbraw/zinc/75/33/99/1095753399.db2.gz DKSBTFLLUCRXJW-GOSISDBHSA-N 2 2 362.477 4.254 20 0 FIADLP COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000502724568 1095760155 /nfs/dbraw/zinc/76/01/55/1095760155.db2.gz QKRMQJRUYYYVEY-DOTOQJQBSA-N 2 2 367.331 4.079 20 0 FIADLP COc1ccc(Br)cc1[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000502724568 1095760174 /nfs/dbraw/zinc/76/01/74/1095760174.db2.gz QKRMQJRUYYYVEY-DOTOQJQBSA-N 2 2 367.331 4.079 20 0 FIADLP COc1ccc(Br)cc1[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000502724568 1095760185 /nfs/dbraw/zinc/76/01/85/1095760185.db2.gz QKRMQJRUYYYVEY-DOTOQJQBSA-N 2 2 367.331 4.079 20 0 FIADLP COc1ccc(Br)cc1[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000502724568 1095760202 /nfs/dbraw/zinc/76/02/02/1095760202.db2.gz QKRMQJRUYYYVEY-DOTOQJQBSA-N 2 2 367.331 4.079 20 0 FIADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000421819531 1095933433 /nfs/dbraw/zinc/93/34/33/1095933433.db2.gz HPFHBLQNLBHUBQ-HNNXBMFYSA-N 2 2 355.869 4.444 20 0 FIADLP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cnc21 ZINC000103229129 1095951771 /nfs/dbraw/zinc/95/17/71/1095951771.db2.gz DRHTWFYURDGFDN-LJQANCHMSA-N 2 2 369.557 4.100 20 0 FIADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cnc21 ZINC000103229129 1095951773 /nfs/dbraw/zinc/95/17/73/1095951773.db2.gz DRHTWFYURDGFDN-LJQANCHMSA-N 2 2 369.557 4.100 20 0 FIADLP CO[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000272503095 1096186249 /nfs/dbraw/zinc/18/62/49/1096186249.db2.gz DZOUTSMZDSYZPH-INIZCTEOSA-N 2 2 364.839 4.034 20 0 FIADLP Fc1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)cc1 ZINC000273557038 1096273675 /nfs/dbraw/zinc/27/36/75/1096273675.db2.gz ZSBHLLXQXDEWQK-PZJWPPBQSA-N 2 2 351.425 4.021 20 0 FIADLP CC(C)(C)c1csc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000503369967 1096370382 /nfs/dbraw/zinc/37/03/82/1096370382.db2.gz CQUFCRMEJYLYCQ-OAHLLOKOSA-N 2 2 358.555 4.353 20 0 FIADLP CC(C)(C)c1csc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000503369967 1096370387 /nfs/dbraw/zinc/37/03/87/1096370387.db2.gz CQUFCRMEJYLYCQ-OAHLLOKOSA-N 2 2 358.555 4.353 20 0 FIADLP C[NH2+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)CC1 ZINC000414670436 1096403980 /nfs/dbraw/zinc/40/39/80/1096403980.db2.gz KSPNWNXTZGCKIS-UHFFFAOYSA-N 2 2 360.505 4.032 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422641314 1096434423 /nfs/dbraw/zinc/43/44/23/1096434423.db2.gz XOKUNOVEIRGFGJ-BZSNNMDCSA-N 2 2 359.558 4.177 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422641314 1096434426 /nfs/dbraw/zinc/43/44/26/1096434426.db2.gz XOKUNOVEIRGFGJ-BZSNNMDCSA-N 2 2 359.558 4.177 20 0 FIADLP CCC(CC)(C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)[NH2+][C@H](C)c1ccccc1 ZINC000422772635 1096487692 /nfs/dbraw/zinc/48/76/92/1096487692.db2.gz XHRNQRNPOJVJHL-QZTJIDSGSA-N 3 2 368.569 4.409 20 0 FIADLP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(OCC(F)(F)F)c1 ZINC000422859989 1096507438 /nfs/dbraw/zinc/50/74/38/1096507438.db2.gz HSWBGEIHCCYGIX-SJORKVTESA-N 2 2 350.384 4.171 20 0 FIADLP COCc1nc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c(-c2ccccc2)s1 ZINC000423097137 1096574111 /nfs/dbraw/zinc/57/41/11/1096574111.db2.gz IVZNPTSYDNLFBV-WMZOPIPTSA-N 2 2 373.566 4.357 20 0 FIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000423114746 1096576956 /nfs/dbraw/zinc/57/69/56/1096576956.db2.gz WFEMXUPTHNBART-SQNIBIBYSA-N 2 2 351.277 4.151 20 0 FIADLP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1Br ZINC000423185562 1096597245 /nfs/dbraw/zinc/59/72/45/1096597245.db2.gz JOMFCQNMDILGLX-SFHVURJKSA-N 2 2 362.315 4.065 20 0 FIADLP c1cn(CCCC2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)c[nH+]1 ZINC000425431799 1098595152 /nfs/dbraw/zinc/59/51/52/1098595152.db2.gz ACYBUROLFGPKPG-UHFFFAOYSA-N 2 2 361.493 4.033 20 0 FIADLP COCC[N@H+](C)CC[C@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)c1ccccc1 ZINC000436226175 1098834727 /nfs/dbraw/zinc/83/47/27/1098834727.db2.gz HCSJCQKFRZDIER-NRFANRHFSA-N 2 2 369.484 4.106 20 0 FIADLP COCC[N@@H+](C)CC[C@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)c1ccccc1 ZINC000436226175 1098834740 /nfs/dbraw/zinc/83/47/40/1098834740.db2.gz HCSJCQKFRZDIER-NRFANRHFSA-N 2 2 369.484 4.106 20 0 FIADLP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533289667 1098938625 /nfs/dbraw/zinc/93/86/25/1098938625.db2.gz USSQPTZBYCEAQK-MRXNPFEDSA-N 2 2 372.534 4.138 20 0 FIADLP COC(=O)c1sc2ccccc2c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533289667 1098938627 /nfs/dbraw/zinc/93/86/27/1098938627.db2.gz USSQPTZBYCEAQK-MRXNPFEDSA-N 2 2 372.534 4.138 20 0 FIADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000436494130 1099057427 /nfs/dbraw/zinc/05/74/27/1099057427.db2.gz MSPSUJCQTPHZHK-UHFFFAOYSA-N 2 2 374.554 4.444 20 0 FIADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Cl)cc1Br ZINC000533539157 1099148041 /nfs/dbraw/zinc/14/80/41/1099148041.db2.gz BIFUNLVMQVNVGN-UHFFFAOYSA-N 2 2 356.695 4.130 20 0 FIADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Cl)cc1Br ZINC000533539157 1099148051 /nfs/dbraw/zinc/14/80/51/1099148051.db2.gz BIFUNLVMQVNVGN-UHFFFAOYSA-N 2 2 356.695 4.130 20 0 FIADLP Cc1cc(C)c(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c(C)[nH+]1 ZINC000455471504 1099243119 /nfs/dbraw/zinc/24/31/19/1099243119.db2.gz IUOWLYZIEOOEFW-MRXNPFEDSA-N 2 2 358.511 4.027 20 0 FIADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455460342 1099254616 /nfs/dbraw/zinc/25/46/16/1099254616.db2.gz AVVHPUDLBCPEJK-UHFFFAOYSA-N 2 2 354.498 4.122 20 0 FIADLP Cc1cc(C)c(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c(C)[nH+]1 ZINC000455491551 1099274401 /nfs/dbraw/zinc/27/44/01/1099274401.db2.gz YICWNYRTHABEPI-UHFFFAOYSA-N 2 2 354.498 4.169 20 0 FIADLP Cc1cc(C)c(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c(C)[nH+]1 ZINC000455491551 1099274411 /nfs/dbraw/zinc/27/44/11/1099274411.db2.gz YICWNYRTHABEPI-UHFFFAOYSA-N 2 2 354.498 4.169 20 0 FIADLP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455501339 1099282908 /nfs/dbraw/zinc/28/29/08/1099282908.db2.gz UJPNEQITJPPQSJ-UHFFFAOYSA-N 2 2 374.451 4.135 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000246872030 1099376717 /nfs/dbraw/zinc/37/67/17/1099376717.db2.gz DNEKDEMXSSHRLO-NSISKUIASA-N 2 2 353.535 4.119 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000246872030 1099376727 /nfs/dbraw/zinc/37/67/27/1099376727.db2.gz DNEKDEMXSSHRLO-NSISKUIASA-N 2 2 353.535 4.119 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000161594148 1099516552 /nfs/dbraw/zinc/51/65/52/1099516552.db2.gz PCLNNGMTQLGYMA-UWJYYQICSA-N 2 2 369.940 4.267 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000161594148 1099516561 /nfs/dbraw/zinc/51/65/61/1099516561.db2.gz PCLNNGMTQLGYMA-UWJYYQICSA-N 2 2 369.940 4.267 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000162709827 1099963883 /nfs/dbraw/zinc/96/38/83/1099963883.db2.gz YKEVLPFYVWOUTL-REWPJTCUSA-N 2 2 373.585 4.401 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000162709827 1099963887 /nfs/dbraw/zinc/96/38/87/1099963887.db2.gz YKEVLPFYVWOUTL-REWPJTCUSA-N 2 2 373.585 4.401 20 0 FIADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000536730425 1100239219 /nfs/dbraw/zinc/23/92/19/1100239219.db2.gz GYUVSSUIBBCFLW-KSSFIOAISA-N 2 2 351.332 4.100 20 0 FIADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000536730425 1100239224 /nfs/dbraw/zinc/23/92/24/1100239224.db2.gz GYUVSSUIBBCFLW-KSSFIOAISA-N 2 2 351.332 4.100 20 0 FIADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000536730425 1100239233 /nfs/dbraw/zinc/23/92/33/1100239233.db2.gz GYUVSSUIBBCFLW-KSSFIOAISA-N 2 2 351.332 4.100 20 0 FIADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000536730425 1100239238 /nfs/dbraw/zinc/23/92/38/1100239238.db2.gz GYUVSSUIBBCFLW-KSSFIOAISA-N 2 2 351.332 4.100 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379631069 1100243841 /nfs/dbraw/zinc/24/38/41/1100243841.db2.gz QYEMOVKZDNYGFE-SIKLNZKXSA-N 2 2 360.505 4.015 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000379631069 1100243846 /nfs/dbraw/zinc/24/38/46/1100243846.db2.gz QYEMOVKZDNYGFE-SIKLNZKXSA-N 2 2 360.505 4.015 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379631067 1100244481 /nfs/dbraw/zinc/24/44/81/1100244481.db2.gz QYEMOVKZDNYGFE-DENIHFKCSA-N 2 2 360.505 4.015 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000379631067 1100244488 /nfs/dbraw/zinc/24/44/88/1100244488.db2.gz QYEMOVKZDNYGFE-DENIHFKCSA-N 2 2 360.505 4.015 20 0 FIADLP c1c(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)noc1-c1ccccc1 ZINC000425931933 1100305038 /nfs/dbraw/zinc/30/50/38/1100305038.db2.gz NNPRXZZWAJYDFJ-WWNPGLIZSA-N 2 2 373.500 4.342 20 0 FIADLP c1c(C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)noc1-c1ccccc1 ZINC000425931933 1100305049 /nfs/dbraw/zinc/30/50/49/1100305049.db2.gz NNPRXZZWAJYDFJ-WWNPGLIZSA-N 2 2 373.500 4.342 20 0 FIADLP Clc1ccc(CC2([NH2+]C3CCN(c4cccc[nH+]4)CC3)CCC2)cc1 ZINC000425953296 1100458493 /nfs/dbraw/zinc/45/84/93/1100458493.db2.gz JUYLBBPWHCGSPZ-UHFFFAOYSA-N 2 2 355.913 4.459 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(-c3ccccc3)no2)C1 ZINC000506475064 1101108245 /nfs/dbraw/zinc/10/82/45/1101108245.db2.gz RWPXPQOOUAKRGX-RBUKOAKNSA-N 2 2 353.510 4.428 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(-c3ccccc3)no2)C1 ZINC000506475064 1101108250 /nfs/dbraw/zinc/10/82/50/1101108250.db2.gz RWPXPQOOUAKRGX-RBUKOAKNSA-N 2 2 353.510 4.428 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000506475064 1101108254 /nfs/dbraw/zinc/10/82/54/1101108254.db2.gz RWPXPQOOUAKRGX-RBUKOAKNSA-N 2 2 353.510 4.428 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000506475064 1101108258 /nfs/dbraw/zinc/10/82/58/1101108258.db2.gz RWPXPQOOUAKRGX-RBUKOAKNSA-N 2 2 353.510 4.428 20 0 FIADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000518400860 1101156939 /nfs/dbraw/zinc/15/69/39/1101156939.db2.gz RKRZWHRKZOTFIL-HNNXBMFYSA-N 2 2 353.416 4.396 20 0 FIADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000439275628 1101298914 /nfs/dbraw/zinc/29/89/14/1101298914.db2.gz LQRDXVWFQFCOKS-MRXNPFEDSA-N 2 2 351.332 4.113 20 0 FIADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000439275628 1101298919 /nfs/dbraw/zinc/29/89/19/1101298919.db2.gz LQRDXVWFQFCOKS-MRXNPFEDSA-N 2 2 351.332 4.113 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001167964326 1101349704 /nfs/dbraw/zinc/34/97/04/1101349704.db2.gz OXLPUZDLYCQICJ-NWAUJJNUSA-N 3 2 367.581 4.035 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001167964326 1101349715 /nfs/dbraw/zinc/34/97/15/1101349715.db2.gz OXLPUZDLYCQICJ-NWAUJJNUSA-N 3 2 367.581 4.035 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001167964326 1101349732 /nfs/dbraw/zinc/34/97/32/1101349732.db2.gz OXLPUZDLYCQICJ-NWAUJJNUSA-N 3 2 367.581 4.035 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001167964326 1101349746 /nfs/dbraw/zinc/34/97/46/1101349746.db2.gz OXLPUZDLYCQICJ-NWAUJJNUSA-N 3 2 367.581 4.035 20 0 FIADLP COc1ccc(CC[C@H](C)[NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)cc1O ZINC000426413694 1101517582 /nfs/dbraw/zinc/51/75/82/1101517582.db2.gz XUWBDZWGKZHYMQ-RXVVDRJESA-N 2 2 368.521 4.149 20 0 FIADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@H]3C[C@@H]3c3ccccc3)CCCC2)no1 ZINC000537305760 1101631005 /nfs/dbraw/zinc/63/10/05/1101631005.db2.gz JTWBTSUCMHNTCH-RTBURBONSA-N 2 2 368.525 4.074 20 0 FIADLP c1nc2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)ccc2[nH]1 ZINC000537629815 1102239905 /nfs/dbraw/zinc/23/99/05/1102239905.db2.gz GXGJSSABDYOPFT-QHCPKHFHSA-N 2 2 360.505 4.051 20 0 FIADLP c1nc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)ccc2[nH]1 ZINC000537629815 1102239920 /nfs/dbraw/zinc/23/99/20/1102239920.db2.gz GXGJSSABDYOPFT-QHCPKHFHSA-N 2 2 360.505 4.051 20 0 FIADLP c1nc2cc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)ccc2[nH]1 ZINC000537629815 1102239929 /nfs/dbraw/zinc/23/99/29/1102239929.db2.gz GXGJSSABDYOPFT-QHCPKHFHSA-N 2 2 360.505 4.051 20 0 FIADLP c1nc2cc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)ccc2[nH]1 ZINC000537629815 1102239938 /nfs/dbraw/zinc/23/99/38/1102239938.db2.gz GXGJSSABDYOPFT-QHCPKHFHSA-N 2 2 360.505 4.051 20 0 FIADLP c1nc2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc2[nH]1 ZINC000537629815 1102239945 /nfs/dbraw/zinc/23/99/45/1102239945.db2.gz GXGJSSABDYOPFT-QHCPKHFHSA-N 2 2 360.505 4.051 20 0 FIADLP c1nc2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc2[nH]1 ZINC000537629815 1102239953 /nfs/dbraw/zinc/23/99/53/1102239953.db2.gz GXGJSSABDYOPFT-QHCPKHFHSA-N 2 2 360.505 4.051 20 0 FIADLP c1nc2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)cc2[nH]1 ZINC000537629815 1102239962 /nfs/dbraw/zinc/23/99/62/1102239962.db2.gz GXGJSSABDYOPFT-QHCPKHFHSA-N 2 2 360.505 4.051 20 0 FIADLP c1nc2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cc2[nH]1 ZINC000537629815 1102239970 /nfs/dbraw/zinc/23/99/70/1102239970.db2.gz GXGJSSABDYOPFT-QHCPKHFHSA-N 2 2 360.505 4.051 20 0 FIADLP c1nc2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)ccc2[nH]1 ZINC000537629814 1102240761 /nfs/dbraw/zinc/24/07/61/1102240761.db2.gz GXGJSSABDYOPFT-HSZRJFAPSA-N 2 2 360.505 4.051 20 0 FIADLP c1nc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)ccc2[nH]1 ZINC000537629814 1102240769 /nfs/dbraw/zinc/24/07/69/1102240769.db2.gz GXGJSSABDYOPFT-HSZRJFAPSA-N 2 2 360.505 4.051 20 0 FIADLP c1nc2cc(C[NH+]3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)ccc2[nH]1 ZINC000537629814 1102240776 /nfs/dbraw/zinc/24/07/76/1102240776.db2.gz GXGJSSABDYOPFT-HSZRJFAPSA-N 2 2 360.505 4.051 20 0 FIADLP c1nc2cc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)ccc2[nH]1 ZINC000537629814 1102240786 /nfs/dbraw/zinc/24/07/86/1102240786.db2.gz GXGJSSABDYOPFT-HSZRJFAPSA-N 2 2 360.505 4.051 20 0 FIADLP c1nc2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc2[nH]1 ZINC000537629814 1102240794 /nfs/dbraw/zinc/24/07/94/1102240794.db2.gz GXGJSSABDYOPFT-HSZRJFAPSA-N 2 2 360.505 4.051 20 0 FIADLP c1nc2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc2[nH]1 ZINC000537629814 1102240798 /nfs/dbraw/zinc/24/07/98/1102240798.db2.gz GXGJSSABDYOPFT-HSZRJFAPSA-N 2 2 360.505 4.051 20 0 FIADLP c1nc2ccc(C[NH+]3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)cc2[nH]1 ZINC000537629814 1102240805 /nfs/dbraw/zinc/24/08/05/1102240805.db2.gz GXGJSSABDYOPFT-HSZRJFAPSA-N 2 2 360.505 4.051 20 0 FIADLP c1nc2ccc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cc2[nH]1 ZINC000537629814 1102240812 /nfs/dbraw/zinc/24/08/12/1102240812.db2.gz GXGJSSABDYOPFT-HSZRJFAPSA-N 2 2 360.505 4.051 20 0 FIADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000537630873 1102255408 /nfs/dbraw/zinc/25/54/08/1102255408.db2.gz GKTYGKUMKXUPTB-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000537630873 1102255421 /nfs/dbraw/zinc/25/54/21/1102255421.db2.gz GKTYGKUMKXUPTB-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000537630873 1102255436 /nfs/dbraw/zinc/25/54/36/1102255436.db2.gz GKTYGKUMKXUPTB-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000537630873 1102255450 /nfs/dbraw/zinc/25/54/50/1102255450.db2.gz GKTYGKUMKXUPTB-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP Cc1cnc([C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C2CC2)s1 ZINC000120925439 1102281607 /nfs/dbraw/zinc/28/16/07/1102281607.db2.gz SXZGMQDIWVWMHN-HXUWFJFHSA-N 2 2 373.541 4.338 20 0 FIADLP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)ccc1F ZINC000090667318 1102305545 /nfs/dbraw/zinc/30/55/45/1102305545.db2.gz YKOBLFYXMNFCDI-JKSUJKDBSA-N 2 2 357.473 4.106 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC000550797543 1102328335 /nfs/dbraw/zinc/32/83/35/1102328335.db2.gz RXVRJZKYRODOAK-FNHZYXHNSA-N 2 2 374.326 4.330 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC000550797543 1102328348 /nfs/dbraw/zinc/32/83/48/1102328348.db2.gz RXVRJZKYRODOAK-FNHZYXHNSA-N 2 2 374.326 4.330 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C[C@@H]1C ZINC000537635879 1102382891 /nfs/dbraw/zinc/38/28/91/1102382891.db2.gz CDMCMNKXNSYYNZ-AVRDEDQJSA-N 2 2 368.569 4.161 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C[C@@H]1C ZINC000537635879 1102382905 /nfs/dbraw/zinc/38/29/05/1102382905.db2.gz CDMCMNKXNSYYNZ-AVRDEDQJSA-N 2 2 368.569 4.161 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C[C@@H]1C ZINC000537635879 1102382915 /nfs/dbraw/zinc/38/29/15/1102382915.db2.gz CDMCMNKXNSYYNZ-AVRDEDQJSA-N 2 2 368.569 4.161 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C[C@@H]1C ZINC000537635879 1102382926 /nfs/dbraw/zinc/38/29/26/1102382926.db2.gz CDMCMNKXNSYYNZ-AVRDEDQJSA-N 2 2 368.569 4.161 20 0 FIADLP CCOc1ccccc1OCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440455207 1102509314 /nfs/dbraw/zinc/50/93/14/1102509314.db2.gz WFFXXLCGEQQARV-UHFFFAOYSA-N 2 2 368.521 4.061 20 0 FIADLP CCOc1ccccc1OCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440455207 1102509323 /nfs/dbraw/zinc/50/93/23/1102509323.db2.gz WFFXXLCGEQQARV-UHFFFAOYSA-N 2 2 368.521 4.061 20 0 FIADLP CC(=O)Nc1ccccc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318576 1102564759 /nfs/dbraw/zinc/56/47/59/1102564759.db2.gz VFTGRJXTRLOZMI-GCJKJVERSA-N 2 2 365.521 4.130 20 0 FIADLP CC(=O)Nc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318576 1102564766 /nfs/dbraw/zinc/56/47/66/1102564766.db2.gz VFTGRJXTRLOZMI-GCJKJVERSA-N 2 2 365.521 4.130 20 0 FIADLP CC(=O)Nc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318576 1102564770 /nfs/dbraw/zinc/56/47/70/1102564770.db2.gz VFTGRJXTRLOZMI-GCJKJVERSA-N 2 2 365.521 4.130 20 0 FIADLP CC(=O)Nc1ccccc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318576 1102564773 /nfs/dbraw/zinc/56/47/73/1102564773.db2.gz VFTGRJXTRLOZMI-GCJKJVERSA-N 2 2 365.521 4.130 20 0 FIADLP C[C@H](c1csnn1)[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664839324 1102740636 /nfs/dbraw/zinc/74/06/36/1102740636.db2.gz XFJSPMSDOXIIFL-OXQOHEQNSA-N 2 2 370.566 4.222 20 0 FIADLP C[C@H](c1csnn1)[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664839324 1102740645 /nfs/dbraw/zinc/74/06/45/1102740645.db2.gz XFJSPMSDOXIIFL-OXQOHEQNSA-N 2 2 370.566 4.222 20 0 FIADLP C[C@H](CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000551034750 1102823767 /nfs/dbraw/zinc/82/37/67/1102823767.db2.gz ONDWSQHSIROEJV-FGCOXFRFSA-N 3 2 365.565 4.322 20 0 FIADLP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000551034750 1102823781 /nfs/dbraw/zinc/82/37/81/1102823781.db2.gz ONDWSQHSIROEJV-FGCOXFRFSA-N 3 2 365.565 4.322 20 0 FIADLP C[C@H](CC[NH2+][C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000551034750 1102823795 /nfs/dbraw/zinc/82/37/95/1102823795.db2.gz ONDWSQHSIROEJV-FGCOXFRFSA-N 3 2 365.565 4.322 20 0 FIADLP C[C@H](CC[NH2+][C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000551034750 1102823810 /nfs/dbraw/zinc/82/38/10/1102823810.db2.gz ONDWSQHSIROEJV-FGCOXFRFSA-N 3 2 365.565 4.322 20 0 FIADLP Cc1cc(C[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc(C)c1OCc1ccccn1 ZINC000729680689 1103034233 /nfs/dbraw/zinc/03/42/33/1103034233.db2.gz OKCDFMBLZZOWQE-QFIPXVFZSA-N 2 2 369.553 4.343 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1cn2ccccc2n1 ZINC000551288701 1103048724 /nfs/dbraw/zinc/04/87/24/1103048724.db2.gz WDCRPGVNZZWBOT-GOSISDBHSA-N 2 2 374.488 4.410 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1cn2ccccc2n1 ZINC000551288701 1103048740 /nfs/dbraw/zinc/04/87/40/1103048740.db2.gz WDCRPGVNZZWBOT-GOSISDBHSA-N 2 2 374.488 4.410 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1cn2ccccc2n1 ZINC000551288702 1103049189 /nfs/dbraw/zinc/04/91/89/1103049189.db2.gz WDCRPGVNZZWBOT-SFHVURJKSA-N 2 2 374.488 4.410 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1cn2ccccc2n1 ZINC000551288702 1103049203 /nfs/dbraw/zinc/04/92/03/1103049203.db2.gz WDCRPGVNZZWBOT-SFHVURJKSA-N 2 2 374.488 4.410 20 0 FIADLP CC[N@@H+](Cc1ccn(C2CCCC2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000477282973 1103311604 /nfs/dbraw/zinc/31/16/04/1103311604.db2.gz QDTULCJPOQZKPC-UHFFFAOYSA-N 2 2 367.541 4.132 20 0 FIADLP CC[N@H+](Cc1ccn(C2CCCC2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000477282973 1103311617 /nfs/dbraw/zinc/31/16/17/1103311617.db2.gz QDTULCJPOQZKPC-UHFFFAOYSA-N 2 2 367.541 4.132 20 0 FIADLP CCc1ccc([C@H](COC)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000507461631 1103408093 /nfs/dbraw/zinc/40/80/93/1103408093.db2.gz MOTXNMVLJMNVHF-UVUJQTEASA-N 2 2 368.521 4.030 20 0 FIADLP CCc1ccc([C@H](COC)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000507461631 1103408105 /nfs/dbraw/zinc/40/81/05/1103408105.db2.gz MOTXNMVLJMNVHF-UVUJQTEASA-N 2 2 368.521 4.030 20 0 FIADLP CCOc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)n1 ZINC000519785376 1103870638 /nfs/dbraw/zinc/87/06/38/1103870638.db2.gz HLKLCDHRCURLST-UHFFFAOYSA-N 2 2 370.884 4.033 20 0 FIADLP CCOc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)n1 ZINC000519785376 1103870651 /nfs/dbraw/zinc/87/06/51/1103870651.db2.gz HLKLCDHRCURLST-UHFFFAOYSA-N 2 2 370.884 4.033 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000519831525 1103886962 /nfs/dbraw/zinc/88/69/62/1103886962.db2.gz XQEXVSVSSIKGQA-MJGOQNOKSA-N 2 2 357.542 4.134 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000519831525 1103886976 /nfs/dbraw/zinc/88/69/76/1103886976.db2.gz XQEXVSVSSIKGQA-MJGOQNOKSA-N 2 2 357.542 4.134 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]CCCCCOc2ccccc2)CC1 ZINC000188166795 1104055307 /nfs/dbraw/zinc/05/53/07/1104055307.db2.gz COFGMLCQSAAALM-FQEVSTJZSA-N 2 2 367.537 4.446 20 0 FIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cncc(C)c2)cc1 ZINC000189987925 1104870200 /nfs/dbraw/zinc/87/02/00/1104870200.db2.gz ZUCXZFJXXNPVFZ-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cncc(C)c2)cc1 ZINC000189987925 1104870213 /nfs/dbraw/zinc/87/02/13/1104870213.db2.gz ZUCXZFJXXNPVFZ-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000237180531 1104967746 /nfs/dbraw/zinc/96/77/46/1104967746.db2.gz PKBAGUVELBVIBF-ZDUSSCGKSA-N 2 2 367.971 4.379 20 0 FIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000237180531 1104967747 /nfs/dbraw/zinc/96/77/47/1104967747.db2.gz PKBAGUVELBVIBF-ZDUSSCGKSA-N 2 2 367.971 4.379 20 0 FIADLP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CCC2 ZINC000427719607 1105257283 /nfs/dbraw/zinc/25/72/83/1105257283.db2.gz CHSUKHAXOCWCFC-SFHVURJKSA-N 2 2 372.394 4.453 20 0 FIADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000427847346 1105293887 /nfs/dbraw/zinc/29/38/87/1105293887.db2.gz KBGZJWOKLQAJDQ-BEFAXECRSA-N 2 2 374.960 4.359 20 0 FIADLP Fc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2Cl)cc1 ZINC000427882710 1105309739 /nfs/dbraw/zinc/30/97/39/1105309739.db2.gz AMAYWIWNGSAAQK-OXJNMPFZSA-N 2 2 355.844 4.370 20 0 FIADLP COc1cc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)ccc1SC ZINC000665250302 1105334378 /nfs/dbraw/zinc/33/43/78/1105334378.db2.gz NOIGCUQKRSVCIG-ATZDWAIDSA-N 2 2 356.535 4.213 20 0 FIADLP COC(=O)c1ccccc1C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168010917 1105343170 /nfs/dbraw/zinc/34/31/70/1105343170.db2.gz LHBIJFDSVRWPMU-ROUUACIJSA-N 2 2 366.505 4.004 20 0 FIADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2c(F)ccc(O)c2F)CC1 ZINC000508177735 1105349537 /nfs/dbraw/zinc/34/95/37/1105349537.db2.gz DWLPTJZJTJDVML-UHFFFAOYSA-N 2 2 360.448 4.014 20 0 FIADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2c(F)ccc(O)c2F)CC1 ZINC000508177735 1105349544 /nfs/dbraw/zinc/34/95/44/1105349544.db2.gz DWLPTJZJTJDVML-UHFFFAOYSA-N 2 2 360.448 4.014 20 0 FIADLP Cc1cc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)nc(C(C)C)[nH+]1 ZINC000301535110 1107061790 /nfs/dbraw/zinc/06/17/90/1107061790.db2.gz AGSGNPGIIQWPJK-SFHVURJKSA-N 2 2 368.525 4.220 20 0 FIADLP Cc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301624025 1107091686 /nfs/dbraw/zinc/09/16/86/1107091686.db2.gz FSQALGVHPADDOX-MRXNPFEDSA-N 2 2 371.387 4.197 20 0 FIADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000530529669 1107118025 /nfs/dbraw/zinc/11/80/25/1107118025.db2.gz COTFNRLFNMWIBH-ODIFPOPNSA-N 2 2 370.459 4.460 20 0 FIADLP Brc1ccc2[nH+]ccc(NCCc3cn4c([nH+]3)CCCC4)c2c1 ZINC000302668923 1107403402 /nfs/dbraw/zinc/40/34/02/1107403402.db2.gz NGWYEABNIVORIF-UHFFFAOYSA-N 2 2 371.282 4.185 20 0 FIADLP Brc1ccc2c(NCCc3cn4c([nH+]3)CCCC4)cc[nH+]c2c1 ZINC000302699188 1107411342 /nfs/dbraw/zinc/41/13/42/1107411342.db2.gz XAYFIRUPVGUAFO-UHFFFAOYSA-N 2 2 371.282 4.185 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000444657373 1108051874 /nfs/dbraw/zinc/05/18/74/1108051874.db2.gz CGWVFXINBCYBNX-MRXNPFEDSA-N 2 2 358.555 4.379 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000444657373 1108051889 /nfs/dbraw/zinc/05/18/89/1108051889.db2.gz CGWVFXINBCYBNX-MRXNPFEDSA-N 2 2 358.555 4.379 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531686608 1108074350 /nfs/dbraw/zinc/07/43/50/1108074350.db2.gz SJAGMFZQLZTWLY-XXBNENTESA-N 2 2 365.565 4.422 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531686608 1108074365 /nfs/dbraw/zinc/07/43/65/1108074365.db2.gz SJAGMFZQLZTWLY-XXBNENTESA-N 2 2 365.565 4.422 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(Br)ccc1Cl)CCC2 ZINC000531759227 1108145898 /nfs/dbraw/zinc/14/58/98/1108145898.db2.gz KRQUQMMQRYEHIU-LBPRGKRZSA-N 2 2 368.706 4.275 20 0 FIADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CC([NH+]4CCCCC4)C3)[C@@H]3CCC[C@H]32)cc1 ZINC000453220881 1108291968 /nfs/dbraw/zinc/29/19/68/1108291968.db2.gz PKMMWUFFTDZDES-NSABXRQASA-N 3 2 367.581 4.036 20 0 FIADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC([NH+]4CCCCC4)C3)[C@@H]3CCC[C@H]32)cc1 ZINC000453220881 1108291975 /nfs/dbraw/zinc/29/19/75/1108291975.db2.gz PKMMWUFFTDZDES-NSABXRQASA-N 3 2 367.581 4.036 20 0 FIADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000453239019 1108314291 /nfs/dbraw/zinc/31/42/91/1108314291.db2.gz RDMYOXQAEUOPCS-AWEZNQCLSA-N 2 2 369.852 4.148 20 0 FIADLP Cc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)CC2)c(C)c1 ZINC000453238693 1108315766 /nfs/dbraw/zinc/31/57/66/1108315766.db2.gz AGCHDRNOALSXDQ-NFBKMPQASA-N 2 2 363.549 4.230 20 0 FIADLP Cc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)CC2)c(C)c1 ZINC000453238693 1108315784 /nfs/dbraw/zinc/31/57/84/1108315784.db2.gz AGCHDRNOALSXDQ-NFBKMPQASA-N 2 2 363.549 4.230 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453250748 1108323737 /nfs/dbraw/zinc/32/37/37/1108323737.db2.gz YXNSIOYEABEDOD-UJUVCNOISA-N 2 2 371.475 4.237 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453250748 1108323751 /nfs/dbraw/zinc/32/37/51/1108323751.db2.gz YXNSIOYEABEDOD-UJUVCNOISA-N 2 2 371.475 4.237 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453253438 1108326478 /nfs/dbraw/zinc/32/64/78/1108326478.db2.gz IERMHWUNLHHKNL-ZHRRBRCNSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453253438 1108326493 /nfs/dbraw/zinc/32/64/93/1108326493.db2.gz IERMHWUNLHHKNL-ZHRRBRCNSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000453258146 1108331266 /nfs/dbraw/zinc/33/12/66/1108331266.db2.gz AFNGRPMWNFOJTE-QAPCUYQASA-N 2 2 363.427 4.101 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000453258146 1108331283 /nfs/dbraw/zinc/33/12/83/1108331283.db2.gz AFNGRPMWNFOJTE-QAPCUYQASA-N 2 2 363.427 4.101 20 0 FIADLP CC(=O)Nc1ccc([C@H](C)[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)cc1 ZINC000453305320 1108392984 /nfs/dbraw/zinc/39/29/84/1108392984.db2.gz QVFPNYISCMVJBV-SFHVURJKSA-N 2 2 365.521 4.350 20 0 FIADLP CC(=O)Nc1ccc([C@H](C)[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)cc1 ZINC000453305320 1108393002 /nfs/dbraw/zinc/39/30/02/1108393002.db2.gz QVFPNYISCMVJBV-SFHVURJKSA-N 2 2 365.521 4.350 20 0 FIADLP CC[NH+](CC)[C@H](CNC1CC[NH+](CC2CC2)CC1)c1ccccc1Cl ZINC000531932674 1108404382 /nfs/dbraw/zinc/40/43/82/1108404382.db2.gz SBSFMHHYSGTEHL-OAQYLSRUSA-N 2 2 363.977 4.187 20 0 FIADLP c1nc(C2CC2)oc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453366412 1108482742 /nfs/dbraw/zinc/48/27/42/1108482742.db2.gz RSFPVRPQIZZBQZ-HKBOAZHASA-N 2 2 351.494 4.085 20 0 FIADLP c1nc(C2CC2)oc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453366412 1108482745 /nfs/dbraw/zinc/48/27/45/1108482745.db2.gz RSFPVRPQIZZBQZ-HKBOAZHASA-N 2 2 351.494 4.085 20 0 FIADLP Cc1cc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)nc(C2CC2)[nH+]1 ZINC000523872954 1108622882 /nfs/dbraw/zinc/62/28/82/1108622882.db2.gz WHVJFNSKVIJLTI-QGZVFWFLSA-N 2 2 350.510 4.071 20 0 FIADLP Cc1cc(NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)nc(C2CC2)[nH+]1 ZINC000523872954 1108622891 /nfs/dbraw/zinc/62/28/91/1108622891.db2.gz WHVJFNSKVIJLTI-QGZVFWFLSA-N 2 2 350.510 4.071 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ncc(C(F)(F)F)cc1Cl ZINC000925167466 1108659442 /nfs/dbraw/zinc/65/94/42/1108659442.db2.gz CJTYKZQGNRFRQH-WDEREUQCSA-N 2 2 358.795 4.179 20 0 FIADLP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000360077268 1108835645 /nfs/dbraw/zinc/83/56/45/1108835645.db2.gz BSUBAMZAXDXGCP-KGLIPLIRSA-N 2 2 363.889 4.090 20 0 FIADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000525182003 1109293800 /nfs/dbraw/zinc/29/38/00/1109293800.db2.gz PEQJRFKHCJAWAZ-LBPRGKRZSA-N 2 2 354.281 4.174 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(-c3ccc(C)cc3)s1)CCC2 ZINC000525181772 1109293838 /nfs/dbraw/zinc/29/38/38/1109293838.db2.gz NPIQOEADDDRYHO-QGZVFWFLSA-N 2 2 352.507 4.291 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1)CCC2 ZINC000525181640 1109293852 /nfs/dbraw/zinc/29/38/52/1109293852.db2.gz CMKWQKNLLIZRSV-ZDUSSCGKSA-N 2 2 355.816 4.114 20 0 FIADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000525267148 1109324762 /nfs/dbraw/zinc/32/47/62/1109324762.db2.gz IITBRVSEIXULCI-NVXWUHKLSA-N 2 2 370.368 4.155 20 0 FIADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000525267148 1109324768 /nfs/dbraw/zinc/32/47/68/1109324768.db2.gz IITBRVSEIXULCI-NVXWUHKLSA-N 2 2 370.368 4.155 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1F)CCC2 ZINC000446823067 1109350380 /nfs/dbraw/zinc/35/03/80/1109350380.db2.gz IHDCRQMKYPESNU-QWHCGFSZSA-N 2 2 366.278 4.321 20 0 FIADLP Cc1ccccc1C[C@H](C)[NH+](C)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000447084974 1109431574 /nfs/dbraw/zinc/43/15/74/1109431574.db2.gz GXXFIFKZXUNMRK-KRWDZBQOSA-N 2 2 357.567 4.281 20 0 FIADLP Cc1ccccc1C[C@H](C)[NH+](C)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000447084974 1109431577 /nfs/dbraw/zinc/43/15/77/1109431577.db2.gz GXXFIFKZXUNMRK-KRWDZBQOSA-N 2 2 357.567 4.281 20 0 FIADLP Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000447084974 1109431578 /nfs/dbraw/zinc/43/15/78/1109431578.db2.gz GXXFIFKZXUNMRK-KRWDZBQOSA-N 2 2 357.567 4.281 20 0 FIADLP Cc1ccccc1C[C@H](C)[N@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000447084974 1109431580 /nfs/dbraw/zinc/43/15/80/1109431580.db2.gz GXXFIFKZXUNMRK-KRWDZBQOSA-N 2 2 357.567 4.281 20 0 FIADLP CC[N@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)[C@@H](C)Cc1ccsc1 ZINC000428468197 1109433861 /nfs/dbraw/zinc/43/38/61/1109433861.db2.gz NAFMGPLSHNYSDA-HNNXBMFYSA-N 2 2 363.596 4.424 20 0 FIADLP CC[N@@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)[C@@H](C)Cc1ccsc1 ZINC000428468197 1109433863 /nfs/dbraw/zinc/43/38/63/1109433863.db2.gz NAFMGPLSHNYSDA-HNNXBMFYSA-N 2 2 363.596 4.424 20 0 FIADLP CC[NH+](Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)[C@@H](C)Cc1ccsc1 ZINC000428468197 1109433866 /nfs/dbraw/zinc/43/38/66/1109433866.db2.gz NAFMGPLSHNYSDA-HNNXBMFYSA-N 2 2 363.596 4.424 20 0 FIADLP CC[NH+](Cc1nc2c(s1)C[N@H+](C(C)C)CC2)[C@@H](C)Cc1ccsc1 ZINC000428468197 1109433869 /nfs/dbraw/zinc/43/38/69/1109433869.db2.gz NAFMGPLSHNYSDA-HNNXBMFYSA-N 2 2 363.596 4.424 20 0 FIADLP OC(C[NH+]1CCC[C@@H]1c1ccsc1)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000447130603 1109454593 /nfs/dbraw/zinc/45/45/93/1109454593.db2.gz ZUZYWFFACTZHGC-RTBURBONSA-N 2 2 362.564 4.145 20 0 FIADLP OC(C[NH+]1CCC[C@@H]1c1ccsc1)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000447130603 1109454596 /nfs/dbraw/zinc/45/45/96/1109454596.db2.gz ZUZYWFFACTZHGC-RTBURBONSA-N 2 2 362.564 4.145 20 0 FIADLP Fc1cc(Br)ccc1[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1CC1 ZINC000526041847 1109600419 /nfs/dbraw/zinc/60/04/19/1109600419.db2.gz DJMLGRBDWYDRDA-KRWDZBQOSA-N 2 2 366.278 4.306 20 0 FIADLP C[C@H]([NH2+]Cc1cc2c(c(Cl)c1)OCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000527049573 1109679902 /nfs/dbraw/zinc/67/99/02/1109679902.db2.gz ZPNMBSZZXCZBEJ-ZDUSSCGKSA-N 2 2 355.825 4.105 20 0 FIADLP Fc1cc(-c2ccco2)ccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000448025687 1109697734 /nfs/dbraw/zinc/69/77/34/1109697734.db2.gz FDUAHZSMKWAOLK-UHFFFAOYSA-N 2 2 351.425 4.239 20 0 FIADLP C[C@@H]([NH2+]Cc1ccsc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000527691567 1109805480 /nfs/dbraw/zinc/80/54/80/1109805480.db2.gz NNKSILGUPUDFMJ-TZMCWYRMSA-N 2 2 357.361 4.253 20 0 FIADLP C[C@@H]([NH2+]Cc1ccsc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000527691567 1109805485 /nfs/dbraw/zinc/80/54/85/1109805485.db2.gz NNKSILGUPUDFMJ-TZMCWYRMSA-N 2 2 357.361 4.253 20 0 FIADLP CC(C)Oc1cc(Cl)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000527696116 1109806646 /nfs/dbraw/zinc/80/66/46/1109806646.db2.gz RPPHVFHEAOPTLD-ZDUSSCGKSA-N 2 2 354.281 4.082 20 0 FIADLP Fc1cccc(F)c1-c1ncc(C[NH+]2CCC(n3cc[nH+]c3)CC2)s1 ZINC000449018364 1109954825 /nfs/dbraw/zinc/95/48/25/1109954825.db2.gz KEHPHHCVWMJOPY-UHFFFAOYSA-N 2 2 360.433 4.122 20 0 FIADLP Brc1cccc2c(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccnc12 ZINC000449019713 1109955373 /nfs/dbraw/zinc/95/53/73/1109955373.db2.gz XABDCFYPYYFUPF-CQSZACIVSA-N 2 2 371.282 4.100 20 0 FIADLP Brc1cccc2c(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccnc12 ZINC000449019713 1109955375 /nfs/dbraw/zinc/95/53/75/1109955375.db2.gz XABDCFYPYYFUPF-CQSZACIVSA-N 2 2 371.282 4.100 20 0 FIADLP c1c2cccnc2oc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000449049220 1109967785 /nfs/dbraw/zinc/96/77/85/1109967785.db2.gz RGZIZRMOFDSENN-IFMALSPDSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cccnc2oc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000449049220 1109967787 /nfs/dbraw/zinc/96/77/87/1109967787.db2.gz RGZIZRMOFDSENN-IFMALSPDSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cccnc2oc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000449049220 1109967789 /nfs/dbraw/zinc/96/77/89/1109967789.db2.gz RGZIZRMOFDSENN-IFMALSPDSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cccnc2oc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000449049220 1109967790 /nfs/dbraw/zinc/96/77/90/1109967790.db2.gz RGZIZRMOFDSENN-IFMALSPDSA-N 2 2 361.489 4.314 20 0 FIADLP c1cn(Cc2cccc(C[NH2+]C3CCC(OC4CCCC4)CC3)c2)c[nH+]1 ZINC000449077712 1109974631 /nfs/dbraw/zinc/97/46/31/1109974631.db2.gz SQMGNGMCLAKDRS-UHFFFAOYSA-N 2 2 353.510 4.291 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449156317 1109986901 /nfs/dbraw/zinc/98/69/01/1109986901.db2.gz RWSAVCFOPWJILJ-HKUYNNGSSA-N 2 2 364.961 4.455 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc(-c3ccccc3F)s1)CCC2 ZINC000449171067 1109987942 /nfs/dbraw/zinc/98/79/42/1109987942.db2.gz SMSHBWCUXOAMFI-AWEZNQCLSA-N 2 2 356.470 4.121 20 0 FIADLP COCC[C@@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)c1ccc(C)o1 ZINC000449226699 1110002697 /nfs/dbraw/zinc/00/26/97/1110002697.db2.gz NLIXZXZXHGLDLQ-XMSQKQJNSA-N 2 2 370.537 4.351 20 0 FIADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCCc4c(F)cccc43)sc2C1 ZINC000449349479 1110037855 /nfs/dbraw/zinc/03/78/55/1110037855.db2.gz JUQICRHUPWOJIG-KRWDZBQOSA-N 2 2 359.514 4.216 20 0 FIADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCCc4c(F)cccc43)sc2C1 ZINC000449349479 1110037858 /nfs/dbraw/zinc/03/78/58/1110037858.db2.gz JUQICRHUPWOJIG-KRWDZBQOSA-N 2 2 359.514 4.216 20 0 FIADLP CCC(CC)(CC)C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449520463 1110097670 /nfs/dbraw/zinc/09/76/70/1110097670.db2.gz DVSSZWCUVFVUFP-UHFFFAOYSA-N 2 2 359.558 4.415 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000449520945 1110098204 /nfs/dbraw/zinc/09/82/04/1110098204.db2.gz GBMQKKFRPLGJCG-YLJYHZDGSA-N 2 2 357.542 4.025 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1 ZINC000449524639 1110098688 /nfs/dbraw/zinc/09/86/88/1110098688.db2.gz SEWIUUXBFZUZPT-UHFFFAOYSA-N 2 2 371.912 4.053 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC(C)=C[C@H](C)C3)CC2)cc1 ZINC000449523130 1110098962 /nfs/dbraw/zinc/09/89/62/1110098962.db2.gz KXDARGRWMVGUPT-UWJYYQICSA-N 2 2 369.553 4.191 20 0 FIADLP CCCC[C@H](CC)COCCCNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168117004 1110272206 /nfs/dbraw/zinc/27/22/06/1110272206.db2.gz NHYJRPFJAAYJIH-PZJWPPBQSA-N 2 2 361.574 4.255 20 0 FIADLP CCCC[C@H](CC)COCCCNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168117004 1110272208 /nfs/dbraw/zinc/27/22/08/1110272208.db2.gz NHYJRPFJAAYJIH-PZJWPPBQSA-N 2 2 361.574 4.255 20 0 FIADLP CC(=O)c1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000450476764 1110302741 /nfs/dbraw/zinc/30/27/41/1110302741.db2.gz RLFQWHJYQCWXAX-JPYJTQIMSA-N 2 2 350.506 4.374 20 0 FIADLP CC(=O)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000450476764 1110302744 /nfs/dbraw/zinc/30/27/44/1110302744.db2.gz RLFQWHJYQCWXAX-JPYJTQIMSA-N 2 2 350.506 4.374 20 0 FIADLP CC(=O)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000450476764 1110302747 /nfs/dbraw/zinc/30/27/47/1110302747.db2.gz RLFQWHJYQCWXAX-JPYJTQIMSA-N 2 2 350.506 4.374 20 0 FIADLP CC(=O)c1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000450476764 1110302749 /nfs/dbraw/zinc/30/27/49/1110302749.db2.gz RLFQWHJYQCWXAX-JPYJTQIMSA-N 2 2 350.506 4.374 20 0 FIADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)c(F)c1 ZINC000538556622 1111192668 /nfs/dbraw/zinc/19/26/68/1111192668.db2.gz DWVWWRVQRKDFLI-BBRMVZONSA-N 2 2 362.880 4.188 20 0 FIADLP Cc1nc(C(C)C)sc1[C@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000538559225 1111193314 /nfs/dbraw/zinc/19/33/14/1111193314.db2.gz VCZNEDOJLMOAIY-YOEHRIQHSA-N 2 2 373.570 4.283 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCc4ccc(Cl)cc43)[nH+]c2)CC1 ZINC000538590164 1111211532 /nfs/dbraw/zinc/21/15/32/1111211532.db2.gz IISLJZZMHFAELE-FQEVSTJZSA-N 2 2 370.928 4.365 20 0 FIADLP FC(F)(F)Oc1cccc([C@H]([NH2+]CCCCn2cc[nH+]c2)C2CC2)c1 ZINC000552033870 1111450326 /nfs/dbraw/zinc/45/03/26/1111450326.db2.gz WGOWJEQIPYVJJX-QGZVFWFLSA-N 2 2 353.388 4.303 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1ncc[nH]1 ZINC000552046349 1111556847 /nfs/dbraw/zinc/55/68/47/1111556847.db2.gz FOHNEJOTKUFRIO-KRWDZBQOSA-N 2 2 357.461 4.172 20 0 FIADLP COCCCOc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000552089895 1111570906 /nfs/dbraw/zinc/57/09/06/1111570906.db2.gz YHDFVSCICOZOMB-SFHVURJKSA-N 2 2 365.477 4.138 20 0 FIADLP C[N@@H+]1CC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@H]2CCC[C@H]21 ZINC000552276688 1111656679 /nfs/dbraw/zinc/65/66/79/1111656679.db2.gz HBKQZYSUGHIQBA-QHAWAJNXSA-N 2 2 350.510 4.171 20 0 FIADLP C[N@H+]1CC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@H]2CCC[C@H]21 ZINC000552276688 1111656683 /nfs/dbraw/zinc/65/66/83/1111656683.db2.gz HBKQZYSUGHIQBA-QHAWAJNXSA-N 2 2 350.510 4.171 20 0 FIADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000552497377 1111724482 /nfs/dbraw/zinc/72/44/82/1111724482.db2.gz IOMOORADZOXTNE-YJBOKZPZSA-N 2 2 350.453 4.045 20 0 FIADLP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000552497377 1111724486 /nfs/dbraw/zinc/72/44/86/1111724486.db2.gz IOMOORADZOXTNE-YJBOKZPZSA-N 2 2 350.453 4.045 20 0 FIADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000552497377 1111724490 /nfs/dbraw/zinc/72/44/90/1111724490.db2.gz IOMOORADZOXTNE-YJBOKZPZSA-N 2 2 350.453 4.045 20 0 FIADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000552497377 1111724495 /nfs/dbraw/zinc/72/44/95/1111724495.db2.gz IOMOORADZOXTNE-YJBOKZPZSA-N 2 2 350.453 4.045 20 0 FIADLP Brc1ccc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)cc1 ZINC000552743745 1111795297 /nfs/dbraw/zinc/79/52/97/1111795297.db2.gz KWZXXBPLBQGQQY-IBGZPJMESA-N 2 2 374.326 4.265 20 0 FIADLP COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000479383853 1112008440 /nfs/dbraw/zinc/00/84/40/1112008440.db2.gz MXQBSSKMRDYQGN-UHFFFAOYSA-N 2 2 370.456 4.233 20 0 FIADLP CC[N@@H+](Cc1cc2ccncc2s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000667660018 1112387857 /nfs/dbraw/zinc/38/78/57/1112387857.db2.gz YSTNAKVYBPFSGJ-UHFFFAOYSA-N 2 2 366.534 4.430 20 0 FIADLP CC[N@H+](Cc1cc2ccncc2s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000667660018 1112387863 /nfs/dbraw/zinc/38/78/63/1112387863.db2.gz YSTNAKVYBPFSGJ-UHFFFAOYSA-N 2 2 366.534 4.430 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)[C@@H](C)C1 ZINC000667666321 1112398571 /nfs/dbraw/zinc/39/85/71/1112398571.db2.gz JHKCFIRQPKPMQT-OXJNMPFZSA-N 2 2 357.473 4.175 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)[C@@H](C)C1 ZINC000667666321 1112398577 /nfs/dbraw/zinc/39/85/77/1112398577.db2.gz JHKCFIRQPKPMQT-OXJNMPFZSA-N 2 2 357.473 4.175 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)[C@@H](C)C1 ZINC000667666321 1112398584 /nfs/dbraw/zinc/39/85/84/1112398584.db2.gz JHKCFIRQPKPMQT-OXJNMPFZSA-N 2 2 357.473 4.175 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)[C@@H](C)C1 ZINC000667666321 1112398588 /nfs/dbraw/zinc/39/85/88/1112398588.db2.gz JHKCFIRQPKPMQT-OXJNMPFZSA-N 2 2 357.473 4.175 20 0 FIADLP Clc1sc(C[NH2+]CCCNc2cccc[nH+]2)cc1Br ZINC000480385498 1112413667 /nfs/dbraw/zinc/41/36/67/1112413667.db2.gz IHXAYFKMARQPSU-UHFFFAOYSA-N 2 2 360.708 4.151 20 0 FIADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3nc4cccc(Cl)c4n3C)CC2)C1 ZINC000480660448 1112526796 /nfs/dbraw/zinc/52/67/96/1112526796.db2.gz OQRPTXOMJUWPAX-DOTOQJQBSA-N 2 2 374.960 4.359 20 0 FIADLP Brc1cccc(-c2ccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)o2)c1 ZINC000554982373 1112607050 /nfs/dbraw/zinc/60/70/50/1112607050.db2.gz LANYEPVATBFCJS-CQSZACIVSA-N 2 2 372.266 4.079 20 0 FIADLP C[NH+]1CCC([N@H+](CCc2ccc(F)cc2Cl)Cc2ccco2)CC1 ZINC000555100735 1112667170 /nfs/dbraw/zinc/66/71/70/1112667170.db2.gz VYNRGFYTBOUURA-UHFFFAOYSA-N 2 2 350.865 4.211 20 0 FIADLP C[NH+]1CCC([N@@H+](CCc2ccc(F)cc2Cl)Cc2ccco2)CC1 ZINC000555100735 1112667174 /nfs/dbraw/zinc/66/71/74/1112667174.db2.gz VYNRGFYTBOUURA-UHFFFAOYSA-N 2 2 350.865 4.211 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(Br)ccc1F ZINC000481432241 1112941484 /nfs/dbraw/zinc/94/14/84/1112941484.db2.gz DQAQMQAMIQRLGY-GFCCVEGCSA-N 2 2 355.295 4.256 20 0 FIADLP Fc1c(Cl)cc(C(F)(F)F)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168365943 1112949336 /nfs/dbraw/zinc/94/93/36/1112949336.db2.gz GIUFJFQPAMVUEN-UHFFFAOYSA-N 2 2 364.814 4.462 20 0 FIADLP FC(F)(F)Oc1ccc2c(NCc3ccn4cc[nH+]c4c3)cc[nH+]c2c1 ZINC000899873638 1113035569 /nfs/dbraw/zinc/03/55/69/1113035569.db2.gz AWIGPJBESHOGOC-UHFFFAOYSA-N 2 2 358.323 4.393 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000482122639 1113182481 /nfs/dbraw/zinc/18/24/81/1113182481.db2.gz TYKMITXLTJBROY-JKSUJKDBSA-N 2 2 362.514 4.459 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(F)c1 ZINC000482122639 1113182482 /nfs/dbraw/zinc/18/24/82/1113182482.db2.gz TYKMITXLTJBROY-JKSUJKDBSA-N 2 2 362.514 4.459 20 0 FIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccccc1 ZINC000482455525 1113265309 /nfs/dbraw/zinc/26/53/09/1113265309.db2.gz GHIPPQQEPJJDQO-VXKWHMMOSA-N 2 2 356.485 4.112 20 0 FIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccccc1 ZINC000482455525 1113265313 /nfs/dbraw/zinc/26/53/13/1113265313.db2.gz GHIPPQQEPJJDQO-VXKWHMMOSA-N 2 2 356.485 4.112 20 0 FIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccccc1 ZINC000482455526 1113265517 /nfs/dbraw/zinc/26/55/17/1113265517.db2.gz GHIPPQQEPJJDQO-YADHBBJMSA-N 2 2 356.485 4.112 20 0 FIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccccc1 ZINC000482455526 1113265522 /nfs/dbraw/zinc/26/55/22/1113265522.db2.gz GHIPPQQEPJJDQO-YADHBBJMSA-N 2 2 356.485 4.112 20 0 FIADLP C[C@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000482690506 1113331555 /nfs/dbraw/zinc/33/15/55/1113331555.db2.gz OQBWSEMVYPIQCE-OAHLLOKOSA-N 2 2 374.529 4.213 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000482791086 1113365967 /nfs/dbraw/zinc/36/59/67/1113365967.db2.gz RJEQGDLWTNHMCJ-QGZVFWFLSA-N 2 2 373.928 4.317 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000482791086 1113365972 /nfs/dbraw/zinc/36/59/72/1113365972.db2.gz RJEQGDLWTNHMCJ-QGZVFWFLSA-N 2 2 373.928 4.317 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1OC(F)F ZINC000483124817 1113447061 /nfs/dbraw/zinc/44/70/61/1113447061.db2.gz HTNYMQOSCFUXDI-ZDUSSCGKSA-N 2 2 361.367 4.464 20 0 FIADLP COc1cc(C)c([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000483134933 1113450488 /nfs/dbraw/zinc/45/04/88/1113450488.db2.gz OAEIYVBXQNTPAM-INIZCTEOSA-N 2 2 351.450 4.049 20 0 FIADLP C(C[NH+]1CCS[C@H]2CCCC[C@H]21)C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000489387314 1114096086 /nfs/dbraw/zinc/09/60/86/1114096086.db2.gz KMHXOLCTSBIUHZ-SEXKYXSUSA-N 2 2 354.629 4.097 20 0 FIADLP C(C[NH+]1CCS[C@H]2CCCC[C@H]21)C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000489387314 1114096090 /nfs/dbraw/zinc/09/60/90/1114096090.db2.gz KMHXOLCTSBIUHZ-SEXKYXSUSA-N 2 2 354.629 4.097 20 0 FIADLP C(C[NH+]1CCS[C@@H]2CCCC[C@@H]21)C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000489387314 1114096094 /nfs/dbraw/zinc/09/60/94/1114096094.db2.gz KMHXOLCTSBIUHZ-SEXKYXSUSA-N 2 2 354.629 4.097 20 0 FIADLP C(C[NH+]1CCS[C@@H]2CCCC[C@@H]21)C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000489387314 1114096098 /nfs/dbraw/zinc/09/60/98/1114096098.db2.gz KMHXOLCTSBIUHZ-SEXKYXSUSA-N 2 2 354.629 4.097 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCOc3cc4c(cc31)CCCC4)CCC2 ZINC000489553957 1114131832 /nfs/dbraw/zinc/13/18/32/1114131832.db2.gz VIIZQPHAKNEECI-CTNGQTDRSA-N 2 2 365.521 4.451 20 0 FIADLP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000491019706 1114361949 /nfs/dbraw/zinc/36/19/49/1114361949.db2.gz LGESSCDMXFYBPT-WIOPSUGQSA-N 2 2 371.528 4.325 20 0 FIADLP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000491019706 1114361953 /nfs/dbraw/zinc/36/19/53/1114361953.db2.gz LGESSCDMXFYBPT-WIOPSUGQSA-N 2 2 371.528 4.325 20 0 FIADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000573018427 1115000380 /nfs/dbraw/zinc/00/03/80/1115000380.db2.gz NUSKWUXVEQLUNS-MAVJXHJTSA-N 2 2 357.448 4.390 20 0 FIADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000573018427 1115000387 /nfs/dbraw/zinc/00/03/87/1115000387.db2.gz NUSKWUXVEQLUNS-MAVJXHJTSA-N 2 2 357.448 4.390 20 0 FIADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081863 1115018248 /nfs/dbraw/zinc/01/82/48/1115018248.db2.gz AQWWKDCTPYVSGN-AZUAARDMSA-N 2 2 374.488 4.214 20 0 FIADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081863 1115018253 /nfs/dbraw/zinc/01/82/53/1115018253.db2.gz AQWWKDCTPYVSGN-AZUAARDMSA-N 2 2 374.488 4.214 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)n2c1CCCC2 ZINC000573268145 1115088086 /nfs/dbraw/zinc/08/80/86/1115088086.db2.gz CSRWQWUQBKHFMK-HXUWFJFHSA-N 2 2 373.504 4.056 20 0 FIADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H](C)c2nnc(C)s2)ccc1OC ZINC000760880999 1115121134 /nfs/dbraw/zinc/12/11/34/1115121134.db2.gz KZONWDGOVPHTTD-ZIAGYGMSSA-N 2 2 362.543 4.109 20 0 FIADLP c1nc(-c2ccccc2)sc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000761118761 1115545443 /nfs/dbraw/zinc/54/54/43/1115545443.db2.gz OQBDFGUGPQGWEZ-UHFFFAOYSA-N 2 2 350.491 4.282 20 0 FIADLP COc1cccc2c1CCC[C@H]2[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000669615387 1115668592 /nfs/dbraw/zinc/66/85/92/1115668592.db2.gz RCIJBMGVZGOTTJ-RTWAWAEBSA-N 2 2 361.489 4.380 20 0 FIADLP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000669694800 1115810524 /nfs/dbraw/zinc/81/05/24/1115810524.db2.gz FNMWOQOZMMCEKG-IBGZPJMESA-N 2 2 353.510 4.095 20 0 FIADLP Cc1cc(C)cc(OCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000669694800 1115810526 /nfs/dbraw/zinc/81/05/26/1115810526.db2.gz FNMWOQOZMMCEKG-IBGZPJMESA-N 2 2 353.510 4.095 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1csc(-c3ccc(C)cc3)n1)CCC2 ZINC000608067871 1116080674 /nfs/dbraw/zinc/08/06/74/1116080674.db2.gz ZFAKCVNZHGXCPF-QGZVFWFLSA-N 2 2 352.507 4.291 20 0 FIADLP Brc1ccc2c(c1)[nH+]ccc2N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000608083239 1116081444 /nfs/dbraw/zinc/08/14/44/1116081444.db2.gz ZPGMWVPPNDIRST-AWEZNQCLSA-N 2 2 357.255 4.035 20 0 FIADLP CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534126156 1116162443 /nfs/dbraw/zinc/16/24/43/1116162443.db2.gz CVPGIFCXBXOYLJ-UHFFFAOYSA-N 2 2 367.493 4.113 20 0 FIADLP CCC[NH+]1CCC([NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000535508704 1116313805 /nfs/dbraw/zinc/31/38/05/1116313805.db2.gz VQNNLWFSMQXPDN-INIZCTEOSA-N 2 2 355.295 4.040 20 0 FIADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428788744 1116343301 /nfs/dbraw/zinc/34/33/01/1116343301.db2.gz SAZVQACHSNEYKY-KDOFPFPSSA-N 2 2 367.415 4.062 20 0 FIADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428788744 1116343302 /nfs/dbraw/zinc/34/33/02/1116343302.db2.gz SAZVQACHSNEYKY-KDOFPFPSSA-N 2 2 367.415 4.062 20 0 FIADLP COc1ccc([C@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)C(C)C)cc1 ZINC000539658709 1116360938 /nfs/dbraw/zinc/36/09/38/1116360938.db2.gz FVEKJZFBASRVPM-SIKLNZKXSA-N 2 2 368.525 4.040 20 0 FIADLP Cc1ccc(CC[C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000539690844 1116366417 /nfs/dbraw/zinc/36/64/17/1116366417.db2.gz WVZYRALKKJOCCL-LJQANCHMSA-N 2 2 366.553 4.354 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)C)[C@@H](C)C1 ZINC000539817813 1116384859 /nfs/dbraw/zinc/38/48/59/1116384859.db2.gz COIWNRNIDFXPHP-GHTZIAJQSA-N 2 2 354.542 4.158 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)C)[C@@H](C)C1 ZINC000539817813 1116384861 /nfs/dbraw/zinc/38/48/61/1116384861.db2.gz COIWNRNIDFXPHP-GHTZIAJQSA-N 2 2 354.542 4.158 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)[C@@H](C)C1 ZINC000539817813 1116384863 /nfs/dbraw/zinc/38/48/63/1116384863.db2.gz COIWNRNIDFXPHP-GHTZIAJQSA-N 2 2 354.542 4.158 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)[C@@H](C)C1 ZINC000539817813 1116384864 /nfs/dbraw/zinc/38/48/64/1116384864.db2.gz COIWNRNIDFXPHP-GHTZIAJQSA-N 2 2 354.542 4.158 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@@H](C)C1 ZINC000539835155 1116388788 /nfs/dbraw/zinc/38/87/88/1116388788.db2.gz HSUCKNYYWSUSRN-BTYIYWSLSA-N 2 2 374.960 4.305 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@@H](C)C1 ZINC000539835155 1116388790 /nfs/dbraw/zinc/38/87/90/1116388790.db2.gz HSUCKNYYWSUSRN-BTYIYWSLSA-N 2 2 374.960 4.305 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@@H](C)C1 ZINC000539835155 1116388792 /nfs/dbraw/zinc/38/87/92/1116388792.db2.gz HSUCKNYYWSUSRN-BTYIYWSLSA-N 2 2 374.960 4.305 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@@H](C)C1 ZINC000539835155 1116388794 /nfs/dbraw/zinc/38/87/94/1116388794.db2.gz HSUCKNYYWSUSRN-BTYIYWSLSA-N 2 2 374.960 4.305 20 0 FIADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000539862798 1116392268 /nfs/dbraw/zinc/39/22/68/1116392268.db2.gz RNXCSTVJIPWIPC-NRFANRHFSA-N 2 2 363.509 4.165 20 0 FIADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000539862798 1116392270 /nfs/dbraw/zinc/39/22/70/1116392270.db2.gz RNXCSTVJIPWIPC-NRFANRHFSA-N 2 2 363.509 4.165 20 0 FIADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000539898427 1117740392 /nfs/dbraw/zinc/74/03/92/1117740392.db2.gz QTBJBCQNBOVJRK-GGAORHGYSA-N 3 2 369.597 4.093 20 0 FIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000539898427 1117740395 /nfs/dbraw/zinc/74/03/95/1117740395.db2.gz QTBJBCQNBOVJRK-GGAORHGYSA-N 3 2 369.597 4.093 20 0 FIADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000539898427 1117740398 /nfs/dbraw/zinc/74/03/98/1117740398.db2.gz QTBJBCQNBOVJRK-GGAORHGYSA-N 3 2 369.597 4.093 20 0 FIADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000539898427 1117740400 /nfs/dbraw/zinc/74/04/00/1117740400.db2.gz QTBJBCQNBOVJRK-GGAORHGYSA-N 3 2 369.597 4.093 20 0 FIADLP CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000462791913 1117774778 /nfs/dbraw/zinc/77/47/78/1117774778.db2.gz SPAQKFTYEGQDSS-UHFFFAOYSA-N 2 2 363.461 4.117 20 0 FIADLP C[C@H]([NH2+][C@@H]1CCOc2c(F)ccc(F)c21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462942149 1117871453 /nfs/dbraw/zinc/87/14/53/1117871453.db2.gz FJVJDWSUFNIJDE-RIFZZMRRSA-N 2 2 372.459 4.289 20 0 FIADLP C[C@H]([NH2+][C@@H]1CCOc2c(F)ccc(F)c21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462942149 1117871461 /nfs/dbraw/zinc/87/14/61/1117871461.db2.gz FJVJDWSUFNIJDE-RIFZZMRRSA-N 2 2 372.459 4.289 20 0 FIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCCn1c(C)nc2ccccc21 ZINC000463107247 1117967240 /nfs/dbraw/zinc/96/72/40/1117967240.db2.gz SPSAOTGNLSZIEK-UXHICEINSA-N 2 2 354.542 4.074 20 0 FIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCCn1c(C)nc2ccccc21 ZINC000463107247 1117967242 /nfs/dbraw/zinc/96/72/42/1117967242.db2.gz SPSAOTGNLSZIEK-UXHICEINSA-N 2 2 354.542 4.074 20 0 FIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCn1c(C)nc2ccccc21 ZINC000463107247 1117967245 /nfs/dbraw/zinc/96/72/45/1117967245.db2.gz SPSAOTGNLSZIEK-UXHICEINSA-N 2 2 354.542 4.074 20 0 FIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCCn1c(C)nc2ccccc21 ZINC000463107247 1117967249 /nfs/dbraw/zinc/96/72/49/1117967249.db2.gz SPSAOTGNLSZIEK-UXHICEINSA-N 2 2 354.542 4.074 20 0 FIADLP Brc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000540300594 1117975362 /nfs/dbraw/zinc/97/53/62/1117975362.db2.gz OQJZXTGMDDAROB-IBGZPJMESA-N 2 2 368.278 4.412 20 0 FIADLP c1ccc(CC[NH+]2CCC([NH2+][C@H](c3ccccc3)c3cccnc3)CC2)cc1 ZINC000463116045 1117977916 /nfs/dbraw/zinc/97/79/16/1117977916.db2.gz BERNFFNVHIEDME-RUZDIDTESA-N 2 2 371.528 4.468 20 0 FIADLP C[C@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000463118654 1117978198 /nfs/dbraw/zinc/97/81/98/1117978198.db2.gz KXVKJDAWKALYPA-GOSISDBHSA-N 2 2 363.977 4.014 20 0 FIADLP C[NH+](C)[C@@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000463144567 1117981429 /nfs/dbraw/zinc/98/14/29/1117981429.db2.gz KOICNLREJJVJAV-QFIPXVFZSA-N 2 2 371.956 4.197 20 0 FIADLP CCc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000540314621 1117987862 /nfs/dbraw/zinc/98/78/62/1117987862.db2.gz RMPOQUHYTDDKFT-QGZVFWFLSA-N 2 2 355.501 4.141 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3ccc(F)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000463156824 1117995800 /nfs/dbraw/zinc/99/58/00/1117995800.db2.gz VTZOCQQZFPHBTP-PBEJRMEISA-N 2 2 354.469 4.292 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3ccc(F)cc32)CC[N@H+]1Cc1ccccc1 ZINC000463156824 1117995803 /nfs/dbraw/zinc/99/58/03/1117995803.db2.gz VTZOCQQZFPHBTP-PBEJRMEISA-N 2 2 354.469 4.292 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463283788 1118070284 /nfs/dbraw/zinc/07/02/84/1118070284.db2.gz QDYSJDFCDZZRLY-XXBNENTESA-N 2 2 374.532 4.323 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463283788 1118070287 /nfs/dbraw/zinc/07/02/87/1118070287.db2.gz QDYSJDFCDZZRLY-XXBNENTESA-N 2 2 374.532 4.323 20 0 FIADLP Clc1cccc(N2CCCC2)c1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000540505994 1118097202 /nfs/dbraw/zinc/09/72/02/1118097202.db2.gz WZWFVXKXDMXGEE-GOSISDBHSA-N 2 2 361.961 4.248 20 0 FIADLP Clc1cccc(N2CCCC2)c1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000540505994 1118097206 /nfs/dbraw/zinc/09/72/06/1118097206.db2.gz WZWFVXKXDMXGEE-GOSISDBHSA-N 2 2 361.961 4.248 20 0 FIADLP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C12CCCCC2 ZINC000540597508 1118139676 /nfs/dbraw/zinc/13/96/76/1118139676.db2.gz TWXGGRICDSXTSV-SFTDATJTSA-N 2 2 353.510 4.149 20 0 FIADLP CCCOc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000540757272 1118225069 /nfs/dbraw/zinc/22/50/69/1118225069.db2.gz LLFLNTYUBPSHJT-YLJYHZDGSA-N 2 2 368.525 4.184 20 0 FIADLP CCCOc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000540757269 1118225208 /nfs/dbraw/zinc/22/52/08/1118225208.db2.gz LLFLNTYUBPSHJT-FXAWDEMLSA-N 2 2 368.525 4.184 20 0 FIADLP Cc1ccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1C ZINC000540790784 1118249149 /nfs/dbraw/zinc/24/91/49/1118249149.db2.gz SUVAYPIVDWOZBT-SFHVURJKSA-N 2 2 352.526 4.402 20 0 FIADLP c1csc(-c2cnc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)o2)c1 ZINC000541200818 1118421050 /nfs/dbraw/zinc/42/10/50/1118421050.db2.gz DDCHUNVJQKGPDQ-UHFFFAOYSA-N 2 2 356.495 4.292 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCCO1 ZINC000541541772 1118548159 /nfs/dbraw/zinc/54/81/59/1118548159.db2.gz HKOCZIZMTDQTOZ-MBSDFSHPSA-N 2 2 361.489 4.256 20 0 FIADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](C)Cc1ccc(OC)cc1 ZINC000541535621 1118554336 /nfs/dbraw/zinc/55/43/36/1118554336.db2.gz IFSWHFCJJJRJJF-MRXNPFEDSA-N 2 2 355.507 4.396 20 0 FIADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](C)Cc1ccc(OC)cc1 ZINC000541535621 1118554338 /nfs/dbraw/zinc/55/43/38/1118554338.db2.gz IFSWHFCJJJRJJF-MRXNPFEDSA-N 2 2 355.507 4.396 20 0 FIADLP CC[N@H+](CCO[C@@H]1CCCC[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807732 1118707681 /nfs/dbraw/zinc/70/76/81/1118707681.db2.gz INMLRPOWNNJCNN-TZIWHRDSSA-N 2 2 359.558 4.215 20 0 FIADLP CC[N@@H+](CCO[C@@H]1CCCC[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807732 1118707685 /nfs/dbraw/zinc/70/76/85/1118707685.db2.gz INMLRPOWNNJCNN-TZIWHRDSSA-N 2 2 359.558 4.215 20 0 FIADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168448603 1119363499 /nfs/dbraw/zinc/36/34/99/1119363499.db2.gz NYVKXUWZKDDFHO-HSZRJFAPSA-N 2 2 370.487 4.419 20 0 FIADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168448603 1119363502 /nfs/dbraw/zinc/36/35/02/1119363502.db2.gz NYVKXUWZKDDFHO-HSZRJFAPSA-N 2 2 370.487 4.419 20 0 FIADLP CCCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000178207306 1119377550 /nfs/dbraw/zinc/37/75/50/1119377550.db2.gz LEYZADVRQJFUOW-IBGZPJMESA-N 2 2 368.521 4.158 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccnn1-c1ccccc1 ZINC000467316089 1119422943 /nfs/dbraw/zinc/42/29/43/1119422943.db2.gz VJVGBHSLMAYPKE-FQEVSTJZSA-N 2 2 374.532 4.230 20 0 FIADLP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542465914 1119446762 /nfs/dbraw/zinc/44/67/62/1119446762.db2.gz CCBNIKYZACBNHM-IBGZPJMESA-N 2 2 363.490 4.158 20 0 FIADLP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542465914 1119446766 /nfs/dbraw/zinc/44/67/66/1119446766.db2.gz CCBNIKYZACBNHM-IBGZPJMESA-N 2 2 363.490 4.158 20 0 FIADLP CC(C)[NH2+]C1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000182869734 1119561845 /nfs/dbraw/zinc/56/18/45/1119561845.db2.gz GCVYOZLEUQEFSY-UHFFFAOYSA-N 2 2 363.958 4.443 20 0 FIADLP Fc1cc(Br)cc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000185638536 1119678552 /nfs/dbraw/zinc/67/85/52/1119678552.db2.gz SPZOCVAWXOTRKB-INIZCTEOSA-N 2 2 352.251 4.012 20 0 FIADLP Fc1cc(Br)cc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000185638536 1119678555 /nfs/dbraw/zinc/67/85/55/1119678555.db2.gz SPZOCVAWXOTRKB-INIZCTEOSA-N 2 2 352.251 4.012 20 0 FIADLP COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1OC ZINC000192150624 1120030374 /nfs/dbraw/zinc/03/03/74/1120030374.db2.gz LIISBKPDGOGJGE-KRWDZBQOSA-N 2 2 365.477 4.357 20 0 FIADLP COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)o1 ZINC000192191712 1120038201 /nfs/dbraw/zinc/03/82/01/1120038201.db2.gz VIPMBNLGVQSVRA-FQEVSTJZSA-N 2 2 351.450 4.257 20 0 FIADLP COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)o1 ZINC000192191712 1120038210 /nfs/dbraw/zinc/03/82/10/1120038210.db2.gz VIPMBNLGVQSVRA-FQEVSTJZSA-N 2 2 351.450 4.257 20 0 FIADLP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194733098 1120298963 /nfs/dbraw/zinc/29/89/63/1120298963.db2.gz OSUIHDJDDGUMRX-HNNXBMFYSA-N 2 2 362.468 4.300 20 0 FIADLP Cc1cnc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000670114282 1120342272 /nfs/dbraw/zinc/34/22/72/1120342272.db2.gz BEZFCUFMDHRJOT-WQHGSSGSSA-N 2 2 359.901 4.340 20 0 FIADLP Cc1cnc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000670114282 1120342279 /nfs/dbraw/zinc/34/22/79/1120342279.db2.gz BEZFCUFMDHRJOT-WQHGSSGSSA-N 2 2 359.901 4.340 20 0 FIADLP c1cn(-c2ccc(-c3nc(-c4cccc(C[NH+]5CCCC5)c4)no3)cc2)c[nH+]1 ZINC000761816719 1120497759 /nfs/dbraw/zinc/49/77/59/1120497759.db2.gz SWKGWCMHEXGIHY-UHFFFAOYSA-N 2 2 371.444 4.185 20 0 FIADLP C[C@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495374115 1120759364 /nfs/dbraw/zinc/75/93/64/1120759364.db2.gz MLCZFBUFXOYLGR-RIFZZMRRSA-N 2 2 356.897 4.274 20 0 FIADLP C[C@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495374115 1120759369 /nfs/dbraw/zinc/75/93/69/1120759369.db2.gz MLCZFBUFXOYLGR-RIFZZMRRSA-N 2 2 356.897 4.274 20 0 FIADLP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cc(Br)ncc1F ZINC000762736406 1120956815 /nfs/dbraw/zinc/95/68/15/1120956815.db2.gz QFHRRNAPYWLMEB-ZDUSSCGKSA-N 2 2 372.326 4.288 20 0 FIADLP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cc(Br)ncc1F ZINC000762736406 1120956819 /nfs/dbraw/zinc/95/68/19/1120956819.db2.gz QFHRRNAPYWLMEB-ZDUSSCGKSA-N 2 2 372.326 4.288 20 0 FIADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cc(Br)ncc1F ZINC000762760318 1120960302 /nfs/dbraw/zinc/96/03/02/1120960302.db2.gz LXGVZYFARATNAW-BXUZGUMPSA-N 2 2 360.315 4.000 20 0 FIADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(Br)ncc2F)C1 ZINC000762760841 1120960782 /nfs/dbraw/zinc/96/07/82/1120960782.db2.gz HWCCOXWGOKHIQE-UONOGXRCSA-N 2 2 372.326 4.002 20 0 FIADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(Br)ncc2F)C1 ZINC000762760841 1120960783 /nfs/dbraw/zinc/96/07/83/1120960783.db2.gz HWCCOXWGOKHIQE-UONOGXRCSA-N 2 2 372.326 4.002 20 0 FIADLP COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000237183122 1120974394 /nfs/dbraw/zinc/97/43/94/1120974394.db2.gz IYIQBPTVNCXHSA-QGZVFWFLSA-N 2 2 367.518 4.399 20 0 FIADLP Cn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000443969152 1121035245 /nfs/dbraw/zinc/03/52/45/1121035245.db2.gz GHOPHQRGXJSTJO-CYBMUJFWSA-N 2 2 371.282 4.115 20 0 FIADLP FC(F)Oc1ccccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000078912999 1121301617 /nfs/dbraw/zinc/30/16/17/1121301617.db2.gz RDIROKBLAOAFGA-UHFFFAOYSA-N 2 2 360.448 4.085 20 0 FIADLP C[C@H](CSC(C)(C)C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000153936133 1121465565 /nfs/dbraw/zinc/46/55/65/1121465565.db2.gz BTYITYLXELGJKA-QZTJIDSGSA-N 2 2 364.599 4.396 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)ccc2OCc2cccnc2)CC[N@@H+]1C ZINC000123893846 1121643268 /nfs/dbraw/zinc/64/32/68/1121643268.db2.gz FINTWGMLGYILPV-OXQOHEQNSA-N 2 2 373.928 4.229 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)ccc2OCc2cccnc2)CC[N@H+]1C ZINC000123893846 1121643272 /nfs/dbraw/zinc/64/32/72/1121643272.db2.gz FINTWGMLGYILPV-OXQOHEQNSA-N 2 2 373.928 4.229 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)ccc2OCc2cccnc2)CC[NH+]1C ZINC000123893846 1121643280 /nfs/dbraw/zinc/64/32/80/1121643280.db2.gz FINTWGMLGYILPV-OXQOHEQNSA-N 2 2 373.928 4.229 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OCc2cccnc2)CC[NH+]1C ZINC000123893846 1121643283 /nfs/dbraw/zinc/64/32/83/1121643283.db2.gz FINTWGMLGYILPV-OXQOHEQNSA-N 2 2 373.928 4.229 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ccccc1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126660352 1121973735 /nfs/dbraw/zinc/97/37/35/1121973735.db2.gz MUPXJENSDCQCME-JKSUJKDBSA-N 2 2 359.464 4.128 20 0 FIADLP CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)o1 ZINC000126778186 1121989755 /nfs/dbraw/zinc/98/97/55/1121989755.db2.gz FCXOLFACBVRWRJ-JKSUJKDBSA-N 2 2 359.489 4.145 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000765791463 1121995584 /nfs/dbraw/zinc/99/55/84/1121995584.db2.gz KGITUSRIGFZFKI-ILZDJORESA-N 2 2 370.468 4.132 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000765791463 1121995586 /nfs/dbraw/zinc/99/55/86/1121995586.db2.gz KGITUSRIGFZFKI-ILZDJORESA-N 2 2 370.468 4.132 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccc(F)cc2)s1 ZINC000765791499 1121995654 /nfs/dbraw/zinc/99/56/54/1121995654.db2.gz LJYDVMAJGOCGHQ-BMGDILEWSA-N 2 2 360.498 4.068 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccc(F)cc2)s1 ZINC000765791499 1121995658 /nfs/dbraw/zinc/99/56/58/1121995658.db2.gz LJYDVMAJGOCGHQ-BMGDILEWSA-N 2 2 360.498 4.068 20 0 FIADLP CCC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1nnc2ccccn21 ZINC000129277297 1122563384 /nfs/dbraw/zinc/56/33/84/1122563384.db2.gz GYDVPSICOSTXMR-VQIMIIECSA-N 2 2 360.465 4.107 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444790607 1122618802 /nfs/dbraw/zinc/61/88/02/1122618802.db2.gz IYHILEZVVDHISD-KSZLIROESA-N 2 2 368.525 4.140 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444790607 1122618804 /nfs/dbraw/zinc/61/88/04/1122618804.db2.gz IYHILEZVVDHISD-KSZLIROESA-N 2 2 368.525 4.140 20 0 FIADLP CCOc1cccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000556503225 1122933777 /nfs/dbraw/zinc/93/37/77/1122933777.db2.gz HITOXELTNQUQLI-XXBNENTESA-N 2 2 368.521 4.027 20 0 FIADLP CCOc1cccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000556503225 1122933780 /nfs/dbraw/zinc/93/37/80/1122933780.db2.gz HITOXELTNQUQLI-XXBNENTESA-N 2 2 368.521 4.027 20 0 FIADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(F)cn1 ZINC000498768506 1123001167 /nfs/dbraw/zinc/00/11/67/1123001167.db2.gz PDMNDEFUAPYGRP-IIBYNOLFSA-N 2 2 356.489 4.128 20 0 FIADLP C[NH+](C)[C@@]1(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCSC1 ZINC000556871010 1123153647 /nfs/dbraw/zinc/15/36/47/1123153647.db2.gz IFBBKGTYXVLTLB-IAGOWNOFSA-N 2 2 374.472 4.063 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000132131242 1123221449 /nfs/dbraw/zinc/22/14/49/1123221449.db2.gz XAAWHSCAMJDPHQ-AVRDEDQJSA-N 2 2 367.512 4.143 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000132131242 1123221454 /nfs/dbraw/zinc/22/14/54/1123221454.db2.gz XAAWHSCAMJDPHQ-AVRDEDQJSA-N 2 2 367.512 4.143 20 0 FIADLP COC(=O)c1ccc(-c2ccc(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)o2)cc1 ZINC000133140482 1123433353 /nfs/dbraw/zinc/43/33/53/1123433353.db2.gz CFUCQXUBTNKAKN-UHFFFAOYSA-N 2 2 370.493 4.086 20 0 FIADLP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000237530021 1123637790 /nfs/dbraw/zinc/63/77/90/1123637790.db2.gz QCQHHEJVPZZQHA-NNWRFLSQSA-N 2 2 367.537 4.150 20 0 FIADLP Cc1ccc([C@H](CN[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000237530021 1123637793 /nfs/dbraw/zinc/63/77/93/1123637793.db2.gz QCQHHEJVPZZQHA-NNWRFLSQSA-N 2 2 367.537 4.150 20 0 FIADLP Cc1cc(N2CCN(c3cc(C)[nH+]c4ccccc43)CC2)nc(C(C)C)[nH+]1 ZINC000649268249 1123661778 /nfs/dbraw/zinc/66/17/78/1123661778.db2.gz JCJQDZXUNBDFDC-UHFFFAOYSA-N 2 2 361.493 4.092 20 0 FIADLP COc1cccc2cc(C[NH2+]Cc3ccc(-n4cc[nH+]c4C)c(F)c3)oc21 ZINC000067977635 1124002415 /nfs/dbraw/zinc/00/24/15/1124002415.db2.gz PSQFVLJAUVUCMA-UHFFFAOYSA-N 2 2 365.408 4.364 20 0 FIADLP CCCOc1c(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000245696084 1124205393 /nfs/dbraw/zinc/20/53/93/1124205393.db2.gz CGCHBCOYGJUITQ-HOCLYGCPSA-N 2 2 354.922 4.052 20 0 FIADLP CCCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000245696084 1124205397 /nfs/dbraw/zinc/20/53/97/1124205397.db2.gz CGCHBCOYGJUITQ-HOCLYGCPSA-N 2 2 354.922 4.052 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000245696084 1124205398 /nfs/dbraw/zinc/20/53/98/1124205398.db2.gz CGCHBCOYGJUITQ-HOCLYGCPSA-N 2 2 354.922 4.052 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000245696084 1124205402 /nfs/dbraw/zinc/20/54/02/1124205402.db2.gz CGCHBCOYGJUITQ-HOCLYGCPSA-N 2 2 354.922 4.052 20 0 FIADLP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)on1 ZINC000542776038 1124254348 /nfs/dbraw/zinc/25/43/48/1124254348.db2.gz OCKLDFAHSVQJCL-RDJZCZTQSA-N 2 2 365.477 4.076 20 0 FIADLP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)on1 ZINC000542776038 1124254356 /nfs/dbraw/zinc/25/43/56/1124254356.db2.gz OCKLDFAHSVQJCL-RDJZCZTQSA-N 2 2 365.477 4.076 20 0 FIADLP CC(C)CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1(C)C ZINC000245895477 1124274864 /nfs/dbraw/zinc/27/48/64/1124274864.db2.gz NAFDTUIHUKAYSK-DUXKGJEZSA-N 2 2 359.558 4.036 20 0 FIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246701726 1124550827 /nfs/dbraw/zinc/55/08/27/1124550827.db2.gz MXYQCEPNOPPLFJ-HFTRVMKXSA-N 2 2 359.901 4.472 20 0 FIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246701726 1124550838 /nfs/dbraw/zinc/55/08/38/1124550838.db2.gz MXYQCEPNOPPLFJ-HFTRVMKXSA-N 2 2 359.901 4.472 20 0 FIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246701726 1124550848 /nfs/dbraw/zinc/55/08/48/1124550848.db2.gz MXYQCEPNOPPLFJ-HFTRVMKXSA-N 2 2 359.901 4.472 20 0 FIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246701726 1124550851 /nfs/dbraw/zinc/55/08/51/1124550851.db2.gz MXYQCEPNOPPLFJ-HFTRVMKXSA-N 2 2 359.901 4.472 20 0 FIADLP Cc1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)oc1-c1ccc(Cl)cc1 ZINC000248171648 1124748643 /nfs/dbraw/zinc/74/86/43/1124748643.db2.gz UXGQUCMHUYTOIM-WMZOPIPTSA-N 2 2 359.901 4.220 20 0 FIADLP Cc1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)oc1-c1ccc(Cl)cc1 ZINC000248171648 1124748645 /nfs/dbraw/zinc/74/86/45/1124748645.db2.gz UXGQUCMHUYTOIM-WMZOPIPTSA-N 2 2 359.901 4.220 20 0 FIADLP Cc1nc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)oc1-c1ccc(Cl)cc1 ZINC000248171648 1124748648 /nfs/dbraw/zinc/74/86/48/1124748648.db2.gz UXGQUCMHUYTOIM-WMZOPIPTSA-N 2 2 359.901 4.220 20 0 FIADLP Cc1nc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)oc1-c1ccc(Cl)cc1 ZINC000248171648 1124748652 /nfs/dbraw/zinc/74/86/52/1124748652.db2.gz UXGQUCMHUYTOIM-WMZOPIPTSA-N 2 2 359.901 4.220 20 0 FIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nccn2-c2ccccc2)[C@H]1c1cccs1 ZINC000249347027 1124854337 /nfs/dbraw/zinc/85/43/37/1124854337.db2.gz FGGWUTLCUCZJIY-UWJYYQICSA-N 2 2 366.534 4.107 20 0 FIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2nccn2-c2ccccc2)[C@H]1c1cccs1 ZINC000249347027 1124854345 /nfs/dbraw/zinc/85/43/45/1124854345.db2.gz FGGWUTLCUCZJIY-UWJYYQICSA-N 2 2 366.534 4.107 20 0 FIADLP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c3ccncc3)CC1)CCCO2 ZINC000090667851 1125012979 /nfs/dbraw/zinc/01/29/79/1125012979.db2.gz HIGGEWLXSRLCOB-AVRDEDQJSA-N 2 2 365.521 4.419 20 0 FIADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000090667342 1125013132 /nfs/dbraw/zinc/01/31/32/1125013132.db2.gz WXXFCZQKACHDMM-UZUQRXQVSA-N 2 2 365.521 4.283 20 0 FIADLP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563672 1125439364 /nfs/dbraw/zinc/43/93/64/1125439364.db2.gz HFSJDPYUTKPJSJ-NRFANRHFSA-N 2 2 353.485 4.338 20 0 FIADLP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563672 1125439368 /nfs/dbraw/zinc/43/93/68/1125439368.db2.gz HFSJDPYUTKPJSJ-NRFANRHFSA-N 2 2 353.485 4.338 20 0 FIADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000603966320 568191215 /nfs/dbraw/zinc/19/12/15/568191215.db2.gz ULPSITBYHPTCJY-MRXNPFEDSA-N 2 2 373.884 4.130 20 0 FIADLP CN(C)[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccsc1 ZINC000563119848 568224568 /nfs/dbraw/zinc/22/45/68/568224568.db2.gz JPUMPQLUMXKNFC-RTWAWAEBSA-N 2 2 369.578 4.138 20 0 FIADLP CN(C)[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccsc1 ZINC000563119848 568224569 /nfs/dbraw/zinc/22/45/69/568224569.db2.gz JPUMPQLUMXKNFC-RTWAWAEBSA-N 2 2 369.578 4.138 20 0 FIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccco2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165724 568594020 /nfs/dbraw/zinc/59/40/20/568594020.db2.gz SXIVMYBGKGKYOO-CRAIPNDOSA-N 2 2 352.400 4.471 20 0 FIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccco2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165724 568594021 /nfs/dbraw/zinc/59/40/21/568594021.db2.gz SXIVMYBGKGKYOO-CRAIPNDOSA-N 2 2 352.400 4.471 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2cccc(Br)c21 ZINC000152800492 1125654803 /nfs/dbraw/zinc/65/48/03/1125654803.db2.gz LSZOGSWBXIFTIW-SUMWQHHRSA-N 2 2 374.326 4.363 20 0 FIADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000153019202 1125718499 /nfs/dbraw/zinc/71/84/99/1125718499.db2.gz JBFSEVAWAVPXBV-PGRDOPGGSA-N 2 2 350.506 4.165 20 0 FIADLP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471167091 1080067626 /nfs/dbraw/zinc/06/76/26/1080067626.db2.gz ABHPYDGKEKGEIR-GXTWGEPZSA-N 2 2 357.845 4.054 20 0 FIADLP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471167091 1080067635 /nfs/dbraw/zinc/06/76/35/1080067635.db2.gz ABHPYDGKEKGEIR-GXTWGEPZSA-N 2 2 357.845 4.054 20 0 FIADLP CCC(CC)[N@H+](CCCC1OCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001209307515 1080559058 /nfs/dbraw/zinc/55/90/58/1080559058.db2.gz NPDLXGUJXOCNGV-UHFFFAOYSA-N 2 2 374.569 4.295 20 0 FIADLP CCC(CC)[N@@H+](CCCC1OCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001209307515 1080559062 /nfs/dbraw/zinc/55/90/62/1080559062.db2.gz NPDLXGUJXOCNGV-UHFFFAOYSA-N 2 2 374.569 4.295 20 0 FIADLP CCn1cnc(Cl)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC001648792988 1080647785 /nfs/dbraw/zinc/64/77/85/1080647785.db2.gz ZBTWXIBJAGRFHL-INIZCTEOSA-N 2 2 360.933 4.078 20 0 FIADLP CCn1cnc(Cl)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC001648792988 1080647787 /nfs/dbraw/zinc/64/77/87/1080647787.db2.gz ZBTWXIBJAGRFHL-INIZCTEOSA-N 2 2 360.933 4.078 20 0 FIADLP c1ccc(-c2cc[nH+]c(N3Cc4ccccc4C4(CC[NH2+]CC4)C3)c2)cc1 ZINC001167160321 1080767412 /nfs/dbraw/zinc/76/74/12/1080767412.db2.gz MWZNKLAQGPTBDX-UHFFFAOYSA-N 2 2 355.485 4.390 20 0 FIADLP Clc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000655682943 1081116041 /nfs/dbraw/zinc/11/60/41/1081116041.db2.gz NVTDXVLIYWORRG-FGZHOGPDSA-N 2 2 370.924 4.272 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(c1ccccc1)c1ccccc1 ZINC000655699924 1081124152 /nfs/dbraw/zinc/12/41/52/1081124152.db2.gz HWTASYDLIPKASE-WMZHIEFXSA-N 2 2 364.533 4.050 20 0 FIADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(Oc2ccccc2)c1 ZINC000655723884 1081138906 /nfs/dbraw/zinc/13/89/06/1081138906.db2.gz VIGYBNLECAACPG-NRFANRHFSA-N 2 2 366.505 4.130 20 0 FIADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655721773 1081140262 /nfs/dbraw/zinc/14/02/62/1081140262.db2.gz BEHSEULSGJZFBY-NHCUHLMSSA-N 2 2 370.562 4.183 20 0 FIADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1F ZINC000655752184 1081170094 /nfs/dbraw/zinc/17/00/94/1081170094.db2.gz VJESBFKPVXKBCF-VQIMIIECSA-N 2 2 354.897 4.019 20 0 FIADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655848505 1081257206 /nfs/dbraw/zinc/25/72/06/1081257206.db2.gz GFYYRULWEBSGFA-WMQCIHAUSA-N 2 2 372.557 4.228 20 0 FIADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655848505 1081257210 /nfs/dbraw/zinc/25/72/10/1081257210.db2.gz GFYYRULWEBSGFA-WMQCIHAUSA-N 2 2 372.557 4.228 20 0 FIADLP Cc1cc(-c2noc([C@H](C)[N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)n2)ccc1F ZINC000129465329 1081557571 /nfs/dbraw/zinc/55/75/71/1081557571.db2.gz GWBBYACWVZJDHF-DHSIGJKJSA-N 2 2 369.444 4.025 20 0 FIADLP Cc1cc(-c2noc([C@H](C)[N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)n2)ccc1F ZINC000129465329 1081557575 /nfs/dbraw/zinc/55/75/75/1081557575.db2.gz GWBBYACWVZJDHF-DHSIGJKJSA-N 2 2 369.444 4.025 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000379658339 1081850336 /nfs/dbraw/zinc/85/03/36/1081850336.db2.gz WCCGAERKRPIPDF-LPHOPBHVSA-N 2 2 368.912 4.130 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000379658339 1081850337 /nfs/dbraw/zinc/85/03/37/1081850337.db2.gz WCCGAERKRPIPDF-LPHOPBHVSA-N 2 2 368.912 4.130 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000379658340 1081850742 /nfs/dbraw/zinc/85/07/42/1081850742.db2.gz WCCGAERKRPIPDF-QFBILLFUSA-N 2 2 368.912 4.130 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000379658340 1081850747 /nfs/dbraw/zinc/85/07/47/1081850747.db2.gz WCCGAERKRPIPDF-QFBILLFUSA-N 2 2 368.912 4.130 20 0 FIADLP Brc1c2ccccc2oc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000656250660 1082013053 /nfs/dbraw/zinc/01/30/53/1082013053.db2.gz WZNWJSZSMRQKOQ-GFCCVEGCSA-N 2 2 360.255 4.298 20 0 FIADLP Brc1c2ccccc2oc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000656250660 1082013061 /nfs/dbraw/zinc/01/30/61/1082013061.db2.gz WZNWJSZSMRQKOQ-GFCCVEGCSA-N 2 2 360.255 4.298 20 0 FIADLP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)ccc1Br ZINC001203155701 1082084565 /nfs/dbraw/zinc/08/45/65/1082084565.db2.gz DRMRZLFRHMWDOL-QGZVFWFLSA-N 2 2 351.332 4.254 20 0 FIADLP Cc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)ccc1Br ZINC001203155701 1082084573 /nfs/dbraw/zinc/08/45/73/1082084573.db2.gz DRMRZLFRHMWDOL-QGZVFWFLSA-N 2 2 351.332 4.254 20 0 FIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1CCCNc2ccccc21)c1ccccc1 ZINC000581851406 1082928586 /nfs/dbraw/zinc/92/85/86/1082928586.db2.gz LAPNNAPVMBULPC-FYYLOGMGSA-N 2 2 367.537 4.233 20 0 FIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1CCCNc2ccccc21)c1ccccc1 ZINC000581851406 1082928588 /nfs/dbraw/zinc/92/85/88/1082928588.db2.gz LAPNNAPVMBULPC-FYYLOGMGSA-N 2 2 367.537 4.233 20 0 FIADLP C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000471794715 1082999468 /nfs/dbraw/zinc/99/94/68/1082999468.db2.gz UZIQVTXTNWHWQR-HNNXBMFYSA-N 2 2 357.404 4.367 20 0 FIADLP CC(C)(C)OC(=O)Nc1ccsc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000891725834 1083078917 /nfs/dbraw/zinc/07/89/17/1083078917.db2.gz UZHWWNPZCBTINR-ZDUSSCGKSA-N 2 2 362.499 4.198 20 0 FIADLP CC(C)(C)OC(=O)Nc1ccsc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000891725834 1083078921 /nfs/dbraw/zinc/07/89/21/1083078921.db2.gz UZHWWNPZCBTINR-ZDUSSCGKSA-N 2 2 362.499 4.198 20 0 FIADLP CO[C@H](C)c1nc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cs1 ZINC000471854308 1083121378 /nfs/dbraw/zinc/12/13/78/1083121378.db2.gz ZMBPHGWODGPNPC-KPFFTGBYSA-N 2 2 373.566 4.023 20 0 FIADLP CO[C@H](C)c1nc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cs1 ZINC000471854308 1083121381 /nfs/dbraw/zinc/12/13/81/1083121381.db2.gz ZMBPHGWODGPNPC-KPFFTGBYSA-N 2 2 373.566 4.023 20 0 FIADLP CO[C@H](C)c1nc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cs1 ZINC000471854309 1083121939 /nfs/dbraw/zinc/12/19/39/1083121939.db2.gz ZMBPHGWODGPNPC-POAQFYNOSA-N 2 2 373.566 4.023 20 0 FIADLP CO[C@H](C)c1nc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cs1 ZINC000471854309 1083121948 /nfs/dbraw/zinc/12/19/48/1083121948.db2.gz ZMBPHGWODGPNPC-POAQFYNOSA-N 2 2 373.566 4.023 20 0 FIADLP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000510680423 1083233635 /nfs/dbraw/zinc/23/36/35/1083233635.db2.gz IIQTVUJESJVCGZ-MRXNPFEDSA-N 2 2 355.432 4.321 20 0 FIADLP C[C@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430934702 1083242720 /nfs/dbraw/zinc/24/27/20/1083242720.db2.gz QNVUBVXTNWMTRS-WBVHZDCISA-N 2 2 368.912 4.080 20 0 FIADLP C[C@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430934702 1083242726 /nfs/dbraw/zinc/24/27/26/1083242726.db2.gz QNVUBVXTNWMTRS-WBVHZDCISA-N 2 2 368.912 4.080 20 0 FIADLP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000510706052 1083250007 /nfs/dbraw/zinc/25/00/07/1083250007.db2.gz RNQFCVZSGVFLCX-MRXNPFEDSA-N 2 2 355.432 4.321 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCc3ccc(Br)cc31)CCC2 ZINC000510720738 1083261066 /nfs/dbraw/zinc/26/10/66/1083261066.db2.gz LTXCPFSWAOPDGR-RHSMWYFYSA-N 2 2 360.299 4.109 20 0 FIADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000510737038 1083288015 /nfs/dbraw/zinc/28/80/15/1083288015.db2.gz RRYSRPRJZPIJCV-YOEHRIQHSA-N 2 2 360.489 4.053 20 0 FIADLP C[C@@H]1C[NH+](Cc2cncc(C[N@@H+]3CCC(F)(F)[C@H](C)C3)c2)CCC1(F)F ZINC000581984397 1083321964 /nfs/dbraw/zinc/32/19/64/1083321964.db2.gz BYAYLMZYAMBVPV-HUUCEWRRSA-N 2 2 373.438 4.036 20 0 FIADLP C[C@@H]1C[NH+](Cc2cncc(C[N@H+]3CCC(F)(F)[C@H](C)C3)c2)CCC1(F)F ZINC000581984397 1083321966 /nfs/dbraw/zinc/32/19/66/1083321966.db2.gz BYAYLMZYAMBVPV-HUUCEWRRSA-N 2 2 373.438 4.036 20 0 FIADLP C[C@H](c1ccc2ccccc2c1)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000431085831 1083330793 /nfs/dbraw/zinc/33/07/93/1083330793.db2.gz RRUCQIMLQUVBTF-CQSZACIVSA-N 2 2 350.466 4.142 20 0 FIADLP C[C@H](c1ccc2ccccc2c1)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000431085831 1083330796 /nfs/dbraw/zinc/33/07/96/1083330796.db2.gz RRUCQIMLQUVBTF-CQSZACIVSA-N 2 2 350.466 4.142 20 0 FIADLP CCCCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000658291687 1083396515 /nfs/dbraw/zinc/39/65/15/1083396515.db2.gz DNHZVFAWCQENPT-WIYYLYMNSA-N 2 2 360.542 4.160 20 0 FIADLP CC(C)(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000658296231 1083396974 /nfs/dbraw/zinc/39/69/74/1083396974.db2.gz YGLKYAFVSPDQBQ-GHTZIAJQSA-N 2 2 356.510 4.363 20 0 FIADLP Cc1cccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2cccc(F)c2)c1 ZINC000658295311 1083397767 /nfs/dbraw/zinc/39/77/67/1083397767.db2.gz LVBZFKZKKSAKJC-DHIUTWEWSA-N 2 2 368.496 4.066 20 0 FIADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1Cl ZINC000658295380 1083398703 /nfs/dbraw/zinc/39/87/03/1083398703.db2.gz MGVFEVGMHGFTEA-QAPCUYQASA-N 2 2 366.933 4.031 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)o1 ZINC000092587908 1083445852 /nfs/dbraw/zinc/44/58/52/1083445852.db2.gz ODTADJOMWFVQDI-FUHWJXTLSA-N 2 2 356.514 4.065 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)o1 ZINC000092587908 1083445855 /nfs/dbraw/zinc/44/58/55/1083445855.db2.gz ODTADJOMWFVQDI-FUHWJXTLSA-N 2 2 356.514 4.065 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000092587908 1083445859 /nfs/dbraw/zinc/44/58/59/1083445859.db2.gz ODTADJOMWFVQDI-FUHWJXTLSA-N 2 2 356.514 4.065 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000092587908 1083445866 /nfs/dbraw/zinc/44/58/66/1083445866.db2.gz ODTADJOMWFVQDI-FUHWJXTLSA-N 2 2 356.514 4.065 20 0 FIADLP CCC[N@H+](CCn1cc[nH+]c1C)[C@H](C)c1ccccc1Br ZINC000535665832 1083451220 /nfs/dbraw/zinc/45/12/20/1083451220.db2.gz MYQFPPZYFBGGGX-CQSZACIVSA-N 2 2 350.304 4.427 20 0 FIADLP CCC[N@@H+](CCn1cc[nH+]c1C)[C@H](C)c1ccccc1Br ZINC000535665832 1083451228 /nfs/dbraw/zinc/45/12/28/1083451228.db2.gz MYQFPPZYFBGGGX-CQSZACIVSA-N 2 2 350.304 4.427 20 0 FIADLP CCCCCOc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1OC ZINC000092648734 1083462660 /nfs/dbraw/zinc/46/26/60/1083462660.db2.gz XHRARHGIYNLALD-UHFFFAOYSA-N 2 2 357.498 4.298 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000535809986 1083680806 /nfs/dbraw/zinc/68/08/06/1083680806.db2.gz SZCAJKHIKMOART-JXFKEZNVSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000535809986 1083680813 /nfs/dbraw/zinc/68/08/13/1083680813.db2.gz SZCAJKHIKMOART-JXFKEZNVSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000535809986 1083680816 /nfs/dbraw/zinc/68/08/16/1083680816.db2.gz SZCAJKHIKMOART-JXFKEZNVSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000535809986 1083680868 /nfs/dbraw/zinc/68/08/68/1083680868.db2.gz SZCAJKHIKMOART-JXFKEZNVSA-N 2 2 370.928 4.179 20 0 FIADLP CCn1nc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c2ccccc21 ZINC000472061770 1084212754 /nfs/dbraw/zinc/21/27/54/1084212754.db2.gz GOBZULJEVSUHJS-SFHVURJKSA-N 2 2 362.521 4.371 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000657289028 1084241923 /nfs/dbraw/zinc/24/19/23/1084241923.db2.gz GCLFPFVLARKHQR-OAHLLOKOSA-N 2 2 351.425 4.403 20 0 FIADLP Cc1ccc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c(-c2ccnn2C)c1 ZINC000548979198 1084289818 /nfs/dbraw/zinc/28/98/18/1084289818.db2.gz NQCBEVAXMFTVMN-DEOSSOPVSA-N 2 2 374.532 4.322 20 0 FIADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472502549 1084338288 /nfs/dbraw/zinc/33/82/88/1084338288.db2.gz OLYVDTVYRNRJMB-GDBMZVCRSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472502549 1084338301 /nfs/dbraw/zinc/33/83/01/1084338301.db2.gz OLYVDTVYRNRJMB-GDBMZVCRSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@H](c1ccccc1Br)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472502549 1084338306 /nfs/dbraw/zinc/33/83/06/1084338306.db2.gz OLYVDTVYRNRJMB-GDBMZVCRSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@H](c1ccccc1Br)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472502549 1084338316 /nfs/dbraw/zinc/33/83/16/1084338316.db2.gz OLYVDTVYRNRJMB-GDBMZVCRSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@H]1CCCOC1 ZINC000511048784 1084364982 /nfs/dbraw/zinc/36/49/82/1084364982.db2.gz PMVXDUGBBOVPLF-QLBRKBSLSA-N 2 2 364.533 4.059 20 0 FIADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@H]1CCCOC1 ZINC000511048784 1084364997 /nfs/dbraw/zinc/36/49/97/1084364997.db2.gz PMVXDUGBBOVPLF-QLBRKBSLSA-N 2 2 364.533 4.059 20 0 FIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892132925 1084398365 /nfs/dbraw/zinc/39/83/65/1084398365.db2.gz BUIROJXRPOBWOJ-HNNXBMFYSA-N 2 2 367.559 4.259 20 0 FIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892132925 1084398381 /nfs/dbraw/zinc/39/83/81/1084398381.db2.gz BUIROJXRPOBWOJ-HNNXBMFYSA-N 2 2 367.559 4.259 20 0 FIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892132925 1084398394 /nfs/dbraw/zinc/39/83/94/1084398394.db2.gz BUIROJXRPOBWOJ-HNNXBMFYSA-N 2 2 367.559 4.259 20 0 FIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892132925 1084398405 /nfs/dbraw/zinc/39/84/05/1084398405.db2.gz BUIROJXRPOBWOJ-HNNXBMFYSA-N 2 2 367.559 4.259 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414092659 1084523075 /nfs/dbraw/zinc/52/30/75/1084523075.db2.gz FKNFFGUHZBYJEC-UXPWSPDFSA-N 2 2 359.558 4.179 20 0 FIADLP c1ccc(NCCCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)[nH+]c1 ZINC000431345812 1084557175 /nfs/dbraw/zinc/55/71/75/1084557175.db2.gz AFVOGJMCZUFWDG-FQEVSTJZSA-N 2 2 351.494 4.266 20 0 FIADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nc2c(s1)CCC2 ZINC000414154865 1084711355 /nfs/dbraw/zinc/71/13/55/1084711355.db2.gz LUXGGIQCQSVKGK-OQIJWPOYSA-N 2 2 367.562 4.478 20 0 FIADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nc2c(s1)CCC2 ZINC000414154865 1084711360 /nfs/dbraw/zinc/71/13/60/1084711360.db2.gz LUXGGIQCQSVKGK-OQIJWPOYSA-N 2 2 367.562 4.478 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccc(F)cc2F)CC[N@@H+]1C ZINC000657382586 1084824870 /nfs/dbraw/zinc/82/48/70/1084824870.db2.gz SATASBNTFUZYQP-BEFAXECRSA-N 2 2 360.448 4.116 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccc(F)cc2F)CC[N@H+]1C ZINC000657382586 1084824874 /nfs/dbraw/zinc/82/48/74/1084824874.db2.gz SATASBNTFUZYQP-BEFAXECRSA-N 2 2 360.448 4.116 20 0 FIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1sccc1Cl ZINC000549041100 1084884977 /nfs/dbraw/zinc/88/49/77/1084884977.db2.gz WIEQHONOFVVZQY-UHFFFAOYSA-N 3 2 370.006 4.030 20 0 FIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1sccc1Cl ZINC000549041100 1084884984 /nfs/dbraw/zinc/88/49/84/1084884984.db2.gz WIEQHONOFVVZQY-UHFFFAOYSA-N 3 2 370.006 4.030 20 0 FIADLP Fc1cccc(F)c1C1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000414247364 1084903364 /nfs/dbraw/zinc/90/33/64/1084903364.db2.gz VAKDZAJQMUCQSH-UHFFFAOYSA-N 2 2 357.448 4.040 20 0 FIADLP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c(C)c1 ZINC000657412798 1084944731 /nfs/dbraw/zinc/94/47/31/1084944731.db2.gz PCGIXSJDJBNXRZ-LJQANCHMSA-N 2 2 367.537 4.494 20 0 FIADLP COC(=O)c1csc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001167573339 1084992507 /nfs/dbraw/zinc/99/25/07/1084992507.db2.gz UVBUHRUEIDNFIJ-APWZRJJASA-N 2 2 372.534 4.020 20 0 FIADLP COC(=O)c1csc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001167573339 1084992509 /nfs/dbraw/zinc/99/25/09/1084992509.db2.gz UVBUHRUEIDNFIJ-APWZRJJASA-N 2 2 372.534 4.020 20 0 FIADLP COC(=O)c1csc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001167573339 1084992513 /nfs/dbraw/zinc/99/25/13/1084992513.db2.gz UVBUHRUEIDNFIJ-APWZRJJASA-N 2 2 372.534 4.020 20 0 FIADLP COC(=O)c1csc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001167573339 1084992514 /nfs/dbraw/zinc/99/25/14/1084992514.db2.gz UVBUHRUEIDNFIJ-APWZRJJASA-N 2 2 372.534 4.020 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2c3ccc(F)cc3O[C@@H]2C)cc1 ZINC000582505178 1085080230 /nfs/dbraw/zinc/08/02/30/1085080230.db2.gz SWDCNLLTQHGZJN-PXIJXODZSA-N 2 2 351.425 4.493 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000582517966 1085090021 /nfs/dbraw/zinc/09/00/21/1085090021.db2.gz FVLMQODWGMLJJA-HNNXBMFYSA-N 2 2 361.892 4.232 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000511151272 1085099931 /nfs/dbraw/zinc/09/99/31/1085099931.db2.gz DTTAOSDMYNHOSF-UHFFFAOYSA-N 2 2 366.549 4.298 20 0 FIADLP c1c2cnccc2oc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000651650931 1085291369 /nfs/dbraw/zinc/29/13/69/1085291369.db2.gz FKIGTNUOJWONLS-KNQAVFIVSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cnccc2oc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000651650931 1085291382 /nfs/dbraw/zinc/29/13/82/1085291382.db2.gz FKIGTNUOJWONLS-KNQAVFIVSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cnccc2oc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000651650931 1085291394 /nfs/dbraw/zinc/29/13/94/1085291394.db2.gz FKIGTNUOJWONLS-KNQAVFIVSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cnccc2oc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000651650931 1085291407 /nfs/dbraw/zinc/29/14/07/1085291407.db2.gz FKIGTNUOJWONLS-KNQAVFIVSA-N 2 2 361.489 4.314 20 0 FIADLP COc1cc(OC)c(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1F ZINC000651738612 1085436364 /nfs/dbraw/zinc/43/63/64/1085436364.db2.gz RKQQSJCNRYCLED-AWEZNQCLSA-N 2 2 369.440 4.188 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCCC[C@H]3C)CC2)cc1 ZINC000651821890 1085527480 /nfs/dbraw/zinc/52/74/80/1085527480.db2.gz AKSVFPKUWOCGRP-VGSWGCGISA-N 2 2 357.542 4.168 20 0 FIADLP FC(F)(F)Oc1ccccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000075758138 1085546271 /nfs/dbraw/zinc/54/62/71/1085546271.db2.gz YLYKRFUSQOHSNB-UHFFFAOYSA-N 2 2 361.367 4.120 20 0 FIADLP FC(F)(F)Oc1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000076396396 1085567311 /nfs/dbraw/zinc/56/73/11/1085567311.db2.gz UYVJLGMUXNRPJB-UHFFFAOYSA-N 2 2 361.367 4.120 20 0 FIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2csc(Cl)c2Cl)[C@@H](C)C1 ZINC000432245461 1085946425 /nfs/dbraw/zinc/94/64/25/1085946425.db2.gz JCLOTDCYOORAMG-GXTWGEPZSA-N 2 2 365.370 4.282 20 0 FIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2csc(Cl)c2Cl)[C@@H](C)C1 ZINC000432245461 1085946427 /nfs/dbraw/zinc/94/64/27/1085946427.db2.gz JCLOTDCYOORAMG-GXTWGEPZSA-N 2 2 365.370 4.282 20 0 FIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2csc(Cl)c2Cl)[C@@H](C)C1 ZINC000432245462 1085946697 /nfs/dbraw/zinc/94/66/97/1085946697.db2.gz JCLOTDCYOORAMG-JSGCOSHPSA-N 2 2 365.370 4.282 20 0 FIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2csc(Cl)c2Cl)[C@@H](C)C1 ZINC000432245462 1085946703 /nfs/dbraw/zinc/94/67/03/1085946703.db2.gz JCLOTDCYOORAMG-JSGCOSHPSA-N 2 2 365.370 4.282 20 0 FIADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000709636900 1086002427 /nfs/dbraw/zinc/00/24/27/1086002427.db2.gz QJDRAEPZZWSYSL-YPAWHYETSA-N 2 2 356.554 4.369 20 0 FIADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000709636900 1086002436 /nfs/dbraw/zinc/00/24/36/1086002436.db2.gz QJDRAEPZZWSYSL-YPAWHYETSA-N 2 2 356.554 4.369 20 0 FIADLP CCc1onc(C)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167646881 1086016823 /nfs/dbraw/zinc/01/68/23/1086016823.db2.gz IHDYXPFOLSBFNN-TZIWHRDSSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1onc(C)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167646881 1086016832 /nfs/dbraw/zinc/01/68/32/1086016832.db2.gz IHDYXPFOLSBFNN-TZIWHRDSSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1onc(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001167646881 1086016844 /nfs/dbraw/zinc/01/68/44/1086016844.db2.gz IHDYXPFOLSBFNN-TZIWHRDSSA-N 2 2 353.510 4.032 20 0 FIADLP CCc1onc(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001167646881 1086016858 /nfs/dbraw/zinc/01/68/58/1086016858.db2.gz IHDYXPFOLSBFNN-TZIWHRDSSA-N 2 2 353.510 4.032 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000246564976 1086131425 /nfs/dbraw/zinc/13/14/25/1086131425.db2.gz XMCOWKCOVXLKJQ-LAUBAEHRSA-N 2 2 357.929 4.168 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000246564976 1086131442 /nfs/dbraw/zinc/13/14/42/1086131442.db2.gz XMCOWKCOVXLKJQ-LAUBAEHRSA-N 2 2 357.929 4.168 20 0 FIADLP COc1cc(C[NH2+]CCCCn2cc[nH+]c2)c(-c2ccccc2)cc1OC ZINC000079923506 1086448821 /nfs/dbraw/zinc/44/88/21/1086448821.db2.gz GRIVRDAHOUOYKW-UHFFFAOYSA-N 2 2 365.477 4.137 20 0 FIADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662534288 1086488889 /nfs/dbraw/zinc/48/88/89/1086488889.db2.gz JTQVFYPZZRXUIH-GOSISDBHSA-N 2 2 360.461 4.016 20 0 FIADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278891475 1086538363 /nfs/dbraw/zinc/53/83/63/1086538363.db2.gz OGFOANKQJPGMTJ-OAHLLOKOSA-N 2 2 356.514 4.446 20 0 FIADLP CCCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000548792215 1086551527 /nfs/dbraw/zinc/55/15/27/1086551527.db2.gz IFKVJEIYONBLMY-IBGZPJMESA-N 2 2 353.510 4.388 20 0 FIADLP CCCOc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000548792215 1086551535 /nfs/dbraw/zinc/55/15/35/1086551535.db2.gz IFKVJEIYONBLMY-IBGZPJMESA-N 2 2 353.510 4.388 20 0 FIADLP Cc1cc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)sc1Br ZINC000512005765 1086633446 /nfs/dbraw/zinc/63/34/46/1086633446.db2.gz FGWGTBKUXQKROT-GFCCVEGCSA-N 2 2 354.317 4.367 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cc2n(n1)CCCC2 ZINC000647289688 1086647986 /nfs/dbraw/zinc/64/79/86/1086647986.db2.gz DGZASVCLEXEZPN-RZQQEMMASA-N 2 2 358.555 4.015 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cc2n(n1)CCCC2 ZINC000647289688 1086647987 /nfs/dbraw/zinc/64/79/87/1086647987.db2.gz DGZASVCLEXEZPN-RZQQEMMASA-N 2 2 358.555 4.015 20 0 FIADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(-c2ccncc2)cc1 ZINC000512036413 1086682281 /nfs/dbraw/zinc/68/22/81/1086682281.db2.gz IASOWDWVDUCJMS-HNNXBMFYSA-N 2 2 352.507 4.118 20 0 FIADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000432408925 1086732265 /nfs/dbraw/zinc/73/22/65/1086732265.db2.gz DHNXBGXAAJWWAF-STQMWFEESA-N 2 2 363.304 4.284 20 0 FIADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000432408925 1086732269 /nfs/dbraw/zinc/73/22/69/1086732269.db2.gz DHNXBGXAAJWWAF-STQMWFEESA-N 2 2 363.304 4.284 20 0 FIADLP Cc1cccc(-c2cccc(C[NH2+]Cc3ncc(C[NH+](C)C)s3)c2)c1 ZINC000512084493 1086751257 /nfs/dbraw/zinc/75/12/57/1086751257.db2.gz PQBDWPMXRPYOMF-UHFFFAOYSA-N 2 2 351.519 4.470 20 0 FIADLP C[N@@H+]1CCC[C@@H](CNc2[nH+]ccc3c(N)cccc32)[C@@H]1c1cccs1 ZINC000663659807 1086791006 /nfs/dbraw/zinc/79/10/06/1086791006.db2.gz HSSHPZJWCPMFJW-IFXJQAMLSA-N 2 2 352.507 4.374 20 0 FIADLP C[N@H+]1CCC[C@@H](CNc2[nH+]ccc3c(N)cccc32)[C@@H]1c1cccs1 ZINC000663659807 1086791014 /nfs/dbraw/zinc/79/10/14/1086791014.db2.gz HSSHPZJWCPMFJW-IFXJQAMLSA-N 2 2 352.507 4.374 20 0 FIADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)s2)o1 ZINC000092812905 1087080073 /nfs/dbraw/zinc/08/00/73/1087080073.db2.gz LTAHVDVYFUBEPH-OAHLLOKOSA-N 2 2 354.479 4.041 20 0 FIADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)s2)o1 ZINC000092812905 1087080083 /nfs/dbraw/zinc/08/00/83/1087080083.db2.gz LTAHVDVYFUBEPH-OAHLLOKOSA-N 2 2 354.479 4.041 20 0 FIADLP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000657833134 1087204546 /nfs/dbraw/zinc/20/45/46/1087204546.db2.gz FHHDESJDKZXTQT-KRWDZBQOSA-N 2 2 365.443 4.392 20 0 FIADLP CC1(C)OCc2cc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)ccc2O1 ZINC000685459626 1087578206 /nfs/dbraw/zinc/57/82/06/1087578206.db2.gz SUZJEYYNBDHIFE-UHFFFAOYSA-N 2 2 369.509 4.221 20 0 FIADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C(F)F)nc1 ZINC000657897694 1087593164 /nfs/dbraw/zinc/59/31/64/1087593164.db2.gz VEZGPILEBJYEKA-KBXCAEBGSA-N 2 2 356.420 4.387 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCCC2(CCC[N@@H+]([C@@H](C)c3ccncc3)C2)C1 ZINC000685593161 1087635696 /nfs/dbraw/zinc/63/56/96/1087635696.db2.gz DEAUSTXPWYXBAA-ZXTYOHMPSA-N 2 2 364.537 4.477 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCCC2(CCC[N@H+]([C@@H](C)c3ccncc3)C2)C1 ZINC000685593161 1087635698 /nfs/dbraw/zinc/63/56/98/1087635698.db2.gz DEAUSTXPWYXBAA-ZXTYOHMPSA-N 2 2 364.537 4.477 20 0 FIADLP Cc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1Br ZINC000081201185 1087675225 /nfs/dbraw/zinc/67/52/25/1087675225.db2.gz XBFBJSKMGAQULE-UHFFFAOYSA-N 2 2 356.267 4.233 20 0 FIADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000658195944 1087788781 /nfs/dbraw/zinc/78/87/81/1087788781.db2.gz PUIDFTUBQHWYCW-VGSWGCGISA-N 2 2 373.504 4.191 20 0 FIADLP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2csc(COc3ccccc3)n2)cc1 ZINC000414807287 1088164114 /nfs/dbraw/zinc/16/41/14/1088164114.db2.gz IXNUOJFCFKJONM-HNNXBMFYSA-N 2 2 353.491 4.032 20 0 FIADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414814862 1088238986 /nfs/dbraw/zinc/23/89/86/1088238986.db2.gz OGXSSHBLARKCTI-KRWDZBQOSA-N 2 2 359.901 4.199 20 0 FIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cn(C)nc2-c2cccs2)cc1 ZINC000414821066 1088299576 /nfs/dbraw/zinc/29/95/76/1088299576.db2.gz BPNWCIKJDXRVGI-SFHVURJKSA-N 2 2 354.523 4.062 20 0 FIADLP COC(=O)c1csc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000514104952 1088750663 /nfs/dbraw/zinc/75/06/63/1088750663.db2.gz NQXVRCGSMDRFEM-MRXNPFEDSA-N 2 2 372.534 4.158 20 0 FIADLP CN(c1ccccc1CNc1ccc2c(c1)CCC[NH2+]2)C1CC[NH+](C)CC1 ZINC000414853610 1089028438 /nfs/dbraw/zinc/02/84/38/1089028438.db2.gz SCTPXUGYMGHTDQ-UHFFFAOYSA-N 2 2 364.537 4.187 20 0 FIADLP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434980416 1089180862 /nfs/dbraw/zinc/18/08/62/1089180862.db2.gz DRFMUIRUISKNAD-GFCCVEGCSA-N 2 2 357.845 4.054 20 0 FIADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC(F)(c4ccccc4)CC3)sc2C1 ZINC000435056939 1089245789 /nfs/dbraw/zinc/24/57/89/1089245789.db2.gz JDYPTGIVTCEJLY-UHFFFAOYSA-N 2 2 373.541 4.370 20 0 FIADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC(F)(c4ccccc4)CC3)sc2C1 ZINC000435056939 1089245809 /nfs/dbraw/zinc/24/58/09/1089245809.db2.gz JDYPTGIVTCEJLY-UHFFFAOYSA-N 2 2 373.541 4.370 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000435136611 1089321791 /nfs/dbraw/zinc/32/17/91/1089321791.db2.gz FKVUIGHNGURTTQ-MJGOQNOKSA-N 2 2 364.493 4.155 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)CC[N@H+]1Cc1ccccc1 ZINC000435136611 1089321809 /nfs/dbraw/zinc/32/18/09/1089321809.db2.gz FKVUIGHNGURTTQ-MJGOQNOKSA-N 2 2 364.493 4.155 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)CC[NH+]1Cc1ccccc1 ZINC000435136611 1089321824 /nfs/dbraw/zinc/32/18/24/1089321824.db2.gz FKVUIGHNGURTTQ-MJGOQNOKSA-N 2 2 364.493 4.155 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)CC[NH+]1Cc1ccccc1 ZINC000435136611 1089321847 /nfs/dbraw/zinc/32/18/47/1089321847.db2.gz FKVUIGHNGURTTQ-MJGOQNOKSA-N 2 2 364.493 4.155 20 0 FIADLP Fc1ccc(/C=C\C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c(F)c1 ZINC000435388170 1089592446 /nfs/dbraw/zinc/59/24/46/1089592446.db2.gz DLQTYZXULRUOPA-FBQMEGEOSA-N 2 2 357.448 4.017 20 0 FIADLP Fc1ccc(/C=C\C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c(F)c1 ZINC000435388170 1089592462 /nfs/dbraw/zinc/59/24/62/1089592462.db2.gz DLQTYZXULRUOPA-FBQMEGEOSA-N 2 2 357.448 4.017 20 0 FIADLP CCn1ccnc1C[N@H+](Cc1ccc(Cl)c(C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435436832 1089661503 /nfs/dbraw/zinc/66/15/03/1089661503.db2.gz HLZFUTSFDHHIDD-LJQANCHMSA-N 2 2 372.944 4.009 20 0 FIADLP CCn1ccnc1C[N@@H+](Cc1ccc(Cl)c(C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435436832 1089661517 /nfs/dbraw/zinc/66/15/17/1089661517.db2.gz HLZFUTSFDHHIDD-LJQANCHMSA-N 2 2 372.944 4.009 20 0 FIADLP CCSc1cccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435439540 1089664787 /nfs/dbraw/zinc/66/47/87/1089664787.db2.gz SYPMMJZOYSTYSS-GOSISDBHSA-N 2 2 373.591 4.399 20 0 FIADLP CCSc1cccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435439540 1089664794 /nfs/dbraw/zinc/66/47/94/1089664794.db2.gz SYPMMJZOYSTYSS-GOSISDBHSA-N 2 2 373.591 4.399 20 0 FIADLP Cc1ncsc1C[N@@H+](Cc1ccc2ccccc2c1)C[C@@H]1CC[NH2+]C1 ZINC000435447001 1089672711 /nfs/dbraw/zinc/67/27/11/1089672711.db2.gz DTXFHTLJXPQCDL-GOSISDBHSA-N 2 2 351.519 4.216 20 0 FIADLP Cc1ncsc1C[N@H+](Cc1ccc2ccccc2c1)C[C@@H]1CC[NH2+]C1 ZINC000435447001 1089672719 /nfs/dbraw/zinc/67/27/19/1089672719.db2.gz DTXFHTLJXPQCDL-GOSISDBHSA-N 2 2 351.519 4.216 20 0 FIADLP c1cn(-c2ccc(C[NH2+][C@H]3c4ccccc4CC34CCOCC4)cc2)c[nH+]1 ZINC000377723776 1089739041 /nfs/dbraw/zinc/73/90/41/1089739041.db2.gz LIKBRAGWCRUUOT-QFIPXVFZSA-N 2 2 359.473 4.056 20 0 FIADLP CCC[C@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)[C@@H]1CC1(C)C ZINC000417354636 1090834805 /nfs/dbraw/zinc/83/48/05/1090834805.db2.gz ZUULBSJWDHPQQG-VXKWHMMOSA-N 2 2 371.569 4.414 20 0 FIADLP C[C@@H]([NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)c1ccncn1 ZINC000390557906 1091249802 /nfs/dbraw/zinc/24/98/02/1091249802.db2.gz JCABWRLFLAMJAC-HXUWFJFHSA-N 2 2 360.505 4.220 20 0 FIADLP c1[nH+]c(C2CC[NH+](Cc3nsc4ccccc43)CC2)n2c1CCCC2 ZINC000660437259 1091431434 /nfs/dbraw/zinc/43/14/34/1091431434.db2.gz WNSASGBQSTXATL-UHFFFAOYSA-N 2 2 352.507 4.209 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000511751894 1091616203 /nfs/dbraw/zinc/61/62/03/1091616203.db2.gz BCQYLWAOANJNQM-TZRRMPRUSA-N 2 2 373.500 4.185 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000511751894 1091616205 /nfs/dbraw/zinc/61/62/05/1091616205.db2.gz BCQYLWAOANJNQM-TZRRMPRUSA-N 2 2 373.500 4.185 20 0 FIADLP COC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000279656733 1091960504 /nfs/dbraw/zinc/96/05/04/1091960504.db2.gz CQGUBNUBQISEGK-HXUWFJFHSA-N 2 2 355.869 4.062 20 0 FIADLP Brc1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000236572506 1091986712 /nfs/dbraw/zinc/98/67/12/1091986712.db2.gz JGDKIQCKDAUWAU-UHFFFAOYSA-N 2 2 351.332 4.336 20 0 FIADLP CC1CC[NH+](CCC[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168011801 1092228936 /nfs/dbraw/zinc/22/89/36/1092228936.db2.gz SOLNAINOZJSUCL-SFTDATJTSA-N 3 2 357.586 4.140 20 0 FIADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(Br)ccc2Cl)CC1 ZINC000512449661 1092370127 /nfs/dbraw/zinc/37/01/27/1092370127.db2.gz JVRHSTOQXYTHME-UHFFFAOYSA-N 2 2 357.723 4.163 20 0 FIADLP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(Br)ccc2Cl)CC1 ZINC000512449661 1092370138 /nfs/dbraw/zinc/37/01/38/1092370138.db2.gz JVRHSTOQXYTHME-UHFFFAOYSA-N 2 2 357.723 4.163 20 0 FIADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000237409261 1092492133 /nfs/dbraw/zinc/49/21/33/1092492133.db2.gz NXMCUFJUSSGERL-GOSISDBHSA-N 2 2 365.521 4.003 20 0 FIADLP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000237531726 1092508118 /nfs/dbraw/zinc/50/81/18/1092508118.db2.gz NXMCUFJUSSGERL-SFHVURJKSA-N 2 2 365.521 4.003 20 0 FIADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000665276687 1092514456 /nfs/dbraw/zinc/51/44/56/1092514456.db2.gz KJGRACLFGISAFU-NAUIOFCNSA-N 2 2 352.322 4.127 20 0 FIADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000665276686 1092514941 /nfs/dbraw/zinc/51/49/41/1092514941.db2.gz KJGRACLFGISAFU-IPWFMCSPSA-N 2 2 352.322 4.127 20 0 FIADLP COC(=O)c1cc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)oc1C ZINC000432841092 1092588824 /nfs/dbraw/zinc/58/88/24/1092588824.db2.gz SMKXLDQPZZPHAF-KGLIPLIRSA-N 2 2 367.449 4.281 20 0 FIADLP CSc1ccccc1[C@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000442865029 1092809889 /nfs/dbraw/zinc/80/98/89/1092809889.db2.gz HJLNZLXLVOVGQG-DOTOQJQBSA-N 2 2 356.539 4.117 20 0 FIADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000442876476 1092831327 /nfs/dbraw/zinc/83/13/27/1092831327.db2.gz REUSBCPRVRQILU-PMACEKPBSA-N 2 2 358.574 4.082 20 0 FIADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000474039165 1092854924 /nfs/dbraw/zinc/85/49/24/1092854924.db2.gz VXVVDLLAQSUFEW-HXUWFJFHSA-N 2 2 351.494 4.071 20 0 FIADLP COc1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1O ZINC000521695266 1092862156 /nfs/dbraw/zinc/86/21/56/1092862156.db2.gz NSBNLLLBHPRCSH-XLIONFOSSA-N 2 2 365.477 4.306 20 0 FIADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CCC(F)(F)CC1 ZINC000474047829 1093141901 /nfs/dbraw/zinc/14/19/01/1093141901.db2.gz XSPIBKSZKUXCGH-OAHLLOKOSA-N 2 2 366.500 4.238 20 0 FIADLP C[C@@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000433078676 1093206470 /nfs/dbraw/zinc/20/64/70/1093206470.db2.gz SZAASOPNPBRYBY-FBHNJWQJSA-N 2 2 361.489 4.079 20 0 FIADLP C[C@@H]1CC([NH2+][C@@H]2COc3ccc(F)cc32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168023365 1093355857 /nfs/dbraw/zinc/35/58/57/1093355857.db2.gz VTZOWBMSYLXUOO-WHSLLNHNSA-N 2 2 354.469 4.290 20 0 FIADLP Cc1cnc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)s1 ZINC000433178263 1093389890 /nfs/dbraw/zinc/38/98/90/1093389890.db2.gz FLDCWQPSQYULAI-UHFFFAOYSA-N 2 2 352.507 4.325 20 0 FIADLP Cc1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)sc1Br ZINC000512844740 1093438001 /nfs/dbraw/zinc/43/80/01/1093438001.db2.gz PADJXUDEDLMWDQ-CYBMUJFWSA-N 2 2 366.328 4.148 20 0 FIADLP Cc1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)sc1Br ZINC000512844740 1093438006 /nfs/dbraw/zinc/43/80/06/1093438006.db2.gz PADJXUDEDLMWDQ-CYBMUJFWSA-N 2 2 366.328 4.148 20 0 FIADLP C[C@@H]1CC([NH2+][C@H]2COCc3ccccc32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168025873 1093443727 /nfs/dbraw/zinc/44/37/27/1093443727.db2.gz KDZWUWICMYUGNL-PNCHPQGNSA-N 2 2 350.506 4.289 20 0 FIADLP COc1ccc(C2CCC([NH2+]CC(C)(C)[NH+]3CCC(OC)CC3)CC2)cc1 ZINC000544358508 1093445027 /nfs/dbraw/zinc/44/50/27/1093445027.db2.gz BQVYRRSJSBZZIP-UHFFFAOYSA-N 2 2 374.569 4.200 20 0 FIADLP CC(C)[C@@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000474157673 1093504352 /nfs/dbraw/zinc/50/43/52/1093504352.db2.gz IPMQUONJNCNBQE-XMMPIXPASA-N 2 2 365.565 4.460 20 0 FIADLP CC(C)[C@@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000474157673 1093504358 /nfs/dbraw/zinc/50/43/58/1093504358.db2.gz IPMQUONJNCNBQE-XMMPIXPASA-N 2 2 365.565 4.460 20 0 FIADLP COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000509855037 1093538184 /nfs/dbraw/zinc/53/81/84/1093538184.db2.gz QDSJZEACKMCHQR-UYRXBGFRSA-N 2 2 361.489 4.271 20 0 FIADLP C[C@@H]1CC([NH2+]Cc2cncnc2C(C)(C)F)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168030466 1093580361 /nfs/dbraw/zinc/58/03/61/1093580361.db2.gz VWPYPZRPPYEAMO-IAGOWNOFSA-N 2 2 370.516 4.212 20 0 FIADLP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000513081384 1093783941 /nfs/dbraw/zinc/78/39/41/1093783941.db2.gz GAZJIVBWSXZMOZ-DZFGPLHGSA-N 2 2 367.518 4.375 20 0 FIADLP FC(F)(F)c1ccc(OCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000513269491 1094041979 /nfs/dbraw/zinc/04/19/79/1094041979.db2.gz WYDDGZDRPZISLG-UHFFFAOYSA-N 2 2 361.367 4.060 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(SC)cc2)[C@@H]1c1cnn(C)c1 ZINC000434020759 1094241475 /nfs/dbraw/zinc/24/14/75/1094241475.db2.gz HBVXWZFROYRYHW-GHTZIAJQSA-N 2 2 372.582 4.047 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(SC)cc2)[C@@H]1c1cnn(C)c1 ZINC000434020759 1094241480 /nfs/dbraw/zinc/24/14/80/1094241480.db2.gz HBVXWZFROYRYHW-GHTZIAJQSA-N 2 2 372.582 4.047 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(SC)cc2)[C@@H]1c1cnn(C)c1 ZINC000434020759 1094241485 /nfs/dbraw/zinc/24/14/85/1094241485.db2.gz HBVXWZFROYRYHW-GHTZIAJQSA-N 2 2 372.582 4.047 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(SC)cc2)[C@@H]1c1cnn(C)c1 ZINC000434020759 1094241492 /nfs/dbraw/zinc/24/14/92/1094241492.db2.gz HBVXWZFROYRYHW-GHTZIAJQSA-N 2 2 372.582 4.047 20 0 FIADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000280317910 1094324825 /nfs/dbraw/zinc/32/48/25/1094324825.db2.gz USKHWRKGNUIUFH-UHFFFAOYSA-N 2 2 374.488 4.236 20 0 FIADLP CC(C)COCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000501032969 1094430726 /nfs/dbraw/zinc/43/07/26/1094430726.db2.gz QOCUFUPICPYULE-UHFFFAOYSA-N 2 2 372.475 4.274 20 0 FIADLP CC(C)COCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000501032969 1094430729 /nfs/dbraw/zinc/43/07/29/1094430729.db2.gz QOCUFUPICPYULE-UHFFFAOYSA-N 2 2 372.475 4.274 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000116383253 1094477043 /nfs/dbraw/zinc/47/70/43/1094477043.db2.gz YKCQSKNEOBGOCU-AVRDEDQJSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000116383253 1094477052 /nfs/dbraw/zinc/47/70/52/1094477052.db2.gz YKCQSKNEOBGOCU-AVRDEDQJSA-N 2 2 361.489 4.342 20 0 FIADLP C[NH+](C)CC[C@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)C(C)(C)C ZINC000116397000 1094480737 /nfs/dbraw/zinc/48/07/37/1094480737.db2.gz KGUKZCCFHVZCID-NRFANRHFSA-N 2 2 367.537 4.248 20 0 FIADLP Cc1ccccc1-n1nccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000474727130 1094534705 /nfs/dbraw/zinc/53/47/05/1094534705.db2.gz JIWGNUGDYTXHHH-FQEVSTJZSA-N 2 2 374.532 4.496 20 0 FIADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCC(=O)Nc3ccccc31)C2 ZINC000329597844 1094990042 /nfs/dbraw/zinc/99/00/42/1094990042.db2.gz PNSUQEZETBCFTE-YOEHRIQHSA-N 2 2 352.482 4.208 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)CCc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000502025114 1095052763 /nfs/dbraw/zinc/05/27/63/1095052763.db2.gz CIGIJAYZGAMZTJ-IEIRFRATSA-N 2 2 368.569 4.146 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)CCc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000502025114 1095052776 /nfs/dbraw/zinc/05/27/76/1095052776.db2.gz CIGIJAYZGAMZTJ-IEIRFRATSA-N 2 2 368.569 4.146 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H](C)CCc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000502025114 1095052789 /nfs/dbraw/zinc/05/27/89/1095052789.db2.gz CIGIJAYZGAMZTJ-IEIRFRATSA-N 2 2 368.569 4.146 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H](C)CCc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000502025114 1095052802 /nfs/dbraw/zinc/05/28/02/1095052802.db2.gz CIGIJAYZGAMZTJ-IEIRFRATSA-N 2 2 368.569 4.146 20 0 FIADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000522545276 1095108711 /nfs/dbraw/zinc/10/87/11/1095108711.db2.gz KAUHOYODFPWNEE-LRDDRELGSA-N 2 2 374.356 4.276 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@@H]2C(C)=CCC[C@@H]2C)[C@@H]1c1cnn(C)c1 ZINC000443855050 1095110611 /nfs/dbraw/zinc/11/06/11/1095110611.db2.gz PEBUTDWSJCTVJG-SEIRJHJZSA-N 2 2 358.574 4.117 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@@H]2C(C)=CCC[C@@H]2C)[C@@H]1c1cnn(C)c1 ZINC000443855050 1095110613 /nfs/dbraw/zinc/11/06/13/1095110613.db2.gz PEBUTDWSJCTVJG-SEIRJHJZSA-N 2 2 358.574 4.117 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)[C@@H]1c1cnn(C)c1 ZINC000443855050 1095110619 /nfs/dbraw/zinc/11/06/19/1095110619.db2.gz PEBUTDWSJCTVJG-SEIRJHJZSA-N 2 2 358.574 4.117 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)[C@@H]1c1cnn(C)c1 ZINC000443855050 1095110622 /nfs/dbraw/zinc/11/06/22/1095110622.db2.gz PEBUTDWSJCTVJG-SEIRJHJZSA-N 2 2 358.574 4.117 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](CNc1cc[nH+]c3cc(Br)ccc13)CCC2 ZINC000443877033 1095140759 /nfs/dbraw/zinc/14/07/59/1095140759.db2.gz JDAZMWVRDJVKOD-CYBMUJFWSA-N 2 2 371.282 4.492 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](CNc1cc[nH+]c3cc(Br)ccc13)CCC2 ZINC000443877035 1095141460 /nfs/dbraw/zinc/14/14/60/1095141460.db2.gz JDAZMWVRDJVKOD-ZDUSSCGKSA-N 2 2 371.282 4.492 20 0 FIADLP Brc1ccc2c(c1)[nH+]ccc2N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000522566659 1095141594 /nfs/dbraw/zinc/14/15/94/1095141594.db2.gz NGVNCHJHIZCUMP-UHFFFAOYSA-N 2 2 357.255 4.104 20 0 FIADLP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502315135 1095365314 /nfs/dbraw/zinc/36/53/14/1095365314.db2.gz HCQZVZWBXKFLJM-AWEZNQCLSA-N 2 2 364.415 4.013 20 0 FIADLP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502315135 1095365330 /nfs/dbraw/zinc/36/53/30/1095365330.db2.gz HCQZVZWBXKFLJM-AWEZNQCLSA-N 2 2 364.415 4.013 20 0 FIADLP Fc1ccc2nc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)sc2c1 ZINC000502343441 1095379123 /nfs/dbraw/zinc/37/91/23/1095379123.db2.gz FBMSKWJKYLLMOM-CQSZACIVSA-N 2 2 370.497 4.348 20 0 FIADLP Fc1ccc2nc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)sc2c1 ZINC000502343441 1095379138 /nfs/dbraw/zinc/37/91/38/1095379138.db2.gz FBMSKWJKYLLMOM-CQSZACIVSA-N 2 2 370.497 4.348 20 0 FIADLP Cc1c(Cl)c(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)nn1C ZINC000421331972 1095548455 /nfs/dbraw/zinc/54/84/55/1095548455.db2.gz KRNYXQDZQHYGPI-HNNXBMFYSA-N 2 2 360.933 4.046 20 0 FIADLP Cc1c(Cl)c(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)nn1C ZINC000421331972 1095548474 /nfs/dbraw/zinc/54/84/74/1095548474.db2.gz KRNYXQDZQHYGPI-HNNXBMFYSA-N 2 2 360.933 4.046 20 0 FIADLP C[C@H]([NH2+]Cc1cnc(C(F)(F)F)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000444004945 1095601406 /nfs/dbraw/zinc/60/14/06/1095601406.db2.gz TYJSHPZAVOPMTA-ZFWWWQNUSA-N 2 2 369.456 4.162 20 0 FIADLP C[C@H]([NH2+]Cc1cnc(C(F)(F)F)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000444004945 1095601409 /nfs/dbraw/zinc/60/14/09/1095601409.db2.gz TYJSHPZAVOPMTA-ZFWWWQNUSA-N 2 2 369.456 4.162 20 0 FIADLP C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000444004944 1095602355 /nfs/dbraw/zinc/60/23/55/1095602355.db2.gz TYJSHPZAVOPMTA-UKRRQHHQSA-N 2 2 369.456 4.162 20 0 FIADLP C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000444004944 1095602363 /nfs/dbraw/zinc/60/23/63/1095602363.db2.gz TYJSHPZAVOPMTA-UKRRQHHQSA-N 2 2 369.456 4.162 20 0 FIADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000281664674 1095671777 /nfs/dbraw/zinc/67/17/77/1095671777.db2.gz QJLCVVLXMHBCJR-QVKFZJNVSA-N 2 2 369.484 4.032 20 0 FIADLP COc1ccc([C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C2CC2)c(F)c1 ZINC000421818564 1095953712 /nfs/dbraw/zinc/95/37/12/1095953712.db2.gz BLVXWXMKVKODCR-QFIPXVFZSA-N 2 2 365.452 4.320 20 0 FIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)c1ccccc1 ZINC000513761438 1095957138 /nfs/dbraw/zinc/95/71/38/1095957138.db2.gz NBHZVVHLUVECJV-PGRDOPGGSA-N 2 2 363.509 4.001 20 0 FIADLP C[C@H]([NH2+]C1(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CCOCC1)c1ccccc1 ZINC000503011212 1096000155 /nfs/dbraw/zinc/00/01/55/1096000155.db2.gz JGKXXYXZRAEWQX-PMOQBDJRSA-N 2 2 364.533 4.280 20 0 FIADLP C[C@H]([NH2+]C1(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCOCC1)c1ccccc1 ZINC000503011214 1096000629 /nfs/dbraw/zinc/00/06/29/1096000629.db2.gz JGKXXYXZRAEWQX-WWPVKYPJSA-N 2 2 364.533 4.280 20 0 FIADLP CCc1nc(C)c([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)s1 ZINC000272202490 1096164083 /nfs/dbraw/zinc/16/40/83/1096164083.db2.gz JFOSEXQHWBFQHY-CQSZACIVSA-N 2 2 373.570 4.112 20 0 FIADLP c1csc(-c2cnc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)o2)c1 ZINC000503412014 1096390526 /nfs/dbraw/zinc/39/05/26/1096390526.db2.gz SNCSQWDYHOVZHY-HNNXBMFYSA-N 2 2 368.506 4.316 20 0 FIADLP c1csc(-c2cnc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)o2)c1 ZINC000503412014 1096390538 /nfs/dbraw/zinc/39/05/38/1096390538.db2.gz SNCSQWDYHOVZHY-HNNXBMFYSA-N 2 2 368.506 4.316 20 0 FIADLP c1cc(-c2nc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cs2)co1 ZINC000503414605 1096391645 /nfs/dbraw/zinc/39/16/45/1096391645.db2.gz FWRQSFOPULPSSQ-HNNXBMFYSA-N 2 2 368.506 4.316 20 0 FIADLP c1cc(-c2nc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cs2)co1 ZINC000503414605 1096391651 /nfs/dbraw/zinc/39/16/51/1096391651.db2.gz FWRQSFOPULPSSQ-HNNXBMFYSA-N 2 2 368.506 4.316 20 0 FIADLP COCC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503428740 1096395781 /nfs/dbraw/zinc/39/57/81/1096395781.db2.gz HWXRJOBXUYDVNE-FPOVZHCZSA-N 2 2 353.510 4.177 20 0 FIADLP COCC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503428740 1096395794 /nfs/dbraw/zinc/39/57/94/1096395794.db2.gz HWXRJOBXUYDVNE-FPOVZHCZSA-N 2 2 353.510 4.177 20 0 FIADLP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1OC1CCCC1 ZINC000422703112 1096458498 /nfs/dbraw/zinc/45/84/98/1096458498.db2.gz HCQLXOQBNWCBQF-VQTJNVASSA-N 2 2 352.478 4.251 20 0 FIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)c2ccccc21 ZINC000422767122 1096485216 /nfs/dbraw/zinc/48/52/16/1096485216.db2.gz SQFHPRZCHDQSNK-BRWVUGGUSA-N 2 2 359.267 4.007 20 0 FIADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000422804677 1096496114 /nfs/dbraw/zinc/49/61/14/1096496114.db2.gz IDIHNZJSXUGMIP-WBMJQRKESA-N 2 2 369.456 4.307 20 0 FIADLP c1coc([C@@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc2)c1 ZINC000422965909 1096533882 /nfs/dbraw/zinc/53/38/82/1096533882.db2.gz QBWPMPZGLKZFIL-OIBXWCBGSA-N 2 2 360.457 4.215 20 0 FIADLP C[N@@H+]1CC[C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423023097 1096551180 /nfs/dbraw/zinc/55/11/80/1096551180.db2.gz IXTGCFWORMLNGO-AVQSHMDHSA-N 2 2 373.903 4.206 20 0 FIADLP C[N@H+]1CC[C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423023097 1096551190 /nfs/dbraw/zinc/55/11/90/1096551190.db2.gz IXTGCFWORMLNGO-AVQSHMDHSA-N 2 2 373.903 4.206 20 0 FIADLP CN1CC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423023097 1096551195 /nfs/dbraw/zinc/55/11/95/1096551195.db2.gz IXTGCFWORMLNGO-AVQSHMDHSA-N 2 2 373.903 4.206 20 0 FIADLP COCc1nc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c(-c2ccccc2)s1 ZINC000423097135 1096573805 /nfs/dbraw/zinc/57/38/05/1096573805.db2.gz IVZNPTSYDNLFBV-FUHWJXTLSA-N 2 2 373.566 4.357 20 0 FIADLP COCc1nc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c(-c2ccccc2)s1 ZINC000423097134 1096574428 /nfs/dbraw/zinc/57/44/28/1096574428.db2.gz IVZNPTSYDNLFBV-AEFFLSMTSA-N 2 2 373.566 4.357 20 0 FIADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CC2 ZINC000423182050 1096607903 /nfs/dbraw/zinc/60/79/03/1096607903.db2.gz DTBPHOMMWOENIC-QGZVFWFLSA-N 2 2 350.293 4.145 20 0 FIADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2Cl)cc1OC ZINC000423211285 1096608890 /nfs/dbraw/zinc/60/88/90/1096608890.db2.gz KTXAPAPQASAZHL-VFNWGFHPSA-N 2 2 374.912 4.036 20 0 FIADLP [NH3+][C@@H](C[NH2+][C@@H](c1ccc(Br)s1)C1CC1)c1ccccc1 ZINC000423250068 1096629878 /nfs/dbraw/zinc/62/98/78/1096629878.db2.gz ULUQYLASQRBONJ-XJKSGUPXSA-N 2 2 351.313 4.251 20 0 FIADLP C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423424676 1096670549 /nfs/dbraw/zinc/67/05/49/1096670549.db2.gz NJBACIVKHKDZGF-QRWLVFNGSA-N 2 2 362.477 4.408 20 0 FIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000423508983 1096702463 /nfs/dbraw/zinc/70/24/63/1096702463.db2.gz RIOUOFFWHBRQNU-KUHUBIRLSA-N 2 2 366.534 4.427 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)o2)cc1C ZINC000245743999 1098710134 /nfs/dbraw/zinc/71/01/34/1098710134.db2.gz XTQJFHMABXIUDP-IEZWGBDMSA-N 2 2 365.481 4.194 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)o2)cc1C ZINC000245743999 1098710149 /nfs/dbraw/zinc/71/01/49/1098710149.db2.gz XTQJFHMABXIUDP-IEZWGBDMSA-N 2 2 365.481 4.194 20 0 FIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)[nH+]1 ZINC000436275621 1098901189 /nfs/dbraw/zinc/90/11/89/1098901189.db2.gz PGLHTZKQASXVMG-DHIUTWEWSA-N 2 2 359.517 4.475 20 0 FIADLP Cc1ccc(OCCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000161539664 1099508360 /nfs/dbraw/zinc/50/83/60/1099508360.db2.gz DAOIIMBDXOYSAZ-NZQKXSOJSA-N 2 2 367.537 4.049 20 0 FIADLP Cc1ccc(OCCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000161539664 1099508372 /nfs/dbraw/zinc/50/83/72/1099508372.db2.gz DAOIIMBDXOYSAZ-NZQKXSOJSA-N 2 2 367.537 4.049 20 0 FIADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000437132412 1099628845 /nfs/dbraw/zinc/62/88/45/1099628845.db2.gz PQIHMMNHXFDBOG-OAQYLSRUSA-N 2 2 364.537 4.157 20 0 FIADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000437132412 1099628852 /nfs/dbraw/zinc/62/88/52/1099628852.db2.gz PQIHMMNHXFDBOG-OAQYLSRUSA-N 2 2 364.537 4.157 20 0 FIADLP COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@@H+]2CCc2c[nH+]cn2C)c1 ZINC000459403794 1100111501 /nfs/dbraw/zinc/11/15/01/1100111501.db2.gz GTBMINNGOKJJMU-GOTSBHOMSA-N 2 2 361.489 4.202 20 0 FIADLP COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@H+]2CCc2c[nH+]cn2C)c1 ZINC000459403794 1100111507 /nfs/dbraw/zinc/11/15/07/1100111507.db2.gz GTBMINNGOKJJMU-GOTSBHOMSA-N 2 2 361.489 4.202 20 0 FIADLP CC[N@@H+](Cc1ccnc2ccccc12)CC1CCN(c2cccc[nH+]2)CC1 ZINC000536663037 1100134404 /nfs/dbraw/zinc/13/44/04/1100134404.db2.gz SBNZUOVGSIVJFN-UHFFFAOYSA-N 2 2 360.505 4.368 20 0 FIADLP CC[N@H+](Cc1ccnc2ccccc12)CC1CCN(c2cccc[nH+]2)CC1 ZINC000536663037 1100134408 /nfs/dbraw/zinc/13/44/08/1100134408.db2.gz SBNZUOVGSIVJFN-UHFFFAOYSA-N 2 2 360.505 4.368 20 0 FIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000536694923 1100197720 /nfs/dbraw/zinc/19/77/20/1100197720.db2.gz CYUHTILDVDHXQX-GOSISDBHSA-N 2 2 353.485 4.051 20 0 FIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000536694923 1100197730 /nfs/dbraw/zinc/19/77/30/1100197730.db2.gz CYUHTILDVDHXQX-GOSISDBHSA-N 2 2 353.485 4.051 20 0 FIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000536694923 1100197741 /nfs/dbraw/zinc/19/77/41/1100197741.db2.gz CYUHTILDVDHXQX-GOSISDBHSA-N 2 2 353.485 4.051 20 0 FIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000536694923 1100197746 /nfs/dbraw/zinc/19/77/46/1100197746.db2.gz CYUHTILDVDHXQX-GOSISDBHSA-N 2 2 353.485 4.051 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379631068 1100244829 /nfs/dbraw/zinc/24/48/29/1100244829.db2.gz QYEMOVKZDNYGFE-KNQAVFIVSA-N 2 2 360.505 4.015 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000379631068 1100244840 /nfs/dbraw/zinc/24/48/40/1100244840.db2.gz QYEMOVKZDNYGFE-KNQAVFIVSA-N 2 2 360.505 4.015 20 0 FIADLP C[N@H+](CCCCCOc1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000437960746 1100326454 /nfs/dbraw/zinc/32/64/54/1100326454.db2.gz GSDVOFYXNPWEHQ-GMAHTHKFSA-N 2 2 367.537 4.256 20 0 FIADLP C[N@@H+](CCCCCOc1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000437960746 1100326465 /nfs/dbraw/zinc/32/64/65/1100326465.db2.gz GSDVOFYXNPWEHQ-GMAHTHKFSA-N 2 2 367.537 4.256 20 0 FIADLP C[NH+](CCCCCOc1ccccc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000437960746 1100326474 /nfs/dbraw/zinc/32/64/74/1100326474.db2.gz GSDVOFYXNPWEHQ-GMAHTHKFSA-N 2 2 367.537 4.256 20 0 FIADLP C[NH+](CCCCCOc1ccccc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000437960746 1100326488 /nfs/dbraw/zinc/32/64/88/1100326488.db2.gz GSDVOFYXNPWEHQ-GMAHTHKFSA-N 2 2 367.537 4.256 20 0 FIADLP Brc1ccc([C@@H]([NH2+]CCCNc2cccc[nH+]2)C2CC2)s1 ZINC000439140027 1101196523 /nfs/dbraw/zinc/19/65/23/1101196523.db2.gz HCCGZKCKCAQZSQ-INIZCTEOSA-N 2 2 366.328 4.449 20 0 FIADLP CC(C)c1nc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccn21 ZINC000518545235 1101286308 /nfs/dbraw/zinc/28/63/08/1101286308.db2.gz XXHJPRAXURICGR-UHFFFAOYSA-N 2 2 373.504 4.035 20 0 FIADLP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(Br)c(Cl)c2)CC1 ZINC000426366487 1101380738 /nfs/dbraw/zinc/38/07/38/1101380738.db2.gz RAVNOOYCLZIYLC-UHFFFAOYSA-N 2 2 357.723 4.163 20 0 FIADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(Br)c(Cl)c2)CC1 ZINC000426366487 1101380725 /nfs/dbraw/zinc/38/07/25/1101380725.db2.gz RAVNOOYCLZIYLC-UHFFFAOYSA-N 2 2 357.723 4.163 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(Cl)c(N)c(Cl)c1 ZINC000760155633 1101454408 /nfs/dbraw/zinc/45/44/08/1101454408.db2.gz HARHGJMNQDRZJP-LLVKDONJSA-N 2 2 353.297 4.002 20 0 FIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000178058944 1101514973 /nfs/dbraw/zinc/51/49/73/1101514973.db2.gz LQMCMCKEQKNITG-CVEARBPZSA-N 2 2 366.534 4.442 20 0 FIADLP Clc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1Br ZINC000537207507 1101542980 /nfs/dbraw/zinc/54/29/80/1101542980.db2.gz SGKQNZWXLAFZFI-UHFFFAOYSA-N 2 2 354.679 4.205 20 0 FIADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001168155295 1101589982 /nfs/dbraw/zinc/58/99/82/1101589982.db2.gz QKGHZUVCSCZQBK-PXAZEXFGSA-N 2 2 367.718 4.323 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666112539 1101599983 /nfs/dbraw/zinc/59/99/83/1101599983.db2.gz UBYZXNBZHVMNTD-OXJNMPFZSA-N 2 2 369.940 4.408 20 0 FIADLP C[C@@H]1C[C@@H]1C[N@H+](Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000518848375 1101636760 /nfs/dbraw/zinc/63/67/60/1101636760.db2.gz CUBHVXITGSNHKC-GDBMZVCRSA-N 2 2 351.332 4.001 20 0 FIADLP C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000518848375 1101636767 /nfs/dbraw/zinc/63/67/67/1101636767.db2.gz CUBHVXITGSNHKC-GDBMZVCRSA-N 2 2 351.332 4.001 20 0 FIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CC(C)(C)c4ccccc43)[nH+]c2)C1 ZINC000537455489 1101822150 /nfs/dbraw/zinc/82/21/50/1101822150.db2.gz DHYOSSOHEGRZRJ-YLJYHZDGSA-N 2 2 350.510 4.056 20 0 FIADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(OC)cc1 ZINC000537486558 1102169877 /nfs/dbraw/zinc/16/98/77/1102169877.db2.gz IQHAHJSBXQDKHJ-NRFANRHFSA-N 2 2 368.525 4.184 20 0 FIADLP Cc1ccc2c(c1)[C@@H](Nc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)CC2 ZINC000537487473 1102178704 /nfs/dbraw/zinc/17/87/04/1102178704.db2.gz UQXVFYKPBNZCRM-NRFANRHFSA-N 2 2 350.510 4.020 20 0 FIADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000415011828 1102249603 /nfs/dbraw/zinc/24/96/03/1102249603.db2.gz IKUNRONFNPMOTJ-VXGBXAGGSA-N 2 2 366.292 4.071 20 0 FIADLP FC(F)(F)c1cccc(OCCC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000111244332 1102492820 /nfs/dbraw/zinc/49/28/20/1102492820.db2.gz KJFDKTHTYYIZED-UHFFFAOYSA-N 2 2 353.388 4.008 20 0 FIADLP CC[N@H+](CCC(=O)c1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000122116415 1102525958 /nfs/dbraw/zinc/52/59/58/1102525958.db2.gz HJOSLPIKCYVMPW-UHFFFAOYSA-N 2 2 369.484 4.032 20 0 FIADLP CC[N@@H+](CCC(=O)c1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000122116415 1102525963 /nfs/dbraw/zinc/52/59/63/1102525963.db2.gz HJOSLPIKCYVMPW-UHFFFAOYSA-N 2 2 369.484 4.032 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000550856790 1102557828 /nfs/dbraw/zinc/55/78/28/1102557828.db2.gz WYNZUMZLTDMZTC-OXJNMPFZSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000550856790 1102557834 /nfs/dbraw/zinc/55/78/34/1102557834.db2.gz WYNZUMZLTDMZTC-OXJNMPFZSA-N 2 2 351.519 4.297 20 0 FIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(-c2ccccc2OC)cc1 ZINC000537688212 1102858119 /nfs/dbraw/zinc/85/81/19/1102858119.db2.gz NYUYCVSSIXSXOQ-RTWAWAEBSA-N 2 2 350.506 4.421 20 0 FIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(-c2ccccc2OC)cc1 ZINC000537688212 1102858134 /nfs/dbraw/zinc/85/81/34/1102858134.db2.gz NYUYCVSSIXSXOQ-RTWAWAEBSA-N 2 2 350.506 4.421 20 0 FIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2ccccc2OC)cc1 ZINC000537688212 1102858146 /nfs/dbraw/zinc/85/81/46/1102858146.db2.gz NYUYCVSSIXSXOQ-RTWAWAEBSA-N 2 2 350.506 4.421 20 0 FIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2ccccc2OC)cc1 ZINC000537688212 1102858160 /nfs/dbraw/zinc/85/81/60/1102858160.db2.gz NYUYCVSSIXSXOQ-RTWAWAEBSA-N 2 2 350.506 4.421 20 0 FIADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000608070989 1102896452 /nfs/dbraw/zinc/89/64/52/1102896452.db2.gz NXTXEAJAXQFUHH-UHFFFAOYSA-N 2 2 370.349 4.097 20 0 FIADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000459363044 1102924698 /nfs/dbraw/zinc/92/46/98/1102924698.db2.gz RFQGOVSWWDFGOC-HXUWFJFHSA-N 2 2 357.860 4.477 20 0 FIADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000459363044 1102924705 /nfs/dbraw/zinc/92/47/05/1102924705.db2.gz RFQGOVSWWDFGOC-HXUWFJFHSA-N 2 2 357.860 4.477 20 0 FIADLP FC(F)(F)Oc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000537697505 1102979785 /nfs/dbraw/zinc/97/97/85/1102979785.db2.gz RTRVDCGJIMJCJF-WMLDXEAASA-N 2 2 354.416 4.034 20 0 FIADLP FC(F)(F)Oc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000537697505 1102979786 /nfs/dbraw/zinc/97/97/86/1102979786.db2.gz RTRVDCGJIMJCJF-WMLDXEAASA-N 2 2 354.416 4.034 20 0 FIADLP FC(F)(F)Oc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000537697505 1102979791 /nfs/dbraw/zinc/97/97/91/1102979791.db2.gz RTRVDCGJIMJCJF-WMLDXEAASA-N 2 2 354.416 4.034 20 0 FIADLP FC(F)(F)Oc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000537697505 1102979794 /nfs/dbraw/zinc/97/97/94/1102979794.db2.gz RTRVDCGJIMJCJF-WMLDXEAASA-N 2 2 354.416 4.034 20 0 FIADLP FC(F)(F)Oc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000537697508 1102979991 /nfs/dbraw/zinc/97/99/91/1102979991.db2.gz RTRVDCGJIMJCJF-YOEHRIQHSA-N 2 2 354.416 4.034 20 0 FIADLP FC(F)(F)Oc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000537697508 1102979993 /nfs/dbraw/zinc/97/99/93/1102979993.db2.gz RTRVDCGJIMJCJF-YOEHRIQHSA-N 2 2 354.416 4.034 20 0 FIADLP FC(F)(F)Oc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000537697508 1102979994 /nfs/dbraw/zinc/97/99/94/1102979994.db2.gz RTRVDCGJIMJCJF-YOEHRIQHSA-N 2 2 354.416 4.034 20 0 FIADLP FC(F)(F)Oc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000537697508 1102979996 /nfs/dbraw/zinc/97/99/96/1102979996.db2.gz RTRVDCGJIMJCJF-YOEHRIQHSA-N 2 2 354.416 4.034 20 0 FIADLP c1ccc(C[NH+](Cc2ccncc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167985687 1103405188 /nfs/dbraw/zinc/40/51/88/1103405188.db2.gz ZDCHPEJMDMITCI-VSGJHWFKSA-N 2 2 361.533 4.489 20 0 FIADLP c1ccc(C[NH+](Cc2ccncc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167985687 1103405196 /nfs/dbraw/zinc/40/51/96/1103405196.db2.gz ZDCHPEJMDMITCI-VSGJHWFKSA-N 2 2 361.533 4.489 20 0 FIADLP c1ccc(C[N@H+](Cc2ccncc2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167985687 1103405200 /nfs/dbraw/zinc/40/52/00/1103405200.db2.gz ZDCHPEJMDMITCI-VSGJHWFKSA-N 2 2 361.533 4.489 20 0 FIADLP c1ccc(C[N@@H+](Cc2ccncc2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167985687 1103405216 /nfs/dbraw/zinc/40/52/16/1103405216.db2.gz ZDCHPEJMDMITCI-VSGJHWFKSA-N 2 2 361.533 4.489 20 0 FIADLP CC[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1ccccc1C ZINC000507520273 1103463755 /nfs/dbraw/zinc/46/37/55/1103463755.db2.gz OSANWEIFHPBZDX-KRWDZBQOSA-N 2 2 358.448 4.159 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000507523792 1103469376 /nfs/dbraw/zinc/46/93/76/1103469376.db2.gz IPBGUICLXHQMQQ-OLZOCXBDSA-N 2 2 360.386 4.362 20 0 FIADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551712888 1103552188 /nfs/dbraw/zinc/55/21/88/1103552188.db2.gz SVFDDFCJLXJMGT-UHFFFAOYSA-N 2 2 365.321 4.361 20 0 FIADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551712888 1103552204 /nfs/dbraw/zinc/55/22/04/1103552204.db2.gz SVFDDFCJLXJMGT-UHFFFAOYSA-N 2 2 365.321 4.361 20 0 FIADLP Clc1ccc(-c2ncc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)s2)cc1 ZINC000551807305 1103663125 /nfs/dbraw/zinc/66/31/25/1103663125.db2.gz FGAVOSPNCPXXTN-OAHLLOKOSA-N 2 2 361.942 4.381 20 0 FIADLP Clc1ccc(-c2ncc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)s2)cc1 ZINC000551807305 1103663139 /nfs/dbraw/zinc/66/31/39/1103663139.db2.gz FGAVOSPNCPXXTN-OAHLLOKOSA-N 2 2 361.942 4.381 20 0 FIADLP Cc1ccc(Br)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000190298264 1104891407 /nfs/dbraw/zinc/89/14/07/1104891407.db2.gz YEPQESRODSVCQS-UHFFFAOYSA-N 2 2 356.267 4.233 20 0 FIADLP Cc1ccc2sc(C[N@@H+]3CCC[C@@H]3CNc3cccc(C)[nH+]3)nc2c1 ZINC001168007610 1105135932 /nfs/dbraw/zinc/13/59/32/1105135932.db2.gz FCYACXBCXDVGJT-MRXNPFEDSA-N 2 2 352.507 4.385 20 0 FIADLP Cc1ccc2sc(C[N@H+]3CCC[C@@H]3CNc3cccc(C)[nH+]3)nc2c1 ZINC001168007610 1105135937 /nfs/dbraw/zinc/13/59/37/1105135937.db2.gz FCYACXBCXDVGJT-MRXNPFEDSA-N 2 2 352.507 4.385 20 0 FIADLP CCOc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2)cc1 ZINC000247254953 1105207688 /nfs/dbraw/zinc/20/76/88/1105207688.db2.gz ZZQRIEBAYDNFKF-FUPPJEDESA-N 2 2 350.506 4.391 20 0 FIADLP CCOc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2)cc1 ZINC000247254953 1105207690 /nfs/dbraw/zinc/20/76/90/1105207690.db2.gz ZZQRIEBAYDNFKF-FUPPJEDESA-N 2 2 350.506 4.391 20 0 FIADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000507866916 1105248766 /nfs/dbraw/zinc/24/87/66/1105248766.db2.gz VGXVSQUSZZBIGQ-OAQYLSRUSA-N 2 2 356.460 4.249 20 0 FIADLP COc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2Cl)cc1 ZINC000427871242 1105305783 /nfs/dbraw/zinc/30/57/83/1105305783.db2.gz ZSBOBGRGQMKIKX-IIBYNOLFSA-N 2 2 367.880 4.239 20 0 FIADLP C/C(=C\c1ccccc1)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475352148 1106745566 /nfs/dbraw/zinc/74/55/66/1106745566.db2.gz ITMKAMCEGYBMRG-RVDMUPIBSA-N 2 2 352.444 4.485 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167978713 1106902933 /nfs/dbraw/zinc/90/29/33/1106902933.db2.gz XQTYMLUGLSPARW-BEFAXECRSA-N 2 2 364.497 4.081 20 0 FIADLP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccc1)c1ccccc1Br ZINC000530354844 1106982279 /nfs/dbraw/zinc/98/22/79/1106982279.db2.gz OCGIQUXKJHCDSL-LJQANCHMSA-N 2 2 370.294 4.104 20 0 FIADLP Cc1[nH+]ccn1CCCCNc1cc[nH+]c2cc(Br)ccc12 ZINC000301445395 1107033299 /nfs/dbraw/zinc/03/32/99/1107033299.db2.gz VJPGOXLXRDSALC-UHFFFAOYSA-N 2 2 359.271 4.395 20 0 FIADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000531430342 1107875084 /nfs/dbraw/zinc/87/50/84/1107875084.db2.gz ZJEOHOBDZVOGIU-SJLPKXTDSA-N 2 2 358.555 4.195 20 0 FIADLP C[C@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444545608 1107981551 /nfs/dbraw/zinc/98/15/51/1107981551.db2.gz LNDZJDTZLYWYFY-IXDOHACOSA-N 2 2 366.509 4.086 20 0 FIADLP C[C@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444545608 1107981554 /nfs/dbraw/zinc/98/15/54/1107981554.db2.gz LNDZJDTZLYWYFY-IXDOHACOSA-N 2 2 366.509 4.086 20 0 FIADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2nc(C3CCCCC3)cs2)CC1 ZINC000444627356 1108037582 /nfs/dbraw/zinc/03/75/82/1108037582.db2.gz XWWYAAXROQWUQU-UHFFFAOYSA-N 2 2 358.555 4.379 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531686606 1108074137 /nfs/dbraw/zinc/07/41/37/1108074137.db2.gz SJAGMFZQLZTWLY-CVDCTZTESA-N 2 2 365.565 4.422 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531686606 1108074149 /nfs/dbraw/zinc/07/41/49/1108074149.db2.gz SJAGMFZQLZTWLY-CVDCTZTESA-N 2 2 365.565 4.422 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ncc(-c2ccccc2)n1C ZINC000453202690 1108273436 /nfs/dbraw/zinc/27/34/36/1108273436.db2.gz ZHKMHFJHZNCHOD-BJLQDIEVSA-N 2 2 366.553 4.391 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ncc(-c2ccccc2)n1C ZINC000453202690 1108273449 /nfs/dbraw/zinc/27/34/49/1108273449.db2.gz ZHKMHFJHZNCHOD-BJLQDIEVSA-N 2 2 366.553 4.391 20 0 FIADLP Clc1ccccc1C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000453205878 1108276652 /nfs/dbraw/zinc/27/66/52/1108276652.db2.gz TXUNXMNLIDVGLG-SJLPKXTDSA-N 2 2 357.910 4.486 20 0 FIADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)CC2 ZINC000453232077 1108305941 /nfs/dbraw/zinc/30/59/41/1108305941.db2.gz JBHUCXKCQWSTJE-LJQANCHMSA-N 2 2 353.853 4.311 20 0 FIADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)CC2 ZINC000453232074 1108306564 /nfs/dbraw/zinc/30/65/64/1108306564.db2.gz JBHUCXKCQWSTJE-IBGZPJMESA-N 2 2 353.853 4.311 20 0 FIADLP CCc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)o1 ZINC000453231079 1108306767 /nfs/dbraw/zinc/30/67/67/1108306767.db2.gz GQZMJCWHRBPELH-XUVXKRRUSA-N 2 2 353.510 4.078 20 0 FIADLP CCc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)o1 ZINC000453231079 1108306779 /nfs/dbraw/zinc/30/67/79/1108306779.db2.gz GQZMJCWHRBPELH-XUVXKRRUSA-N 2 2 353.510 4.078 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453250751 1108323908 /nfs/dbraw/zinc/32/39/08/1108323908.db2.gz YXNSIOYEABEDOD-UZQPLGKSSA-N 2 2 371.475 4.237 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453250751 1108323925 /nfs/dbraw/zinc/32/39/25/1108323925.db2.gz YXNSIOYEABEDOD-UZQPLGKSSA-N 2 2 371.475 4.237 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H]3C(C)(C)C)CC2)cc1 ZINC000453320332 1108410428 /nfs/dbraw/zinc/41/04/28/1108410428.db2.gz FIULVZOQRCYRAJ-RTWAWAEBSA-N 2 2 357.542 4.024 20 0 FIADLP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453321895 1108414109 /nfs/dbraw/zinc/41/41/09/1108414109.db2.gz HSSNZCGFHAKIJO-WGGBDISSSA-N 2 2 371.569 4.414 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000453323242 1108416553 /nfs/dbraw/zinc/41/65/53/1108416553.db2.gz JEHBJBUEBKDIRI-MRXNPFEDSA-N 2 2 369.484 4.099 20 0 FIADLP CCC[C@@H](C)[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453332790 1108424080 /nfs/dbraw/zinc/42/40/80/1108424080.db2.gz VPOUQTGDTXHJJD-VGOFRKELSA-N 2 2 359.558 4.414 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000524457866 1109020827 /nfs/dbraw/zinc/02/08/27/1109020827.db2.gz HQPHRQXXBJTEAP-QFIPXVFZSA-N 2 2 360.505 4.139 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000524457866 1109020829 /nfs/dbraw/zinc/02/08/29/1109020829.db2.gz HQPHRQXXBJTEAP-QFIPXVFZSA-N 2 2 360.505 4.139 20 0 FIADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000525267408 1109324735 /nfs/dbraw/zinc/32/47/35/1109324735.db2.gz NUKXIIGCCXJROT-NVXWUHKLSA-N 2 2 370.368 4.155 20 0 FIADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000525267408 1109324740 /nfs/dbraw/zinc/32/47/40/1109324740.db2.gz NUKXIIGCCXJROT-NVXWUHKLSA-N 2 2 370.368 4.155 20 0 FIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Br)cc1F ZINC000446928897 1109392926 /nfs/dbraw/zinc/39/29/26/1109392926.db2.gz HNSWPPFTXWRQSW-GFCCVEGCSA-N 2 2 352.251 4.136 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000447092806 1109440911 /nfs/dbraw/zinc/44/09/11/1109440911.db2.gz DGNDMERIDITOBP-UHFFFAOYSA-N 2 2 352.478 4.222 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447308651 1109501592 /nfs/dbraw/zinc/50/15/92/1109501592.db2.gz GNMGBJWZZPFCLP-HNNXBMFYSA-N 2 2 352.309 4.224 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447308651 1109501595 /nfs/dbraw/zinc/50/15/95/1109501595.db2.gz GNMGBJWZZPFCLP-HNNXBMFYSA-N 2 2 352.309 4.224 20 0 FIADLP CC[N@@H+](Cc1cc(C)ccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000525781119 1109517000 /nfs/dbraw/zinc/51/70/00/1109517000.db2.gz UFGKSSPUNNUYGW-UHFFFAOYSA-N 2 2 353.510 4.137 20 0 FIADLP CC[N@H+](Cc1cc(C)ccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000525781119 1109517004 /nfs/dbraw/zinc/51/70/04/1109517004.db2.gz UFGKSSPUNNUYGW-UHFFFAOYSA-N 2 2 353.510 4.137 20 0 FIADLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1csc(Cl)c1 ZINC000526049268 1109603927 /nfs/dbraw/zinc/60/39/27/1109603927.db2.gz XHHGMUVENXZKLF-YJBOKZPZSA-N 2 2 363.958 4.041 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448034532 1109702002 /nfs/dbraw/zinc/70/20/02/1109702002.db2.gz JIAGMCABNRREJS-YLJYHZDGSA-N 2 2 359.558 4.237 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448034532 1109702004 /nfs/dbraw/zinc/70/20/04/1109702004.db2.gz JIAGMCABNRREJS-YLJYHZDGSA-N 2 2 359.558 4.237 20 0 FIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccnc(C)c2)cc1 ZINC000527538723 1109778293 /nfs/dbraw/zinc/77/82/93/1109778293.db2.gz LIFFERPRBBSQBB-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccnc(C)c2)cc1 ZINC000527538723 1109778299 /nfs/dbraw/zinc/77/82/99/1109778299.db2.gz LIFFERPRBBSQBB-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)c(Br)cc1F ZINC000527750589 1109821115 /nfs/dbraw/zinc/82/11/15/1109821115.db2.gz AOJXAOHTFHUAFS-QJPTWQEYSA-N 2 2 359.258 4.005 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)c(Br)cc1F ZINC000527750589 1109821119 /nfs/dbraw/zinc/82/11/19/1109821119.db2.gz AOJXAOHTFHUAFS-QJPTWQEYSA-N 2 2 359.258 4.005 20 0 FIADLP c1nc(CCc2ccccc2)sc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000449026180 1109958751 /nfs/dbraw/zinc/95/87/51/1109958751.db2.gz FIJHXUOTALQIGJ-HXUWFJFHSA-N 2 2 369.578 4.379 20 0 FIADLP c1nc(CCc2ccccc2)sc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000449026180 1109958753 /nfs/dbraw/zinc/95/87/53/1109958753.db2.gz FIJHXUOTALQIGJ-HXUWFJFHSA-N 2 2 369.578 4.379 20 0 FIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449038417 1109962500 /nfs/dbraw/zinc/96/25/00/1109962500.db2.gz ULGXVTLBWYYKGZ-AWEZNQCLSA-N 2 2 365.493 4.252 20 0 FIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449038417 1109962503 /nfs/dbraw/zinc/96/25/03/1109962503.db2.gz ULGXVTLBWYYKGZ-AWEZNQCLSA-N 2 2 365.493 4.252 20 0 FIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449038417 1109962504 /nfs/dbraw/zinc/96/25/04/1109962504.db2.gz ULGXVTLBWYYKGZ-AWEZNQCLSA-N 2 2 365.493 4.252 20 0 FIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449038417 1109962506 /nfs/dbraw/zinc/96/25/06/1109962506.db2.gz ULGXVTLBWYYKGZ-AWEZNQCLSA-N 2 2 365.493 4.252 20 0 FIADLP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000449070799 1109972374 /nfs/dbraw/zinc/97/23/74/1109972374.db2.gz LKRNDJRGAHGQOB-XMSQKQJNSA-N 2 2 371.594 4.036 20 0 FIADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](c2ccsc2)N(C)C)CC1 ZINC000449070799 1109972375 /nfs/dbraw/zinc/97/23/75/1109972375.db2.gz LKRNDJRGAHGQOB-XMSQKQJNSA-N 2 2 371.594 4.036 20 0 FIADLP C[C@H](C[NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cc(F)cc(F)c1 ZINC000449072806 1109972832 /nfs/dbraw/zinc/97/28/32/1109972832.db2.gz LLGBQRQAXIGEHK-MRXNPFEDSA-N 2 2 355.432 4.145 20 0 FIADLP Fc1ccccc1-c1ncc(C[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC000449123501 1109980760 /nfs/dbraw/zinc/98/07/60/1109980760.db2.gz NEXXTZSOLICYMZ-UHFFFAOYSA-N 2 2 356.470 4.326 20 0 FIADLP COc1cc(F)cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000449189264 1109991401 /nfs/dbraw/zinc/99/14/01/1109991401.db2.gz MCRRWTWALRQSII-NRFANRHFSA-N 2 2 353.441 4.179 20 0 FIADLP COCC[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)c1ccco1 ZINC000449229887 1110003679 /nfs/dbraw/zinc/00/36/79/1110003679.db2.gz FTXWZGUJXFTFOP-NQIIRXRSSA-N 2 2 356.510 4.042 20 0 FIADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)c(OC)c1 ZINC000528671504 1110080378 /nfs/dbraw/zinc/08/03/78/1110080378.db2.gz YEJHKEHVLMOGHE-INIZCTEOSA-N 2 2 351.450 4.049 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC(C)(C)C[C@@H]3C)CC2)cc1 ZINC000449519903 1110097450 /nfs/dbraw/zinc/09/74/50/1110097450.db2.gz CLENQAQOAJUSEK-HRAATJIYSA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C)[C@@H](C)C3)CC2)cc1 ZINC000449526681 1110099245 /nfs/dbraw/zinc/09/92/45/1110099245.db2.gz XIJOZXZAFUUPLQ-HYFFOGBASA-N 2 2 357.542 4.024 20 0 FIADLP Cc1nc(C(C)C)sc1[C@@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000538559216 1111193485 /nfs/dbraw/zinc/19/34/85/1111193485.db2.gz VCZNEDOJLMOAIY-PBHICJAKSA-N 2 2 373.570 4.283 20 0 FIADLP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539065117 1111414730 /nfs/dbraw/zinc/41/47/30/1111414730.db2.gz HLSBZEPAVRNLPE-MRUHUIDDSA-N 2 2 353.441 4.438 20 0 FIADLP C[NH+](C)[C@]1(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CCSC1 ZINC000539218490 1111479430 /nfs/dbraw/zinc/47/94/30/1111479430.db2.gz VYZUAAOGFQUABT-IRXDYDNUSA-N 2 2 358.473 4.183 20 0 FIADLP CC(C)CC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccoc1 ZINC000552067790 1111565014 /nfs/dbraw/zinc/56/50/14/1111565014.db2.gz YDDNMKNXOLACLG-UXHICEINSA-N 2 2 356.514 4.404 20 0 FIADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000552275398 1111656044 /nfs/dbraw/zinc/65/60/44/1111656044.db2.gz UXXGWICJGYKTJQ-SJORKVTESA-N 2 2 373.491 4.496 20 0 FIADLP C[N@@H+]1CC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@@H]2CCC[C@@H]21 ZINC000552276685 1111656776 /nfs/dbraw/zinc/65/67/76/1111656776.db2.gz HBKQZYSUGHIQBA-ACRUOGEOSA-N 2 2 350.510 4.171 20 0 FIADLP C[N@H+]1CC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@@H]2CCC[C@@H]21 ZINC000552276685 1111656781 /nfs/dbraw/zinc/65/67/81/1111656781.db2.gz HBKQZYSUGHIQBA-ACRUOGEOSA-N 2 2 350.510 4.171 20 0 FIADLP Brc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000479356112 1111997554 /nfs/dbraw/zinc/99/75/54/1111997554.db2.gz VTONSJLFGZWWML-GOSISDBHSA-N 2 2 374.326 4.192 20 0 FIADLP Brc1ccc2oc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000667533520 1112101912 /nfs/dbraw/zinc/10/19/12/1112101912.db2.gz VHDRYEPIEYUKSM-GFCCVEGCSA-N 2 2 360.255 4.298 20 0 FIADLP Brc1ccc2oc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000667533520 1112101916 /nfs/dbraw/zinc/10/19/16/1112101916.db2.gz VHDRYEPIEYUKSM-GFCCVEGCSA-N 2 2 360.255 4.298 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccsc2S1 ZINC000479919728 1112190142 /nfs/dbraw/zinc/19/01/42/1112190142.db2.gz ZYIWIZHBBCVNPH-KXBFYZLASA-N 2 2 374.575 4.296 20 0 FIADLP C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480071343 1112269012 /nfs/dbraw/zinc/26/90/12/1112269012.db2.gz ONNZRZLCCAZZEI-HRAATJIYSA-N 2 2 368.912 4.479 20 0 FIADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(Cl)cc1 ZINC000554267800 1112275074 /nfs/dbraw/zinc/27/50/74/1112275074.db2.gz GKBKBDPDBDHSRO-HNNXBMFYSA-N 2 2 358.917 4.439 20 0 FIADLP COc1cc([C@H](C)[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c(F)cn1 ZINC000554345271 1112307731 /nfs/dbraw/zinc/30/77/31/1112307731.db2.gz JKQZRUWZEDMHTC-ULQDDVLXSA-N 2 2 371.500 4.037 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@@H]1C ZINC000667664288 1112394949 /nfs/dbraw/zinc/39/49/49/1112394949.db2.gz HPQJNSKXAXOQOY-QFBILLFUSA-N 2 2 357.473 4.318 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@@H]1C ZINC000667664288 1112394955 /nfs/dbraw/zinc/39/49/55/1112394955.db2.gz HPQJNSKXAXOQOY-QFBILLFUSA-N 2 2 357.473 4.318 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@@H]1C ZINC000667664288 1112394964 /nfs/dbraw/zinc/39/49/64/1112394964.db2.gz HPQJNSKXAXOQOY-QFBILLFUSA-N 2 2 357.473 4.318 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@@H]1C ZINC000667664288 1112394969 /nfs/dbraw/zinc/39/49/69/1112394969.db2.gz HPQJNSKXAXOQOY-QFBILLFUSA-N 2 2 357.473 4.318 20 0 FIADLP Brc1cccc2c(N3CCC(c4[nH]cc[nH+]4)CC3)cc[nH+]c12 ZINC000480474668 1112443778 /nfs/dbraw/zinc/44/37/78/1112443778.db2.gz BJWUJAAETUJJMT-UHFFFAOYSA-N 2 2 357.255 4.104 20 0 FIADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000480549246 1112471270 /nfs/dbraw/zinc/47/12/70/1112471270.db2.gz HKLVTHJHJZBYOC-HXUWFJFHSA-N 2 2 371.500 4.106 20 0 FIADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000480549246 1112471273 /nfs/dbraw/zinc/47/12/73/1112471273.db2.gz HKLVTHJHJZBYOC-HXUWFJFHSA-N 2 2 371.500 4.106 20 0 FIADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000480549246 1112471275 /nfs/dbraw/zinc/47/12/75/1112471275.db2.gz HKLVTHJHJZBYOC-HXUWFJFHSA-N 2 2 371.500 4.106 20 0 FIADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000480549246 1112471279 /nfs/dbraw/zinc/47/12/79/1112471279.db2.gz HKLVTHJHJZBYOC-HXUWFJFHSA-N 2 2 371.500 4.106 20 0 FIADLP Cn1cc(-c2ccc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)s2)cn1 ZINC000554883887 1112553220 /nfs/dbraw/zinc/55/32/20/1112553220.db2.gz FRXURRKVJJBXOD-UHFFFAOYSA-N 2 2 369.538 4.038 20 0 FIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000480761512 1112591842 /nfs/dbraw/zinc/59/18/42/1112591842.db2.gz SNGSFZZCMKYHKL-BBRMVZONSA-N 2 2 356.470 4.201 20 0 FIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OCC(F)(F)F)cc1 ZINC000480773412 1112598352 /nfs/dbraw/zinc/59/83/52/1112598352.db2.gz SZGFKNUVMYCUHB-AWEZNQCLSA-N 2 2 367.415 4.054 20 0 FIADLP Cc1[nH]c2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2c1C ZINC000481413133 1112929688 /nfs/dbraw/zinc/92/96/88/1112929688.db2.gz ALOYDWABGYGLKO-AOMKIAJQSA-N 2 2 362.521 4.180 20 0 FIADLP Cc1[nH]c2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2c1C ZINC000481413133 1112929691 /nfs/dbraw/zinc/92/96/91/1112929691.db2.gz ALOYDWABGYGLKO-AOMKIAJQSA-N 2 2 362.521 4.180 20 0 FIADLP CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000481417063 1112935929 /nfs/dbraw/zinc/93/59/29/1112935929.db2.gz ZWFWNKARGVUADU-FOIQADDNSA-N 2 2 355.869 4.392 20 0 FIADLP Cc1[nH+]ccn1CC[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000481615044 1112997409 /nfs/dbraw/zinc/99/74/09/1112997409.db2.gz XOSGVHALJCEFIH-UHFFFAOYSA-N 2 2 367.415 4.001 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481931755 1113138890 /nfs/dbraw/zinc/13/88/90/1113138890.db2.gz KPKBMXOODJRXAT-HNNXBMFYSA-N 2 2 372.475 4.115 20 0 FIADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000481977156 1113143966 /nfs/dbraw/zinc/14/39/66/1113143966.db2.gz XCRXFDXYMUKAAE-AWEZNQCLSA-N 2 2 354.922 4.272 20 0 FIADLP C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000482251863 1113211378 /nfs/dbraw/zinc/21/13/78/1113211378.db2.gz FZTZYMWAVWMCSV-INIZCTEOSA-N 2 2 366.534 4.491 20 0 FIADLP Fc1ccccc1[C@@H](F)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668139445 1113379219 /nfs/dbraw/zinc/37/92/19/1113379219.db2.gz ACPSNFXOIBTFKC-NRFANRHFSA-N 2 2 368.431 4.329 20 0 FIADLP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000483113799 1113445726 /nfs/dbraw/zinc/44/57/26/1113445726.db2.gz CFKFWSCKUGWBIU-UGKGYDQZSA-N 2 2 368.521 4.027 20 0 FIADLP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000483113799 1113445727 /nfs/dbraw/zinc/44/57/27/1113445727.db2.gz CFKFWSCKUGWBIU-UGKGYDQZSA-N 2 2 368.521 4.027 20 0 FIADLP Brc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000483131595 1113449908 /nfs/dbraw/zinc/44/99/08/1113449908.db2.gz BLFSJQSEROOMFX-LJQANCHMSA-N 2 2 368.278 4.412 20 0 FIADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000483220853 1113467932 /nfs/dbraw/zinc/46/79/32/1113467932.db2.gz PTLCAAGOUVQOHF-HOCLYGCPSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000483220853 1113467933 /nfs/dbraw/zinc/46/79/33/1113467933.db2.gz PTLCAAGOUVQOHF-HOCLYGCPSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@@H](c1cccc(Br)c1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000483220853 1113467935 /nfs/dbraw/zinc/46/79/35/1113467935.db2.gz PTLCAAGOUVQOHF-HOCLYGCPSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@@H](c1cccc(Br)c1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000483220853 1113467936 /nfs/dbraw/zinc/46/79/36/1113467936.db2.gz PTLCAAGOUVQOHF-HOCLYGCPSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486475178 1113576247 /nfs/dbraw/zinc/57/62/47/1113576247.db2.gz JPXNIEDTWVXRIU-GHTZIAJQSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486475178 1113576251 /nfs/dbraw/zinc/57/62/51/1113576251.db2.gz JPXNIEDTWVXRIU-GHTZIAJQSA-N 2 2 361.489 4.342 20 0 FIADLP c1[nH+]c(C2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)n2c1CCCC2 ZINC000570268542 1114006474 /nfs/dbraw/zinc/00/64/74/1114006474.db2.gz IYEQFSFSPIHPRP-UHFFFAOYSA-N 2 2 373.504 4.056 20 0 FIADLP Fc1ccc(C([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccc(F)cc2)cc1 ZINC000490131337 1114221957 /nfs/dbraw/zinc/22/19/57/1114221957.db2.gz VYKOAEGANXHJHO-UHFFFAOYSA-N 2 2 367.443 4.419 20 0 FIADLP CC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1nc(C)cs1 ZINC000150996086 1114261287 /nfs/dbraw/zinc/26/12/87/1114261287.db2.gz WHSSKPOMECCSSX-LJQANCHMSA-N 2 2 358.555 4.227 20 0 FIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988785 1114360163 /nfs/dbraw/zinc/36/01/63/1114360163.db2.gz QKDXIKNXFZPQDW-SPYBWZPUSA-N 2 2 370.368 4.012 20 0 FIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988785 1114360167 /nfs/dbraw/zinc/36/01/67/1114360167.db2.gz QKDXIKNXFZPQDW-SPYBWZPUSA-N 2 2 370.368 4.012 20 0 FIADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)c2nnc(C)s2)ccc1OC ZINC000760880995 1115120752 /nfs/dbraw/zinc/12/07/52/1115120752.db2.gz KZONWDGOVPHTTD-KGLIPLIRSA-N 2 2 362.543 4.109 20 0 FIADLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000574337293 1115342820 /nfs/dbraw/zinc/34/28/20/1115342820.db2.gz POKVUDJXNCTCHU-UHFFFAOYSA-N 2 2 372.925 4.188 20 0 FIADLP Cn1c[nH+]cc1CCC[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000574337293 1115342823 /nfs/dbraw/zinc/34/28/23/1115342823.db2.gz POKVUDJXNCTCHU-UHFFFAOYSA-N 2 2 372.925 4.188 20 0 FIADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168416263 1115849700 /nfs/dbraw/zinc/84/97/00/1115849700.db2.gz VWASQKUPVZQPLG-QHCPKHFHSA-N 2 2 370.487 4.385 20 0 FIADLP COc1cc(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)cc(OC)c1 ZINC000606913050 1115983133 /nfs/dbraw/zinc/98/31/33/1115983133.db2.gz GOFRZXHIKYFWLY-SFHVURJKSA-N 2 2 368.521 4.457 20 0 FIADLP CCOc1cccc(/C=[NH+]/CC2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000063427699 1116064057 /nfs/dbraw/zinc/06/40/57/1116064057.db2.gz CVUMOQHHOVNTBN-XQNSMLJCSA-N 2 2 352.478 4.122 20 0 FIADLP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000534058904 1116153466 /nfs/dbraw/zinc/15/34/66/1116153466.db2.gz ICTWHRJKOMSLOL-KRWDZBQOSA-N 2 2 367.306 4.182 20 0 FIADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000534794177 1116237472 /nfs/dbraw/zinc/23/74/72/1116237472.db2.gz NDRAZRQMDHWWFZ-INIZCTEOSA-N 2 2 368.706 4.356 20 0 FIADLP CCN(Cc1cc(OC)cc(C)[nH+]1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000535286136 1116290364 /nfs/dbraw/zinc/29/03/64/1116290364.db2.gz YONXTHZMBJKOJH-RXVVDRJESA-N 2 2 353.510 4.056 20 0 FIADLP CCN(Cc1cc(OC)cc(C)[nH+]1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000535286136 1116290366 /nfs/dbraw/zinc/29/03/66/1116290366.db2.gz YONXTHZMBJKOJH-RXVVDRJESA-N 2 2 353.510 4.056 20 0 FIADLP CCN(Cc1cc(OC)cc(C)[nH+]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000535286137 1116290473 /nfs/dbraw/zinc/29/04/73/1116290473.db2.gz YONXTHZMBJKOJH-WIYYLYMNSA-N 2 2 353.510 4.056 20 0 FIADLP CCN(Cc1cc(OC)cc(C)[nH+]1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000535286137 1116290475 /nfs/dbraw/zinc/29/04/75/1116290475.db2.gz YONXTHZMBJKOJH-WIYYLYMNSA-N 2 2 353.510 4.056 20 0 FIADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000535506143 1116315444 /nfs/dbraw/zinc/31/54/44/1116315444.db2.gz ASUJSSNSIBUTRW-HSMVNMDESA-N 2 2 355.295 4.038 20 0 FIADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168428807 1116322097 /nfs/dbraw/zinc/32/20/97/1116322097.db2.gz SWYJLRTULLXBQT-QHCPKHFHSA-N 2 2 352.497 4.279 20 0 FIADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168428807 1116322100 /nfs/dbraw/zinc/32/21/00/1116322100.db2.gz SWYJLRTULLXBQT-QHCPKHFHSA-N 2 2 352.497 4.279 20 0 FIADLP COCc1cccc(C[NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000462364968 1116340856 /nfs/dbraw/zinc/34/08/56/1116340856.db2.gz JWWNGONKJNYVJI-HSZRJFAPSA-N 2 2 352.522 4.006 20 0 FIADLP COCc1cccc(C[NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1 ZINC000462364968 1116340857 /nfs/dbraw/zinc/34/08/57/1116340857.db2.gz JWWNGONKJNYVJI-HSZRJFAPSA-N 2 2 352.522 4.006 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@H](c3ccccc3)C3CC3)[nH+]c2)CC1 ZINC000539688425 1116364824 /nfs/dbraw/zinc/36/48/24/1116364824.db2.gz FMGSICONSIZJDQ-JOCHJYFZSA-N 2 2 350.510 4.175 20 0 FIADLP CSc1cccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2ccc(F)c(F)c2)c1 ZINC000491281440 1116371323 /nfs/dbraw/zinc/37/13/23/1116371323.db2.gz AXAIKQMPMALFGA-LJQANCHMSA-N 2 2 359.445 4.262 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C[C@@H]1C ZINC000539837952 1116386531 /nfs/dbraw/zinc/38/65/31/1116386531.db2.gz DXOORHRBPVLKFP-MGPUTAFESA-N 2 2 360.933 4.139 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C[C@@H]1C ZINC000539837952 1116386533 /nfs/dbraw/zinc/38/65/33/1116386533.db2.gz DXOORHRBPVLKFP-MGPUTAFESA-N 2 2 360.933 4.139 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C[C@@H]1C ZINC000539837952 1116386535 /nfs/dbraw/zinc/38/65/35/1116386535.db2.gz DXOORHRBPVLKFP-MGPUTAFESA-N 2 2 360.933 4.139 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C[C@@H]1C ZINC000539837952 1116386538 /nfs/dbraw/zinc/38/65/38/1116386538.db2.gz DXOORHRBPVLKFP-MGPUTAFESA-N 2 2 360.933 4.139 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C[C@H]1C ZINC000539837953 1116386723 /nfs/dbraw/zinc/38/67/23/1116386723.db2.gz DXOORHRBPVLKFP-QRWLVFNGSA-N 2 2 360.933 4.139 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C[C@H]1C ZINC000539837953 1116386725 /nfs/dbraw/zinc/38/67/25/1116386725.db2.gz DXOORHRBPVLKFP-QRWLVFNGSA-N 2 2 360.933 4.139 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C[C@H]1C ZINC000539837953 1116386727 /nfs/dbraw/zinc/38/67/27/1116386727.db2.gz DXOORHRBPVLKFP-QRWLVFNGSA-N 2 2 360.933 4.139 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C[C@H]1C ZINC000539837953 1116386729 /nfs/dbraw/zinc/38/67/29/1116386729.db2.gz DXOORHRBPVLKFP-QRWLVFNGSA-N 2 2 360.933 4.139 20 0 FIADLP Cc1ccc2ncc(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)n2c1 ZINC000539832778 1116388413 /nfs/dbraw/zinc/38/84/13/1116388413.db2.gz ZKWLSZHBAPDPDY-FPOVZHCZSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1ccc2ncc(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)n2c1 ZINC000539832778 1116388416 /nfs/dbraw/zinc/38/84/16/1116388416.db2.gz ZKWLSZHBAPDPDY-FPOVZHCZSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1ccc2ncc(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)n2c1 ZINC000539832778 1116388418 /nfs/dbraw/zinc/38/84/18/1116388418.db2.gz ZKWLSZHBAPDPDY-FPOVZHCZSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1ccc2ncc(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)n2c1 ZINC000539832778 1116388420 /nfs/dbraw/zinc/38/84/20/1116388420.db2.gz ZKWLSZHBAPDPDY-FPOVZHCZSA-N 2 2 362.521 4.128 20 0 FIADLP c1nc2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)ccc2[nH]1 ZINC000539898437 1117740265 /nfs/dbraw/zinc/74/02/65/1117740265.db2.gz XHDPEHGROSZSEI-OFNKIYASSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)ccc2[nH]1 ZINC000539898437 1117740268 /nfs/dbraw/zinc/74/02/68/1117740268.db2.gz XHDPEHGROSZSEI-OFNKIYASSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)ccc2[nH]1 ZINC000539898437 1117740270 /nfs/dbraw/zinc/74/02/70/1117740270.db2.gz XHDPEHGROSZSEI-OFNKIYASSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)ccc2[nH]1 ZINC000539898437 1117740274 /nfs/dbraw/zinc/74/02/74/1117740274.db2.gz XHDPEHGROSZSEI-OFNKIYASSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cc2[nH]1 ZINC000539898437 1117740277 /nfs/dbraw/zinc/74/02/77/1117740277.db2.gz XHDPEHGROSZSEI-OFNKIYASSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2ccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cc2[nH]1 ZINC000539898437 1117740279 /nfs/dbraw/zinc/74/02/79/1117740279.db2.gz XHDPEHGROSZSEI-OFNKIYASSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2[nH]1 ZINC000539898437 1117740281 /nfs/dbraw/zinc/74/02/81/1117740281.db2.gz XHDPEHGROSZSEI-OFNKIYASSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)cc2[nH]1 ZINC000539898437 1117740284 /nfs/dbraw/zinc/74/02/84/1117740284.db2.gz XHDPEHGROSZSEI-OFNKIYASSA-N 2 2 360.505 4.049 20 0 FIADLP CC[N@H+](C)[C@H](C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1)c1ccccc1 ZINC000462764545 1117754335 /nfs/dbraw/zinc/75/43/35/1117754335.db2.gz GKIHJJPMRRHRCA-NRFANRHFSA-N 2 2 362.477 4.121 20 0 FIADLP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1)c1ccccc1 ZINC000462764545 1117754340 /nfs/dbraw/zinc/75/43/40/1117754340.db2.gz GKIHJJPMRRHRCA-NRFANRHFSA-N 2 2 362.477 4.121 20 0 FIADLP Oc1cccc2c1CCC[C@@H]2[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000462815649 1117793444 /nfs/dbraw/zinc/79/34/44/1117793444.db2.gz YIWKFAABQVVGRH-JMLCCBQJSA-N 2 2 368.443 4.165 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1csc(-c2ccccc2F)n1 ZINC000462881993 1117837165 /nfs/dbraw/zinc/83/71/65/1117837165.db2.gz BUSCBDBADMZCND-CQSZACIVSA-N 2 2 370.497 4.375 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000540163866 1117917659 /nfs/dbraw/zinc/91/76/59/1117917659.db2.gz PYXUBOHRUAWPKK-IGNZVWTISA-N 2 2 357.325 4.022 20 0 FIADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(Cl)s3)CC2)cc1 ZINC000463068379 1117954422 /nfs/dbraw/zinc/95/44/22/1117954422.db2.gz KWAIAWIHRCCROI-UHFFFAOYSA-N 2 2 352.906 4.337 20 0 FIADLP C[C@@H]1C[C@@H](NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463083729 1117965476 /nfs/dbraw/zinc/96/54/76/1117965476.db2.gz LTTKEFGNQBZSRI-LEOXJPRUSA-N 2 2 369.528 4.071 20 0 FIADLP C[C@@H]1C[C@@H](NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463083729 1117965478 /nfs/dbraw/zinc/96/54/78/1117965478.db2.gz LTTKEFGNQBZSRI-LEOXJPRUSA-N 2 2 369.528 4.071 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000463116172 1117977551 /nfs/dbraw/zinc/97/75/51/1117977551.db2.gz OQDCBNQJUWDSPR-NQIIRXRSSA-N 2 2 361.489 4.484 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)no2)CC[N@H+]1Cc1ccccc1 ZINC000463116172 1117977554 /nfs/dbraw/zinc/97/75/54/1117977554.db2.gz OQDCBNQJUWDSPR-NQIIRXRSSA-N 2 2 361.489 4.484 20 0 FIADLP Cc1ccc2c(c1C)OC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463141859 1117980561 /nfs/dbraw/zinc/98/05/61/1117980561.db2.gz COHHNEMCGMSPPQ-QFIPXVFZSA-N 2 2 350.506 4.034 20 0 FIADLP Cc1ccc2c(c1C)OC[C@H]2[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463145715 1117982820 /nfs/dbraw/zinc/98/28/20/1117982820.db2.gz NNDGKPYHTBXXEI-JOCHJYFZSA-N 2 2 368.496 4.173 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463132484 1117983402 /nfs/dbraw/zinc/98/34/02/1117983402.db2.gz PFEYZVWFMJUXIX-YKSBVNFPSA-N 3 2 374.532 4.074 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463132484 1117983403 /nfs/dbraw/zinc/98/34/03/1117983403.db2.gz PFEYZVWFMJUXIX-YKSBVNFPSA-N 3 2 374.532 4.074 20 0 FIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C2CCN(c3ccccc3)CC2)c(C)c1 ZINC000463193669 1118009579 /nfs/dbraw/zinc/00/95/79/1118009579.db2.gz SKDQBFGDFNOPRU-DEOSSOPVSA-N 2 2 374.532 4.500 20 0 FIADLP Clc1ccc2sc(C3CC[NH+](CCCn4cc[nH+]c4)CC3)nc2c1 ZINC000540560988 1118130512 /nfs/dbraw/zinc/13/05/12/1118130512.db2.gz LOENLLVPRGOSSB-UHFFFAOYSA-N 2 2 360.914 4.416 20 0 FIADLP CCCCO[C@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1(C)C ZINC000540597616 1118140648 /nfs/dbraw/zinc/14/06/48/1118140648.db2.gz VZQGCXXLTGAYQA-UXHICEINSA-N 2 2 355.526 4.047 20 0 FIADLP Cc1cc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc(C)c1F ZINC000540758457 1118225747 /nfs/dbraw/zinc/22/57/47/1118225747.db2.gz LDDYAGFBAOASJG-LPHOPBHVSA-N 2 2 356.489 4.151 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCCc4cc(F)ccc43)[nH+]c2)CC1 ZINC000540787898 1118247792 /nfs/dbraw/zinc/24/77/92/1118247792.db2.gz YIKBRWRWPLPJQQ-NRFANRHFSA-N 2 2 368.500 4.241 20 0 FIADLP CSC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1 ZINC000540990660 1118340520 /nfs/dbraw/zinc/34/05/20/1118340520.db2.gz SPLVIBPDHWOCNW-IKGGRYGDSA-N 2 2 358.473 4.326 20 0 FIADLP CSC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1 ZINC000540990660 1118340523 /nfs/dbraw/zinc/34/05/23/1118340523.db2.gz SPLVIBPDHWOCNW-IKGGRYGDSA-N 2 2 358.473 4.326 20 0 FIADLP CCc1cnc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)s1 ZINC000541372703 1118492242 /nfs/dbraw/zinc/49/22/42/1118492242.db2.gz BUPVDJKFOVVTDG-UHFFFAOYSA-N 2 2 355.507 4.220 20 0 FIADLP CCc1cnc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)s1 ZINC000541372703 1118492244 /nfs/dbraw/zinc/49/22/44/1118492244.db2.gz BUPVDJKFOVVTDG-UHFFFAOYSA-N 2 2 355.507 4.220 20 0 FIADLP Brc1cccc2c1CCC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000542150738 1118812922 /nfs/dbraw/zinc/81/29/22/1118812922.db2.gz HCCUWRFUYUSNKL-SFHVURJKSA-N 2 2 374.326 4.192 20 0 FIADLP c1cn(-c2csc(C[NH2+][C@@H]3CCCc4cn(C5CCCC5)nc43)c2)c[nH+]1 ZINC000542309030 1118896449 /nfs/dbraw/zinc/89/64/49/1118896449.db2.gz DIHHLIMZGHRDGT-LJQANCHMSA-N 2 2 367.522 4.413 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(Br)c1 ZINC000173348886 1119034605 /nfs/dbraw/zinc/03/46/05/1119034605.db2.gz CPIOJDVGCMKPRI-CQSZACIVSA-N 2 2 356.267 4.486 20 0 FIADLP CC(C)Oc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000177261438 1119320354 /nfs/dbraw/zinc/32/03/54/1119320354.db2.gz NKUVUCMIFJOUAP-UHFFFAOYSA-N 2 2 367.537 4.008 20 0 FIADLP CC(C)Oc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000177261438 1119320358 /nfs/dbraw/zinc/32/03/58/1119320358.db2.gz NKUVUCMIFJOUAP-UHFFFAOYSA-N 2 2 367.537 4.008 20 0 FIADLP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4nc5ccccc5s4)C[C@H]3C2)cc1 ZINC000312100209 1119399770 /nfs/dbraw/zinc/39/97/70/1119399770.db2.gz HBWVHDLLWQGXJW-RBUKOAKNSA-N 2 2 363.530 4.250 20 0 FIADLP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4nc5ccccc5s4)C[C@H]3C2)cc1 ZINC000312100209 1119399773 /nfs/dbraw/zinc/39/97/73/1119399773.db2.gz HBWVHDLLWQGXJW-RBUKOAKNSA-N 2 2 363.530 4.250 20 0 FIADLP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4nc5ccccc5s4)C[C@H]3C2)cc1 ZINC000312100209 1119399777 /nfs/dbraw/zinc/39/97/77/1119399777.db2.gz HBWVHDLLWQGXJW-RBUKOAKNSA-N 2 2 363.530 4.250 20 0 FIADLP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4nc5ccccc5s4)C[C@H]3C2)cc1 ZINC000312100209 1119399782 /nfs/dbraw/zinc/39/97/82/1119399782.db2.gz HBWVHDLLWQGXJW-RBUKOAKNSA-N 2 2 363.530 4.250 20 0 FIADLP CCSc1cccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000186199961 1119713203 /nfs/dbraw/zinc/71/32/03/1119713203.db2.gz XAIKWTLRKCYEQJ-UHFFFAOYSA-N 2 2 369.578 4.333 20 0 FIADLP CCSc1cccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000186199961 1119713205 /nfs/dbraw/zinc/71/32/05/1119713205.db2.gz XAIKWTLRKCYEQJ-UHFFFAOYSA-N 2 2 369.578 4.333 20 0 FIADLP CC(C)c1nc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cs1 ZINC000186274360 1119718316 /nfs/dbraw/zinc/71/83/16/1119718316.db2.gz SZLLWKLNWFMRTQ-IRXDYDNUSA-N 2 2 373.566 4.338 20 0 FIADLP CC(C)c1nc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cs1 ZINC000186274360 1119718321 /nfs/dbraw/zinc/71/83/21/1119718321.db2.gz SZLLWKLNWFMRTQ-IRXDYDNUSA-N 2 2 373.566 4.338 20 0 FIADLP Fc1cc(F)cc(Oc2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cc2)c1 ZINC000494432686 1119858428 /nfs/dbraw/zinc/85/84/28/1119858428.db2.gz UMUOVVTUSPNHQH-QGZVFWFLSA-N 2 2 355.388 4.058 20 0 FIADLP CC(C)[NH+]1CCC([NH2+][C@H]2CSc3ccc(Br)cc32)CC1 ZINC000494462418 1119868072 /nfs/dbraw/zinc/86/80/72/1119868072.db2.gz AYCIOBZLOVHNAI-HNNXBMFYSA-N 2 2 355.345 4.058 20 0 FIADLP Cc1c([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cnn1C(C)(C)C ZINC000191165533 1119963214 /nfs/dbraw/zinc/96/32/14/1119963214.db2.gz FXMSQOOTENCWKY-INIZCTEOSA-N 2 2 351.498 4.042 20 0 FIADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cnn1C(C)C ZINC000191183873 1119964138 /nfs/dbraw/zinc/96/41/38/1119964138.db2.gz PDYJLDPXDCHXCU-GOSISDBHSA-N 2 2 354.542 4.396 20 0 FIADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)CCS2 ZINC000191494182 1119979718 /nfs/dbraw/zinc/97/97/18/1119979718.db2.gz DQRPWNVSLFCKDI-FQEVSTJZSA-N 2 2 365.502 4.267 20 0 FIADLP C[NH+](C)Cc1cc(C[NH2+]Cc2c(F)cccc2Br)ccc1F ZINC000192582370 1120069364 /nfs/dbraw/zinc/06/93/64/1120069364.db2.gz OFIAIVYUQAEINB-UHFFFAOYSA-N 2 2 369.253 4.079 20 0 FIADLP COC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000193968733 1120221700 /nfs/dbraw/zinc/22/17/00/1120221700.db2.gz KDTRQWVYYJQGFL-HXUWFJFHSA-N 2 2 355.869 4.062 20 0 FIADLP Clc1ccccc1C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000494936826 1120388608 /nfs/dbraw/zinc/38/86/08/1120388608.db2.gz CLUAEBWMRJBWNZ-WBVHZDCISA-N 2 2 357.910 4.486 20 0 FIADLP c1coc(-c2ncc(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)s2)c1 ZINC000494960704 1120397060 /nfs/dbraw/zinc/39/70/60/1120397060.db2.gz YLZXDOWMABSQQL-QGZVFWFLSA-N 2 2 359.539 4.491 20 0 FIADLP c1coc(-c2ncc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)s2)c1 ZINC000494960704 1120397066 /nfs/dbraw/zinc/39/70/66/1120397066.db2.gz YLZXDOWMABSQQL-QGZVFWFLSA-N 2 2 359.539 4.491 20 0 FIADLP Cc1noc(C2CCC([NH2+]CC(C)(C)[NH2+][C@H](C)c3ccccc3)CC2)n1 ZINC000495050595 1120446518 /nfs/dbraw/zinc/44/65/18/1120446518.db2.gz VIQBLPQOPJQRQC-VNCLNFNDSA-N 2 2 356.514 4.123 20 0 FIADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccc1SC ZINC000303405948 1120756980 /nfs/dbraw/zinc/75/69/80/1120756980.db2.gz PYKFWESSZMBYAG-IBGZPJMESA-N 2 2 362.583 4.361 20 0 FIADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccc1SC ZINC000303405948 1120756991 /nfs/dbraw/zinc/75/69/91/1120756991.db2.gz PYKFWESSZMBYAG-IBGZPJMESA-N 2 2 362.583 4.361 20 0 FIADLP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000762743504 1120957417 /nfs/dbraw/zinc/95/74/17/1120957417.db2.gz CHDQCUYGLGQUFP-ZDUSSCGKSA-N 2 2 360.315 4.146 20 0 FIADLP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000397978774 1121330372 /nfs/dbraw/zinc/33/03/72/1121330372.db2.gz LPNUTOCIQMSASI-FDDCHVKYSA-N 2 2 365.521 4.350 20 0 FIADLP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000397978774 1121330377 /nfs/dbraw/zinc/33/03/77/1121330377.db2.gz LPNUTOCIQMSASI-FDDCHVKYSA-N 2 2 365.521 4.350 20 0 FIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1sccc1Br ZINC000037273208 1121560887 /nfs/dbraw/zinc/56/08/87/1121560887.db2.gz FLJFSBIXFOOCGQ-LBPRGKRZSA-N 2 2 366.328 4.225 20 0 FIADLP COc1ccc2c(c1)CCC[C@H]2C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000124202103 1121670363 /nfs/dbraw/zinc/67/03/63/1121670363.db2.gz RQIYDFCWIUXTTG-INIZCTEOSA-N 2 2 370.459 4.122 20 0 FIADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000124350296 1121686492 /nfs/dbraw/zinc/68/64/92/1121686492.db2.gz NHOGMPFYMYVKFM-CQSZACIVSA-N 2 2 358.555 4.464 20 0 FIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000125268561 1121763741 /nfs/dbraw/zinc/76/37/41/1121763741.db2.gz RFTLJLVSGVNZJT-UHFFFAOYSA-N 2 2 368.521 4.190 20 0 FIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000125268561 1121763752 /nfs/dbraw/zinc/76/37/52/1121763752.db2.gz RFTLJLVSGVNZJT-UHFFFAOYSA-N 2 2 368.521 4.190 20 0 FIADLP CCc1ccc(-c2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)o2)cc1 ZINC000072922874 1121909611 /nfs/dbraw/zinc/90/96/11/1121909611.db2.gz JZIGQDGSEPHNLM-IBGZPJMESA-N 2 2 368.521 4.100 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(SC2CCCC2)cc1 ZINC000765795953 1122011568 /nfs/dbraw/zinc/01/15/68/1122011568.db2.gz GQJZOBFTJBSESA-YTQUADARSA-N 2 2 360.567 4.235 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(SC2CCCC2)cc1 ZINC000765795953 1122011576 /nfs/dbraw/zinc/01/15/76/1122011576.db2.gz GQJZOBFTJBSESA-YTQUADARSA-N 2 2 360.567 4.235 20 0 FIADLP Cc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)ccc1Oc1cccnc1 ZINC000127746222 1122142502 /nfs/dbraw/zinc/14/25/02/1122142502.db2.gz BOFATTMQHOSHFP-UHFFFAOYSA-N 2 2 351.494 4.243 20 0 FIADLP COc1ccc([C@H]2C[C@H](n3c[nH+]cc3-c3ccc(C[NH3+])cc3)CCO2)cc1 ZINC001168623784 1122181243 /nfs/dbraw/zinc/18/12/43/1122181243.db2.gz KIKJCJNTSWHEOW-DENIHFKCSA-N 2 2 363.461 4.110 20 0 FIADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000497384498 1122193483 /nfs/dbraw/zinc/19/34/83/1122193483.db2.gz KJKCLJKJCTWMTH-OAHLLOKOSA-N 2 2 363.427 4.290 20 0 FIADLP Cc1c(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)sc2nc(C)nc(C)c12 ZINC000917424616 1122308704 /nfs/dbraw/zinc/30/87/04/1122308704.db2.gz OVEFIPGQXJMNKD-MRXNPFEDSA-N 2 2 357.527 4.018 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444790609 1122618672 /nfs/dbraw/zinc/61/86/72/1122618672.db2.gz IYHILEZVVDHISD-RCCFBDPRSA-N 2 2 368.525 4.140 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444790609 1122618678 /nfs/dbraw/zinc/61/86/78/1122618678.db2.gz IYHILEZVVDHISD-RCCFBDPRSA-N 2 2 368.525 4.140 20 0 FIADLP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444796144 1122622760 /nfs/dbraw/zinc/62/27/60/1122622760.db2.gz VUFZALSWUYORIU-ZFWWWQNUSA-N 2 2 371.872 4.064 20 0 FIADLP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444796144 1122622764 /nfs/dbraw/zinc/62/27/64/1122622764.db2.gz VUFZALSWUYORIU-ZFWWWQNUSA-N 2 2 371.872 4.064 20 0 FIADLP C[N@H+](CCCn1cc[nH+]c1)[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000130374984 1122839007 /nfs/dbraw/zinc/83/90/07/1122839007.db2.gz AKPUFAHTIKNZKS-FQEVSTJZSA-N 2 2 373.460 4.045 20 0 FIADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000130374984 1122839020 /nfs/dbraw/zinc/83/90/20/1122839020.db2.gz AKPUFAHTIKNZKS-FQEVSTJZSA-N 2 2 373.460 4.045 20 0 FIADLP CCC[N@H+](Cc1ccc(Br)c(Cl)c1F)C1CC[NH2+]CC1 ZINC001236185028 1122941517 /nfs/dbraw/zinc/94/15/17/1122941517.db2.gz SSCXOVGCXAQPLL-UHFFFAOYSA-N 2 2 363.702 4.206 20 0 FIADLP CCC[N@@H+](Cc1ccc(Br)c(Cl)c1F)C1CC[NH2+]CC1 ZINC001236185028 1122941518 /nfs/dbraw/zinc/94/15/18/1122941518.db2.gz SSCXOVGCXAQPLL-UHFFFAOYSA-N 2 2 363.702 4.206 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccn(Cc3ccccc3)n2)cc1 ZINC000556608503 1122997272 /nfs/dbraw/zinc/99/72/72/1122997272.db2.gz MDEDLCDZSNDATJ-SFHVURJKSA-N 2 2 371.488 4.276 20 0 FIADLP C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000131632546 1123141938 /nfs/dbraw/zinc/14/19/38/1123141938.db2.gz MXMGVYGRXOQXGO-LRYGQEGESA-N 2 2 369.509 4.423 20 0 FIADLP C[NH+](C)Cc1cccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000072962624 1123186098 /nfs/dbraw/zinc/18/60/98/1123186098.db2.gz CAKGCCPXCZHMDX-UHFFFAOYSA-N 2 2 374.488 4.200 20 0 FIADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCCO2 ZINC000132145900 1123222655 /nfs/dbraw/zinc/22/26/55/1123222655.db2.gz IHBRENVZKXNRLM-FQEVSTJZSA-N 2 2 365.452 4.117 20 0 FIADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cc(F)ccc1F ZINC000132154838 1123224115 /nfs/dbraw/zinc/22/41/15/1123224115.db2.gz XVIOZUGLWATXID-HXUWFJFHSA-N 2 2 355.432 4.493 20 0 FIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000132269504 1123237481 /nfs/dbraw/zinc/23/74/81/1123237481.db2.gz LFPRTXHDIFQCQD-MRXNPFEDSA-N 2 2 371.431 4.426 20 0 FIADLP Cc1ccc(C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C2CC2)cc1 ZINC000132295225 1123239751 /nfs/dbraw/zinc/23/97/51/1123239751.db2.gz LLFZAOGESYODMI-QHCPKHFHSA-N 2 2 359.517 4.393 20 0 FIADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@@H](C)c3ccc(F)cc3)CCCC2)no1 ZINC000136300357 1123874983 /nfs/dbraw/zinc/87/49/83/1123874983.db2.gz MQSVNDKIDBUMLN-MRXNPFEDSA-N 2 2 374.504 4.213 20 0 FIADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000564353505 1123950402 /nfs/dbraw/zinc/95/04/02/1123950402.db2.gz BDHDHDAXDBMGBR-IVZQSRNASA-N 2 2 368.500 4.097 20 0 FIADLP C[NH+](C)[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccs1 ZINC000245754474 1124241658 /nfs/dbraw/zinc/24/16/58/1124241658.db2.gz UPDBWZHKOGZTQE-BURNTYAHSA-N 2 2 369.578 4.136 20 0 FIADLP C[NH+](C)[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccs1 ZINC000245754474 1124241662 /nfs/dbraw/zinc/24/16/62/1124241662.db2.gz UPDBWZHKOGZTQE-BURNTYAHSA-N 2 2 369.578 4.136 20 0 FIADLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1(CC)CC ZINC000245843412 1124261489 /nfs/dbraw/zinc/26/14/89/1124261489.db2.gz DXMHYXMAECIDAO-JRGCBEDISA-N 2 2 359.558 4.180 20 0 FIADLP CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246308627 1124441551 /nfs/dbraw/zinc/44/15/51/1124441551.db2.gz DPSOGLHDSWARRG-SIKLNZKXSA-N 2 2 367.537 4.084 20 0 FIADLP CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246308627 1124441555 /nfs/dbraw/zinc/44/15/55/1124441555.db2.gz DPSOGLHDSWARRG-SIKLNZKXSA-N 2 2 367.537 4.084 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000246420075 1124498753 /nfs/dbraw/zinc/49/87/53/1124498753.db2.gz NCHJSZQOMOMGIC-MJXNMMHHSA-N 2 2 371.352 4.412 20 0 FIADLP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000246814007 1124563112 /nfs/dbraw/zinc/56/31/12/1124563112.db2.gz UABYCDBFGPBLEY-KXBFYZLASA-N 2 2 358.917 4.020 20 0 FIADLP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000246814007 1124563116 /nfs/dbraw/zinc/56/31/16/1124563116.db2.gz UABYCDBFGPBLEY-KXBFYZLASA-N 2 2 358.917 4.020 20 0 FIADLP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000246814007 1124563122 /nfs/dbraw/zinc/56/31/22/1124563122.db2.gz UABYCDBFGPBLEY-KXBFYZLASA-N 2 2 358.917 4.020 20 0 FIADLP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000246814007 1124563128 /nfs/dbraw/zinc/56/31/28/1124563128.db2.gz UABYCDBFGPBLEY-KXBFYZLASA-N 2 2 358.917 4.020 20 0 FIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247018926 1124582399 /nfs/dbraw/zinc/58/23/99/1124582399.db2.gz LRXCPYHSDMVZSG-HKUYNNGSSA-N 2 2 369.509 4.235 20 0 FIADLP CSc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247104443 1124590423 /nfs/dbraw/zinc/59/04/23/1124590423.db2.gz OVHLOBZWAPOUAW-XLIONFOSSA-N 2 2 355.551 4.112 20 0 FIADLP CSc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247104443 1124590429 /nfs/dbraw/zinc/59/04/29/1124590429.db2.gz OVHLOBZWAPOUAW-XLIONFOSSA-N 2 2 355.551 4.112 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cc1F ZINC000247170349 1124596379 /nfs/dbraw/zinc/59/63/79/1124596379.db2.gz UONYFOLDUJQHSJ-JKSUJKDBSA-N 2 2 360.448 4.036 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cc1F ZINC000247170349 1124596385 /nfs/dbraw/zinc/59/63/85/1124596385.db2.gz UONYFOLDUJQHSJ-JKSUJKDBSA-N 2 2 360.448 4.036 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2csc(N(C)C3CC3)n2)cc1 ZINC000542881483 1124712791 /nfs/dbraw/zinc/71/27/91/1124712791.db2.gz QLUDLSRIUIRJSV-CQSZACIVSA-N 2 2 367.522 4.087 20 0 FIADLP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000248013287 1124737317 /nfs/dbraw/zinc/73/73/17/1124737317.db2.gz LMKUEYGKFHOKAZ-CKJXQJPGSA-N 2 2 374.550 4.499 20 0 FIADLP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000248013287 1124737321 /nfs/dbraw/zinc/73/73/21/1124737321.db2.gz LMKUEYGKFHOKAZ-CKJXQJPGSA-N 2 2 374.550 4.499 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248395278 1124759780 /nfs/dbraw/zinc/75/97/80/1124759780.db2.gz GEMFAJHZLWHZTL-NSHGMRRFSA-N 3 2 352.526 4.176 20 0 FIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)o2)[C@H]1c1cccs1 ZINC000249390059 1124856201 /nfs/dbraw/zinc/85/62/01/1124856201.db2.gz FQXNFYLIHZQWLW-WBMJQRKESA-N 2 2 369.328 4.276 20 0 FIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)o2)[C@H]1c1cccs1 ZINC000249390059 1124856211 /nfs/dbraw/zinc/85/62/11/1124856211.db2.gz FQXNFYLIHZQWLW-WBMJQRKESA-N 2 2 369.328 4.276 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000090015956 1124975310 /nfs/dbraw/zinc/97/53/10/1124975310.db2.gz UKFRRUZGNZTQOW-UGKGYDQZSA-N 2 2 351.538 4.151 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000090015956 1124975313 /nfs/dbraw/zinc/97/53/13/1124975313.db2.gz UKFRRUZGNZTQOW-UGKGYDQZSA-N 2 2 351.538 4.151 20 0 FIADLP COc1ccc([C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C(C)C)cc1 ZINC000091283290 1125061208 /nfs/dbraw/zinc/06/12/08/1125061208.db2.gz HSEIBXVDQMSORM-QHCPKHFHSA-N 2 2 363.505 4.469 20 0 FIADLP COC[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc(Cl)c1F ZINC000672603839 1125193479 /nfs/dbraw/zinc/19/34/79/1125193479.db2.gz YLGHHMKIFFCLNX-SFHVURJKSA-N 2 2 368.855 4.157 20 0 FIADLP CS[C@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000922078116 1125291191 /nfs/dbraw/zinc/29/11/91/1125291191.db2.gz XRDHDRXNOKUFGT-LMPOIIKSSA-N 2 2 350.494 4.056 20 0 FIADLP Clc1ccc(Br)cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000602870105 568008997 /nfs/dbraw/zinc/00/89/97/568008997.db2.gz IGXVLXGFZDVXGG-CQSZACIVSA-N 2 2 354.679 4.136 20 0 FIADLP CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000563119880 568224675 /nfs/dbraw/zinc/22/46/75/568224675.db2.gz LGSZXLZLMPKUCJ-WIYYLYMNSA-N 2 2 352.526 4.312 20 0 FIADLP CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000563119880 568224676 /nfs/dbraw/zinc/22/46/76/568224676.db2.gz LGSZXLZLMPKUCJ-WIYYLYMNSA-N 2 2 352.526 4.312 20 0 FIADLP C[C@@H](CC[NH+]1CCC(C(F)(F)F)CC1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000431599732 568359180 /nfs/dbraw/zinc/35/91/80/568359180.db2.gz JGNPVFJUFBBHKF-LBPRGKRZSA-N 2 2 360.386 4.314 20 0 FIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2nccs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165559 568594042 /nfs/dbraw/zinc/59/40/42/568594042.db2.gz JQMACEKREQUKEU-PBHICJAKSA-N 2 2 369.456 4.335 20 0 FIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2nccs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165559 568594043 /nfs/dbraw/zinc/59/40/43/568594043.db2.gz JQMACEKREQUKEU-PBHICJAKSA-N 2 2 369.456 4.335 20 0 FIADLP Cc1cc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000606156467 568676385 /nfs/dbraw/zinc/67/63/85/568676385.db2.gz RRHWLOYFLCLDJP-XLIONFOSSA-N 2 2 350.510 4.152 20 0 FIADLP Cc1cc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000606156467 568676389 /nfs/dbraw/zinc/67/63/89/568676389.db2.gz RRHWLOYFLCLDJP-XLIONFOSSA-N 2 2 350.510 4.152 20 0 FIADLP Cc1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(C(C)C)[nH+]1 ZINC001164997210 722207560 /nfs/dbraw/zinc/20/75/60/722207560.db2.gz XDKFHCDRUSVGGF-QFIPXVFZSA-N 2 2 368.500 4.292 20 0 FIADLP Cc1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(C(C)C)[nH+]1 ZINC001164997210 722207563 /nfs/dbraw/zinc/20/75/63/722207563.db2.gz XDKFHCDRUSVGGF-QFIPXVFZSA-N 2 2 368.500 4.292 20 0 FIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644488 1125472578 /nfs/dbraw/zinc/47/25/78/1125472578.db2.gz FDQZYYPDBVUZPC-BEFAXECRSA-N 2 2 374.960 4.116 20 0 FIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644488 1125472585 /nfs/dbraw/zinc/47/25/85/1125472585.db2.gz FDQZYYPDBVUZPC-BEFAXECRSA-N 2 2 374.960 4.116 20 0 FIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644488 1125472587 /nfs/dbraw/zinc/47/25/87/1125472587.db2.gz FDQZYYPDBVUZPC-BEFAXECRSA-N 2 2 374.960 4.116 20 0 FIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644488 1125472592 /nfs/dbraw/zinc/47/25/92/1125472592.db2.gz FDQZYYPDBVUZPC-BEFAXECRSA-N 2 2 374.960 4.116 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[N@@H+]1C ZINC000093644390 1125472715 /nfs/dbraw/zinc/47/27/15/1125472715.db2.gz NADUZHVSDQRRHT-PXNSSMCTSA-N 2 2 354.542 4.084 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[N@H+]1C ZINC000093644390 1125472717 /nfs/dbraw/zinc/47/27/17/1125472717.db2.gz NADUZHVSDQRRHT-PXNSSMCTSA-N 2 2 354.542 4.084 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[NH+]1C ZINC000093644390 1125472720 /nfs/dbraw/zinc/47/27/20/1125472720.db2.gz NADUZHVSDQRRHT-PXNSSMCTSA-N 2 2 354.542 4.084 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[NH+]1C ZINC000093644390 1125472723 /nfs/dbraw/zinc/47/27/23/1125472723.db2.gz NADUZHVSDQRRHT-PXNSSMCTSA-N 2 2 354.542 4.084 20 0 FIADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000153019096 1125718697 /nfs/dbraw/zinc/71/86/97/1125718697.db2.gz JBFSEVAWAVPXBV-XMSQKQJNSA-N 2 2 350.506 4.165 20 0 FIADLP c1ccc(CC[NH+]2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000153239407 1125763226 /nfs/dbraw/zinc/76/32/26/1125763226.db2.gz LTBDYLRSSJWMBX-UHFFFAOYSA-N 3 2 369.597 4.080 20 0 FIADLP C[N@H+](C/C=C/c1ccc(Cl)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000179697151 1080243914 /nfs/dbraw/zinc/24/39/14/1080243914.db2.gz CFFRHYKORZJJIS-SNAWJCMRSA-N 2 2 369.940 4.387 20 0 FIADLP C[N@@H+](C/C=C/c1ccc(Cl)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000179697151 1080243923 /nfs/dbraw/zinc/24/39/23/1080243923.db2.gz CFFRHYKORZJJIS-SNAWJCMRSA-N 2 2 369.940 4.387 20 0 FIADLP Clc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000655682942 1081116402 /nfs/dbraw/zinc/11/64/02/1081116402.db2.gz NVTDXVLIYWORRG-FCHUYYIVSA-N 2 2 370.924 4.272 20 0 FIADLP Cc1ccc(C)c([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000655703970 1081125176 /nfs/dbraw/zinc/12/51/76/1081125176.db2.gz OKFOETYFLWDFDX-VWNXMTODSA-N 2 2 364.533 4.236 20 0 FIADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655703403 1081127389 /nfs/dbraw/zinc/12/73/89/1081127389.db2.gz PIHFWVWFNQAKCM-KXBFYZLASA-N 2 2 371.550 4.022 20 0 FIADLP c1csc(C([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2cccs2)c1 ZINC000655729569 1081147304 /nfs/dbraw/zinc/14/73/04/1081147304.db2.gz KLOROOCZNCAEPG-MRXNPFEDSA-N 2 2 362.564 4.132 20 0 FIADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000655734395 1081152392 /nfs/dbraw/zinc/15/23/92/1081152392.db2.gz HKPTUQGMORLJEI-RBUKOAKNSA-N 2 2 370.459 4.245 20 0 FIADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655848504 1081257400 /nfs/dbraw/zinc/25/74/00/1081257400.db2.gz GFYYRULWEBSGFA-IOMROCGXSA-N 2 2 372.557 4.228 20 0 FIADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655848504 1081257404 /nfs/dbraw/zinc/25/74/04/1081257404.db2.gz GFYYRULWEBSGFA-IOMROCGXSA-N 2 2 372.557 4.228 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2OC2CCCC2)C[C@H]1c1ccccc1 ZINC000580055513 1081559662 /nfs/dbraw/zinc/55/96/62/1081559662.db2.gz VPPNREWNSVKHHK-IRLDBZIGSA-N 2 2 365.521 4.328 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2OC2CCCC2)C[C@H]1c1ccccc1 ZINC000580055513 1081559664 /nfs/dbraw/zinc/55/96/64/1081559664.db2.gz VPPNREWNSVKHHK-IRLDBZIGSA-N 2 2 365.521 4.328 20 0 FIADLP COC[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(Cl)cc1 ZINC000683818013 1081625909 /nfs/dbraw/zinc/62/59/09/1081625909.db2.gz DHAWTUQCKFBRLW-VQTJNVASSA-N 2 2 369.896 4.335 20 0 FIADLP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1cccc(Cl)c1 ZINC000580368401 1081905884 /nfs/dbraw/zinc/90/58/84/1081905884.db2.gz LOXYSOSDBBRSPD-IBGZPJMESA-N 2 2 373.859 4.451 20 0 FIADLP CCn1nc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000312936525 1082049987 /nfs/dbraw/zinc/04/99/87/1082049987.db2.gz FRPSIODFFOQICF-QUCCMNQESA-N 2 2 362.521 4.056 20 0 FIADLP CCn1nc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000312936525 1082049994 /nfs/dbraw/zinc/04/99/94/1082049994.db2.gz FRPSIODFFOQICF-QUCCMNQESA-N 2 2 362.521 4.056 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc3cc(Br)ccc3o1)CCC2 ZINC000580660591 1082069285 /nfs/dbraw/zinc/06/92/85/1082069285.db2.gz RMGVHXHWMZWRSR-CYBMUJFWSA-N 2 2 374.282 4.367 20 0 FIADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001167429408 1082077188 /nfs/dbraw/zinc/07/71/88/1082077188.db2.gz JKJJDPNMTJTLNQ-MRXNPFEDSA-N 2 2 351.332 4.065 20 0 FIADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001167429408 1082077196 /nfs/dbraw/zinc/07/71/96/1082077196.db2.gz JKJJDPNMTJTLNQ-MRXNPFEDSA-N 2 2 351.332 4.065 20 0 FIADLP CC(C)(C)c1cnc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000684111689 1082225475 /nfs/dbraw/zinc/22/54/75/1082225475.db2.gz QAGMXILHDKLBOK-SFHVURJKSA-N 2 2 357.567 4.442 20 0 FIADLP CC(C)(C)c1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000684111689 1082225482 /nfs/dbraw/zinc/22/54/82/1082225482.db2.gz QAGMXILHDKLBOK-SFHVURJKSA-N 2 2 357.567 4.442 20 0 FIADLP CCCCn1c(SCC[C@@H]2CCCC[N@@H+]2C)nnc1[C@H](CC)[NH+](C)C ZINC000255928298 1082259589 /nfs/dbraw/zinc/25/95/89/1082259589.db2.gz OBIRHGHFDLPSTB-IRXDYDNUSA-N 2 2 367.607 4.057 20 0 FIADLP CCCCn1c(SCC[C@@H]2CCCC[N@H+]2C)nnc1[C@H](CC)[NH+](C)C ZINC000255928298 1082259596 /nfs/dbraw/zinc/25/95/96/1082259596.db2.gz OBIRHGHFDLPSTB-IRXDYDNUSA-N 2 2 367.607 4.057 20 0 FIADLP c1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2nc3ccccc3o2)cc1 ZINC000656402049 1082331978 /nfs/dbraw/zinc/33/19/78/1082331978.db2.gz CVJQQOOFSREAGA-KEZQHZCBSA-N 2 2 373.500 4.170 20 0 FIADLP c1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2nc3ccccc3o2)cc1 ZINC000656402049 1082331985 /nfs/dbraw/zinc/33/19/85/1082331985.db2.gz CVJQQOOFSREAGA-KEZQHZCBSA-N 2 2 373.500 4.170 20 0 FIADLP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2Cc2nc3ccccc3o2)cc1 ZINC000656402049 1082331994 /nfs/dbraw/zinc/33/19/94/1082331994.db2.gz CVJQQOOFSREAGA-KEZQHZCBSA-N 2 2 373.500 4.170 20 0 FIADLP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2Cc2nc3ccccc3o2)cc1 ZINC000656402049 1082332001 /nfs/dbraw/zinc/33/20/01/1082332001.db2.gz CVJQQOOFSREAGA-KEZQHZCBSA-N 2 2 373.500 4.170 20 0 FIADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(F)cn1 ZINC000558241369 1082390263 /nfs/dbraw/zinc/39/02/63/1082390263.db2.gz NGHVENHVHRILSP-IQUTYRLHSA-N 2 2 363.502 4.025 20 0 FIADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(F)cn1 ZINC000558241369 1082390270 /nfs/dbraw/zinc/39/02/70/1082390270.db2.gz NGHVENHVHRILSP-IQUTYRLHSA-N 2 2 363.502 4.025 20 0 FIADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CCS2 ZINC000276094366 1082429315 /nfs/dbraw/zinc/42/93/15/1082429315.db2.gz DHIHALZOLXIWOQ-FQEVSTJZSA-N 2 2 365.502 4.267 20 0 FIADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000581278679 1082429947 /nfs/dbraw/zinc/42/99/47/1082429947.db2.gz WVYDVJQGVPGEBQ-YVEFUNNKSA-N 2 2 355.309 4.041 20 0 FIADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000581278679 1082429952 /nfs/dbraw/zinc/42/99/52/1082429952.db2.gz WVYDVJQGVPGEBQ-YVEFUNNKSA-N 2 2 355.309 4.041 20 0 FIADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000581278679 1082429956 /nfs/dbraw/zinc/42/99/56/1082429956.db2.gz WVYDVJQGVPGEBQ-YVEFUNNKSA-N 2 2 355.309 4.041 20 0 FIADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000581278679 1082429960 /nfs/dbraw/zinc/42/99/60/1082429960.db2.gz WVYDVJQGVPGEBQ-YVEFUNNKSA-N 2 2 355.309 4.041 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCc3ccc(SC)cc32)CC1 ZINC000581369858 1082497520 /nfs/dbraw/zinc/49/75/20/1082497520.db2.gz YKVORYUQESSRDX-HXUWFJFHSA-N 2 2 362.583 4.265 20 0 FIADLP CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000276290238 1082612428 /nfs/dbraw/zinc/61/24/28/1082612428.db2.gz JWAVXFGJBNAEKD-UHFFFAOYSA-N 2 2 362.477 4.026 20 0 FIADLP C[C@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1cccc(OCC[NH+](C)C)c1 ZINC000090228724 1082688379 /nfs/dbraw/zinc/68/83/79/1082688379.db2.gz JMGSFNNJMPHNLO-LBPRGKRZSA-N 2 2 370.390 4.034 20 0 FIADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(C(F)F)cc2)cc1F ZINC000656790214 1082772839 /nfs/dbraw/zinc/77/28/39/1082772839.db2.gz RVYNIKGCTJKZJB-WMZOPIPTSA-N 2 2 364.411 4.007 20 0 FIADLP CC[NH+]1CCC([N@H+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000891562405 1082939220 /nfs/dbraw/zinc/93/92/20/1082939220.db2.gz QRRDVIYIZZKIIA-UHFFFAOYSA-N 2 2 353.532 4.011 20 0 FIADLP CC[NH+]1CCC([N@@H+](C)Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000891562405 1082939224 /nfs/dbraw/zinc/93/92/24/1082939224.db2.gz QRRDVIYIZZKIIA-UHFFFAOYSA-N 2 2 353.532 4.011 20 0 FIADLP COc1ccccc1[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC000090535125 1083301282 /nfs/dbraw/zinc/30/12/82/1083301282.db2.gz IDURWJSLCXWOTJ-QFIPXVFZSA-N 2 2 363.461 4.031 20 0 FIADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)c1C ZINC000658227111 1083361092 /nfs/dbraw/zinc/36/10/92/1083361092.db2.gz QWNHMJDFAPDSCG-HKUYNNGSSA-N 2 2 357.542 4.017 20 0 FIADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)c1C ZINC000658227111 1083361099 /nfs/dbraw/zinc/36/10/99/1083361099.db2.gz QWNHMJDFAPDSCG-HKUYNNGSSA-N 2 2 357.542 4.017 20 0 FIADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658293078 1083396241 /nfs/dbraw/zinc/39/62/41/1083396241.db2.gz CSVWAXVCMAOHDA-AEFFLSMTSA-N 2 2 368.974 4.054 20 0 FIADLP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295706 1083396819 /nfs/dbraw/zinc/39/68/19/1083396819.db2.gz VCLCZZUSDPLFCV-QFBILLFUSA-N 2 2 356.535 4.122 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000658293710 1083397693 /nfs/dbraw/zinc/39/76/93/1083397693.db2.gz IXVZJDWOKYGQFJ-APWZRJJASA-N 2 2 364.489 4.490 20 0 FIADLP c1cn(-c2csc(C[NH2+]C[C@@H]3CCCO[C@H]3c3ccccc3)c2)c[nH+]1 ZINC001648924803 1084002989 /nfs/dbraw/zinc/00/29/89/1084002989.db2.gz SPEDUVFSSVZBLX-PXNSSMCTSA-N 2 2 353.491 4.191 20 0 FIADLP CCn1nc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c2ccccc21 ZINC000472039306 1084140274 /nfs/dbraw/zinc/14/02/74/1084140274.db2.gz WMRVZUZROSZVGO-HRAATJIYSA-N 2 2 368.550 4.290 20 0 FIADLP CCn1nc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c2ccccc21 ZINC000472039306 1084140277 /nfs/dbraw/zinc/14/02/77/1084140277.db2.gz WMRVZUZROSZVGO-HRAATJIYSA-N 2 2 368.550 4.290 20 0 FIADLP Brc1cccc2c(C[NH2+]CCCn3cc[nH+]c3)csc21 ZINC000657285739 1084230067 /nfs/dbraw/zinc/23/00/67/1084230067.db2.gz IHCQZJNSELDHRK-UHFFFAOYSA-N 2 2 350.285 4.040 20 0 FIADLP C[NH+]1CCC([NH2+][C@H](c2ccccc2)c2cccc(Br)c2)CC1 ZINC000414057160 1084381201 /nfs/dbraw/zinc/38/12/01/1084381201.db2.gz FJCFTUSLWNVGHC-LJQANCHMSA-N 2 2 359.311 4.222 20 0 FIADLP CCn1c2ccccc2nc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000685850863 1084387057 /nfs/dbraw/zinc/38/70/57/1084387057.db2.gz KCEYPLPOQNKTLG-NHCUHLMSSA-N 2 2 374.532 4.010 20 0 FIADLP CCn1c2ccccc2nc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000685850863 1084387068 /nfs/dbraw/zinc/38/70/68/1084387068.db2.gz KCEYPLPOQNKTLG-NHCUHLMSSA-N 2 2 374.532 4.010 20 0 FIADLP CCn1c2ccccc2nc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000685850863 1084387076 /nfs/dbraw/zinc/38/70/76/1084387076.db2.gz KCEYPLPOQNKTLG-NHCUHLMSSA-N 2 2 374.532 4.010 20 0 FIADLP CCn1c2ccccc2nc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000685850863 1084387097 /nfs/dbraw/zinc/38/70/97/1084387097.db2.gz KCEYPLPOQNKTLG-NHCUHLMSSA-N 2 2 374.532 4.010 20 0 FIADLP CC(C)C[NH+]1CCC([NH2+]Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000892532909 1084468558 /nfs/dbraw/zinc/46/85/58/1084468558.db2.gz UADODAHCDSEDLN-UHFFFAOYSA-N 2 2 367.559 4.305 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCOc3cc4c(cc31)CCC4)CCC2 ZINC000431337480 1084514035 /nfs/dbraw/zinc/51/40/35/1084514035.db2.gz NMFSSJSKWCSAFL-AZUAARDMSA-N 2 2 351.494 4.061 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414092657 1084522994 /nfs/dbraw/zinc/52/29/94/1084522994.db2.gz FKNFFGUHZBYJEC-LSTHTHJFSA-N 2 2 359.558 4.179 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414092656 1084523393 /nfs/dbraw/zinc/52/33/93/1084523393.db2.gz FKNFFGUHZBYJEC-AHRSYUTCSA-N 2 2 359.558 4.179 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414166173 1084726505 /nfs/dbraw/zinc/72/65/05/1084726505.db2.gz DOGCFYIWBIQAFS-BXIUTXANSA-N 2 2 373.903 4.230 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414166173 1084726514 /nfs/dbraw/zinc/72/65/14/1084726514.db2.gz DOGCFYIWBIQAFS-BXIUTXANSA-N 2 2 373.903 4.230 20 0 FIADLP COC(=O)c1csc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001167573340 1084992186 /nfs/dbraw/zinc/99/21/86/1084992186.db2.gz UVBUHRUEIDNFIJ-LPHOPBHVSA-N 2 2 372.534 4.020 20 0 FIADLP COC(=O)c1csc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001167573340 1084992190 /nfs/dbraw/zinc/99/21/90/1084992190.db2.gz UVBUHRUEIDNFIJ-LPHOPBHVSA-N 2 2 372.534 4.020 20 0 FIADLP COC(=O)c1csc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001167573340 1084992192 /nfs/dbraw/zinc/99/21/92/1084992192.db2.gz UVBUHRUEIDNFIJ-LPHOPBHVSA-N 2 2 372.534 4.020 20 0 FIADLP COC(=O)c1csc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001167573340 1084992197 /nfs/dbraw/zinc/99/21/97/1084992197.db2.gz UVBUHRUEIDNFIJ-LPHOPBHVSA-N 2 2 372.534 4.020 20 0 FIADLP CC(C)COc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000582503517 1085072800 /nfs/dbraw/zinc/07/28/00/1085072800.db2.gz OMAQCNKFNVZJTI-UHFFFAOYSA-N 2 2 353.441 4.336 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccccc1 ZINC000657648432 1085752400 /nfs/dbraw/zinc/75/24/00/1085752400.db2.gz KTUMKZQRASUXSW-IBGZPJMESA-N 2 2 367.880 4.082 20 0 FIADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000709636898 1086001744 /nfs/dbraw/zinc/00/17/44/1086001744.db2.gz QJDRAEPZZWSYSL-BHIFYINESA-N 2 2 356.554 4.369 20 0 FIADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000709636898 1086001758 /nfs/dbraw/zinc/00/17/58/1086001758.db2.gz QJDRAEPZZWSYSL-BHIFYINESA-N 2 2 356.554 4.369 20 0 FIADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000248498541 1086174849 /nfs/dbraw/zinc/17/48/49/1086174849.db2.gz MHBAEBWCMBGKHO-CHWSQXEVSA-N 2 2 373.310 4.065 20 0 FIADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000248498541 1086174855 /nfs/dbraw/zinc/17/48/55/1086174855.db2.gz MHBAEBWCMBGKHO-CHWSQXEVSA-N 2 2 373.310 4.065 20 0 FIADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1c(F)ccc(O)c1F ZINC000511232258 1086301217 /nfs/dbraw/zinc/30/12/17/1086301217.db2.gz HIUJBHQGQOEHJS-UHFFFAOYSA-N 2 2 372.415 4.185 20 0 FIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1c(F)ccc(O)c1F ZINC000511232258 1086301257 /nfs/dbraw/zinc/30/12/57/1086301257.db2.gz HIUJBHQGQOEHJS-UHFFFAOYSA-N 2 2 372.415 4.185 20 0 FIADLP COc1ccc(-c2nc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cs2)cc1 ZINC000663347061 1086447998 /nfs/dbraw/zinc/44/79/98/1086447998.db2.gz HGSKDDNGSGAHTI-KRWDZBQOSA-N 2 2 371.550 4.030 20 0 FIADLP COc1ccc(-c2nc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cs2)cc1 ZINC000663347061 1086448006 /nfs/dbraw/zinc/44/80/06/1086448006.db2.gz HGSKDDNGSGAHTI-KRWDZBQOSA-N 2 2 371.550 4.030 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cnccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000663354284 1086457264 /nfs/dbraw/zinc/45/72/64/1086457264.db2.gz OJJJJCMISINWTG-CRAIPNDOSA-N 2 2 363.427 4.243 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cnccc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000663354284 1086457268 /nfs/dbraw/zinc/45/72/68/1086457268.db2.gz OJJJJCMISINWTG-CRAIPNDOSA-N 2 2 363.427 4.243 20 0 FIADLP CCCCc1oc2ccccc2c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750275 1086550804 /nfs/dbraw/zinc/55/08/04/1086550804.db2.gz GBGSBWIASOZPOU-GOSISDBHSA-N 2 2 356.510 4.118 20 0 FIADLP Cc1cc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c2cccnc2)ccc1F ZINC000663465801 1086565549 /nfs/dbraw/zinc/56/55/49/1086565549.db2.gz LOUVNPMTTPXAPF-WMZHIEFXSA-N 2 2 367.512 4.330 20 0 FIADLP Cc1cc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c2cccnc2)ccc1F ZINC000663465801 1086565556 /nfs/dbraw/zinc/56/55/56/1086565556.db2.gz LOUVNPMTTPXAPF-WMZHIEFXSA-N 2 2 367.512 4.330 20 0 FIADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000432357166 1086656377 /nfs/dbraw/zinc/65/63/77/1086656377.db2.gz KGVTZCMEOGODMX-UHFFFAOYSA-N 2 2 363.490 4.057 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)s1 ZINC000512028935 1086665325 /nfs/dbraw/zinc/66/53/25/1086665325.db2.gz ZBPMSXHQBBLXRE-CQSZACIVSA-N 2 2 356.322 4.289 20 0 FIADLP Cc1cc(Br)c(C[NH2+]CCCCn2cc[nH+]c2)cc1Cl ZINC000583480743 1086725031 /nfs/dbraw/zinc/72/50/31/1086725031.db2.gz WSFPFDGBWYNWQY-UHFFFAOYSA-N 2 2 356.695 4.177 20 0 FIADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000432414139 1086740212 /nfs/dbraw/zinc/74/02/12/1086740212.db2.gz QLFYOLDSKJEBIO-CABCVRRESA-N 2 2 350.890 4.238 20 0 FIADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000432414139 1086740216 /nfs/dbraw/zinc/74/02/16/1086740216.db2.gz QLFYOLDSKJEBIO-CABCVRRESA-N 2 2 350.890 4.238 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+]CCCOc2ccc(Cl)cc2Cl)s1 ZINC000512097091 1086765989 /nfs/dbraw/zinc/76/59/89/1086765989.db2.gz BZZNQSDXIPHBRI-UHFFFAOYSA-N 2 2 374.337 4.070 20 0 FIADLP C[N@H+](Cc1cccc(C(F)F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000279180055 1086853762 /nfs/dbraw/zinc/85/37/62/1086853762.db2.gz BIAJDXAAAWEEFV-UHFFFAOYSA-N 2 2 359.464 4.158 20 0 FIADLP C[N@@H+](Cc1cccc(C(F)F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000279180055 1086853774 /nfs/dbraw/zinc/85/37/74/1086853774.db2.gz BIAJDXAAAWEEFV-UHFFFAOYSA-N 2 2 359.464 4.158 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647304213 1086920893 /nfs/dbraw/zinc/92/08/93/1086920893.db2.gz ADKWEWHBDNMPKN-TZIWHRDSSA-N 2 2 366.553 4.172 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647304213 1086920896 /nfs/dbraw/zinc/92/08/96/1086920896.db2.gz ADKWEWHBDNMPKN-TZIWHRDSSA-N 2 2 366.553 4.172 20 0 FIADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCn3cc[nH+]c3)s2)cc1 ZINC000151146612 1086966457 /nfs/dbraw/zinc/96/64/57/1086966457.db2.gz OXMPONITPMXHMA-CQSZACIVSA-N 2 2 356.495 4.065 20 0 FIADLP Fc1ccc(CC[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(Cl)c1 ZINC000564528862 1086993130 /nfs/dbraw/zinc/99/31/30/1086993130.db2.gz JRKLWDQBWBUUMO-UHFFFAOYSA-N 2 2 357.860 4.099 20 0 FIADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CCCO2 ZINC000151315612 1087086788 /nfs/dbraw/zinc/08/67/88/1087086788.db2.gz NJOKFKNRDUSNPP-HXUWFJFHSA-N 2 2 351.425 4.074 20 0 FIADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959386 1087289207 /nfs/dbraw/zinc/28/92/07/1087289207.db2.gz DGEJBZFIQGEMQR-HKUYNNGSSA-N 2 2 374.488 4.283 20 0 FIADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959386 1087289218 /nfs/dbraw/zinc/28/92/18/1087289218.db2.gz DGEJBZFIQGEMQR-HKUYNNGSSA-N 2 2 374.488 4.283 20 0 FIADLP C[N@H+](CCc1ccc2ccccc2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968961 1087290402 /nfs/dbraw/zinc/29/04/02/1087290402.db2.gz CGRXFGLSURDLON-UHFFFAOYSA-N 2 2 373.544 4.416 20 0 FIADLP C[N@@H+](CCc1ccc2ccccc2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968961 1087290418 /nfs/dbraw/zinc/29/04/18/1087290418.db2.gz CGRXFGLSURDLON-UHFFFAOYSA-N 2 2 373.544 4.416 20 0 FIADLP COc1ccsc1C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000584378483 1087313397 /nfs/dbraw/zinc/31/33/97/1087313397.db2.gz LMEBORKWFLMVBV-UHFFFAOYSA-N 2 2 361.898 4.309 20 0 FIADLP COc1ccsc1C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000584378483 1087313401 /nfs/dbraw/zinc/31/34/01/1087313401.db2.gz LMEBORKWFLMVBV-UHFFFAOYSA-N 2 2 361.898 4.309 20 0 FIADLP C[C@@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158824861 1087367759 /nfs/dbraw/zinc/36/77/59/1087367759.db2.gz DWJTZZBLFYNRMQ-UZUQRXQVSA-N 2 2 357.457 4.410 20 0 FIADLP Fc1cccc(C[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2cccc(F)c2)c1 ZINC000685662201 1087667618 /nfs/dbraw/zinc/66/76/18/1087667618.db2.gz YURMJIUUJPPSSG-UYAOXDASSA-N 2 2 353.416 4.119 20 0 FIADLP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000685666135 1087669702 /nfs/dbraw/zinc/66/97/02/1087669702.db2.gz ZFDZHOGHERHKBM-KRWDZBQOSA-N 2 2 351.966 4.014 20 0 FIADLP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000685666135 1087669706 /nfs/dbraw/zinc/66/97/06/1087669706.db2.gz ZFDZHOGHERHKBM-KRWDZBQOSA-N 2 2 351.966 4.014 20 0 FIADLP CC(C)[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(F)cc(Br)c1 ZINC000657979240 1087689462 /nfs/dbraw/zinc/68/94/62/1087689462.db2.gz HQXXDUHEOHQCFF-RDJZCZTQSA-N 2 2 366.278 4.086 20 0 FIADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)c(Cl)c1 ZINC000658018827 1087699694 /nfs/dbraw/zinc/69/96/94/1087699694.db2.gz GEXQIAJGAQHZRJ-ONGXEEELSA-N 2 2 354.679 4.034 20 0 FIADLP CC(C)[NH+]1CCC([NH2+][C@H]2CSCc3ccc(Br)cc32)CC1 ZINC000658189956 1087778576 /nfs/dbraw/zinc/77/85/76/1087778576.db2.gz ZDVKCIJQHBNBIB-KRWDZBQOSA-N 2 2 369.372 4.199 20 0 FIADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)c1 ZINC000424259968 1087883027 /nfs/dbraw/zinc/88/30/27/1087883027.db2.gz NTANWXQODNYGCG-INIZCTEOSA-N 2 2 374.912 4.032 20 0 FIADLP c1csc(-c2cc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)no2)c1 ZINC000057889158 1088036340 /nfs/dbraw/zinc/03/63/40/1088036340.db2.gz RMOXASCTMCIHKV-UHFFFAOYSA-N 2 2 359.539 4.491 20 0 FIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCc4cc(F)ccc43)CC2)cc1 ZINC000163508087 1088128887 /nfs/dbraw/zinc/12/88/87/1088128887.db2.gz SYWQBJXOJSADBV-QFIPXVFZSA-N 2 2 353.485 4.138 20 0 FIADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414822692 1088294430 /nfs/dbraw/zinc/29/44/30/1088294430.db2.gz FHUAFLPXHPMLFN-YLJYHZDGSA-N 2 2 353.510 4.125 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1F ZINC000187798264 1088319590 /nfs/dbraw/zinc/31/95/90/1088319590.db2.gz HMAYJYJMFNHMDE-LBPRGKRZSA-N 2 2 355.295 4.113 20 0 FIADLP COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(C(F)(F)F)c1 ZINC001143485525 1088967231 /nfs/dbraw/zinc/96/72/31/1088967231.db2.gz BBSRUALLGLWHFE-INIZCTEOSA-N 2 2 366.383 4.071 20 0 FIADLP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(C(F)(F)F)c1 ZINC001143485525 1088967235 /nfs/dbraw/zinc/96/72/35/1088967235.db2.gz BBSRUALLGLWHFE-INIZCTEOSA-N 2 2 366.383 4.071 20 0 FIADLP Clc1ccccc1C1CC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000509998794 1088987422 /nfs/dbraw/zinc/98/74/22/1088987422.db2.gz OQWNXRBMLSPHML-UHFFFAOYSA-N 2 2 370.924 4.208 20 0 FIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Br)cc1 ZINC000378899793 1089037976 /nfs/dbraw/zinc/03/79/76/1089037976.db2.gz BODGCWSOBVKUTK-CQSZACIVSA-N 2 2 360.299 4.164 20 0 FIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000415063066 1089112847 /nfs/dbraw/zinc/11/28/47/1089112847.db2.gz GWOFESPPDRGFGX-BEFAXECRSA-N 2 2 373.928 4.218 20 0 FIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000415072052 1089128385 /nfs/dbraw/zinc/12/83/85/1089128385.db2.gz XMMQXXZIGBUSST-HSZRJFAPSA-N 2 2 361.489 4.013 20 0 FIADLP CC[NH2+]Cc1ccccc1NCc1c[nH+]c2c(C)cc(Br)cn12 ZINC000414863249 1089208255 /nfs/dbraw/zinc/20/82/55/1089208255.db2.gz IMTJLJYXTAMMCQ-UHFFFAOYSA-N 2 2 373.298 4.127 20 0 FIADLP CC[N@H+](C)[C@@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)c1ccccc1 ZINC000514689929 1089374388 /nfs/dbraw/zinc/37/43/88/1089374388.db2.gz BVWVHAKRYHILLB-HXUWFJFHSA-N 2 2 373.460 4.023 20 0 FIADLP CC[N@@H+](C)[C@@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)c1ccccc1 ZINC000514689929 1089374407 /nfs/dbraw/zinc/37/44/07/1089374407.db2.gz BVWVHAKRYHILLB-HXUWFJFHSA-N 2 2 373.460 4.023 20 0 FIADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000435369706 1089576505 /nfs/dbraw/zinc/57/65/05/1089576505.db2.gz GGYDZCDSYZFTPJ-GHMZBOCLSA-N 2 2 356.322 4.286 20 0 FIADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000435369706 1089576516 /nfs/dbraw/zinc/57/65/16/1089576516.db2.gz GGYDZCDSYZFTPJ-GHMZBOCLSA-N 2 2 356.322 4.286 20 0 FIADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000435371366 1089578157 /nfs/dbraw/zinc/57/81/57/1089578157.db2.gz MKCXAKHBQONPQS-GHMZBOCLSA-N 2 2 356.322 4.286 20 0 FIADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000435371366 1089578173 /nfs/dbraw/zinc/57/81/73/1089578173.db2.gz MKCXAKHBQONPQS-GHMZBOCLSA-N 2 2 356.322 4.286 20 0 FIADLP Fc1ccc(/C=C\C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c(F)c1 ZINC000435388168 1089593675 /nfs/dbraw/zinc/59/36/75/1089593675.db2.gz DLQTYZXULRUOPA-BBIZLLLXSA-N 2 2 357.448 4.017 20 0 FIADLP Fc1ccc(/C=C\C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c(F)c1 ZINC000435388168 1089593691 /nfs/dbraw/zinc/59/36/91/1089593691.db2.gz DLQTYZXULRUOPA-BBIZLLLXSA-N 2 2 357.448 4.017 20 0 FIADLP Cc1cc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)ccc1Cl ZINC000435426835 1089643328 /nfs/dbraw/zinc/64/33/28/1089643328.db2.gz KCKXILCGXZRNHO-QGZVFWFLSA-N 2 2 361.942 4.249 20 0 FIADLP Cc1cc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)ccc1Cl ZINC000435426835 1089643339 /nfs/dbraw/zinc/64/33/39/1089643339.db2.gz KCKXILCGXZRNHO-QGZVFWFLSA-N 2 2 361.942 4.249 20 0 FIADLP Cc1nc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)sc1C ZINC000893018099 1089672262 /nfs/dbraw/zinc/67/22/62/1089672262.db2.gz DYRKIZWSVRLSNO-UHFFFAOYSA-N 2 2 355.507 4.275 20 0 FIADLP Cc1nc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)sc1C ZINC000893018099 1089672268 /nfs/dbraw/zinc/67/22/68/1089672268.db2.gz DYRKIZWSVRLSNO-UHFFFAOYSA-N 2 2 355.507 4.275 20 0 FIADLP c1cn(-c2ccc(C[NH2+][C@@H]3c4ccccc4CC34CCOCC4)cc2)c[nH+]1 ZINC000377723774 1089739741 /nfs/dbraw/zinc/73/97/41/1089739741.db2.gz LIKBRAGWCRUUOT-JOCHJYFZSA-N 2 2 359.473 4.056 20 0 FIADLP CCCc1nc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435697238 1089883425 /nfs/dbraw/zinc/88/34/25/1089883425.db2.gz XSLHYVVJXCGOED-KRWDZBQOSA-N 2 2 361.580 4.301 20 0 FIADLP CCCc1nc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435697238 1089883448 /nfs/dbraw/zinc/88/34/48/1089883448.db2.gz XSLHYVVJXCGOED-KRWDZBQOSA-N 2 2 361.580 4.301 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425402050 1089893767 /nfs/dbraw/zinc/89/37/67/1089893767.db2.gz HUAFXDLVJVFVGK-PZJWPPBQSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425402050 1089893795 /nfs/dbraw/zinc/89/37/95/1089893795.db2.gz HUAFXDLVJVFVGK-PZJWPPBQSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425402050 1089893829 /nfs/dbraw/zinc/89/38/29/1089893829.db2.gz HUAFXDLVJVFVGK-PZJWPPBQSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425402050 1089893844 /nfs/dbraw/zinc/89/38/44/1089893844.db2.gz HUAFXDLVJVFVGK-PZJWPPBQSA-N 2 2 364.537 4.230 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000182087512 1090039754 /nfs/dbraw/zinc/03/97/54/1090039754.db2.gz CPGAEBBZTQVGLH-QGZVFWFLSA-N 2 2 372.944 4.128 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000182087512 1090039778 /nfs/dbraw/zinc/03/97/78/1090039778.db2.gz CPGAEBBZTQVGLH-QGZVFWFLSA-N 2 2 372.944 4.128 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000182091794 1090042505 /nfs/dbraw/zinc/04/25/05/1090042505.db2.gz SCKNQYCEZCYVNK-ZDUSSCGKSA-N 2 2 355.379 4.033 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000182091794 1090042516 /nfs/dbraw/zinc/04/25/16/1090042516.db2.gz SCKNQYCEZCYVNK-ZDUSSCGKSA-N 2 2 355.379 4.033 20 0 FIADLP C[N@@H+]1CC[C@@H]2CC[NH+](CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@@H]2C1 ZINC000549402551 1090232456 /nfs/dbraw/zinc/23/24/56/1090232456.db2.gz DDPJXODTPNFWID-XMSQKQJNSA-N 2 2 356.460 4.123 20 0 FIADLP C[N@H+]1CC[C@@H]2CC[NH+](CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@@H]2C1 ZINC000549402551 1090232465 /nfs/dbraw/zinc/23/24/65/1090232465.db2.gz DDPJXODTPNFWID-XMSQKQJNSA-N 2 2 356.460 4.123 20 0 FIADLP C[NH+]1CC[C@@H]2CC[N@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@@H]2C1 ZINC000549402551 1090232471 /nfs/dbraw/zinc/23/24/71/1090232471.db2.gz DDPJXODTPNFWID-XMSQKQJNSA-N 2 2 356.460 4.123 20 0 FIADLP C[NH+]1CC[C@@H]2CC[N@@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@@H]2C1 ZINC000549402551 1090232476 /nfs/dbraw/zinc/23/24/76/1090232476.db2.gz DDPJXODTPNFWID-XMSQKQJNSA-N 2 2 356.460 4.123 20 0 FIADLP CC(C)Oc1ccccc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000236669536 1090235622 /nfs/dbraw/zinc/23/56/22/1090235622.db2.gz PHIWPBBMEBEPJC-UHFFFAOYSA-N 2 2 367.537 4.298 20 0 FIADLP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cnc5ccccc5n4)C3)C2)cc1 ZINC000659980326 1090353387 /nfs/dbraw/zinc/35/33/87/1090353387.db2.gz TZFPPCMNMOOOOY-DEOSSOPVSA-N 2 2 372.516 4.118 20 0 FIADLP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cnc5ccccc5n4)C3)C2)cc1 ZINC000659980326 1090353394 /nfs/dbraw/zinc/35/33/94/1090353394.db2.gz TZFPPCMNMOOOOY-DEOSSOPVSA-N 2 2 372.516 4.118 20 0 FIADLP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cnc5ccccc5n4)C3)C2)cc1 ZINC000659980326 1090353403 /nfs/dbraw/zinc/35/34/03/1090353403.db2.gz TZFPPCMNMOOOOY-DEOSSOPVSA-N 2 2 372.516 4.118 20 0 FIADLP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cnc5ccccc5n4)C3)C2)cc1 ZINC000659980326 1090353409 /nfs/dbraw/zinc/35/34/09/1090353409.db2.gz TZFPPCMNMOOOOY-DEOSSOPVSA-N 2 2 372.516 4.118 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000659993730 1090378277 /nfs/dbraw/zinc/37/82/77/1090378277.db2.gz RAMIJKXAMZFEMM-NQIIRXRSSA-N 2 2 360.505 4.115 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000659993730 1090378290 /nfs/dbraw/zinc/37/82/90/1090378290.db2.gz RAMIJKXAMZFEMM-NQIIRXRSSA-N 2 2 360.505 4.115 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc3ccccc3n2)CC[NH+]1Cc1ccccc1 ZINC000659993730 1090378296 /nfs/dbraw/zinc/37/82/96/1090378296.db2.gz RAMIJKXAMZFEMM-NQIIRXRSSA-N 2 2 360.505 4.115 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc3ccccc3n2)CC[NH+]1Cc1ccccc1 ZINC000659993730 1090378306 /nfs/dbraw/zinc/37/83/06/1090378306.db2.gz RAMIJKXAMZFEMM-NQIIRXRSSA-N 2 2 360.505 4.115 20 0 FIADLP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000584748622 1090829979 /nfs/dbraw/zinc/82/99/79/1090829979.db2.gz ZJQYMNNXOBCUGX-UHFFFAOYSA-N 2 2 363.509 4.274 20 0 FIADLP CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)[C@@H]1CC1(C)C ZINC000417354634 1090835760 /nfs/dbraw/zinc/83/57/60/1090835760.db2.gz ZUULBSJWDHPQQG-FCHUYYIVSA-N 2 2 371.569 4.414 20 0 FIADLP FC(F)(F)c1ccc(-c2ccc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)o2)cc1 ZINC000584831787 1090932445 /nfs/dbraw/zinc/93/24/45/1090932445.db2.gz OIEQFEVUKNPNGO-AWEZNQCLSA-N 2 2 361.367 4.336 20 0 FIADLP COc1cccc(SCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000660481168 1091610558 /nfs/dbraw/zinc/61/05/58/1091610558.db2.gz JSNHGBCNEDCWPY-QGZVFWFLSA-N 2 2 371.550 4.200 20 0 FIADLP COc1cccc(SCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000660481168 1091610565 /nfs/dbraw/zinc/61/05/65/1091610565.db2.gz JSNHGBCNEDCWPY-QGZVFWFLSA-N 2 2 371.550 4.200 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000512192293 1091851953 /nfs/dbraw/zinc/85/19/53/1091851953.db2.gz CVWFFFOOSLVLSR-PZJWPPBQSA-N 2 2 366.553 4.267 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000512192293 1091851956 /nfs/dbraw/zinc/85/19/56/1091851956.db2.gz CVWFFFOOSLVLSR-PZJWPPBQSA-N 2 2 366.553 4.267 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512192293 1091851960 /nfs/dbraw/zinc/85/19/60/1091851960.db2.gz CVWFFFOOSLVLSR-PZJWPPBQSA-N 2 2 366.553 4.267 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512192293 1091851964 /nfs/dbraw/zinc/85/19/64/1091851964.db2.gz CVWFFFOOSLVLSR-PZJWPPBQSA-N 2 2 366.553 4.267 20 0 FIADLP CC(C)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000187388161 1091878633 /nfs/dbraw/zinc/87/86/33/1091878633.db2.gz AAMZDHUWTTVVNA-XXBNENTESA-N 2 2 351.538 4.464 20 0 FIADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000187388147 1091878746 /nfs/dbraw/zinc/87/87/46/1091878746.db2.gz AAMZDHUWTTVVNA-AUSIDOKSSA-N 2 2 351.538 4.464 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000512195715 1091887693 /nfs/dbraw/zinc/88/76/93/1091887693.db2.gz LYXBXBOVADJRQL-ZWKOTPCHSA-N 2 2 370.516 4.302 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000512195715 1091887699 /nfs/dbraw/zinc/88/76/99/1091887699.db2.gz LYXBXBOVADJRQL-ZWKOTPCHSA-N 2 2 370.516 4.302 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000512195715 1091887705 /nfs/dbraw/zinc/88/77/05/1091887705.db2.gz LYXBXBOVADJRQL-ZWKOTPCHSA-N 2 2 370.516 4.302 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000512195715 1091887719 /nfs/dbraw/zinc/88/77/19/1091887719.db2.gz LYXBXBOVADJRQL-ZWKOTPCHSA-N 2 2 370.516 4.302 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000512214252 1091919062 /nfs/dbraw/zinc/91/90/62/1091919062.db2.gz VNXVXPVIKBFNIA-YLJYHZDGSA-N 2 2 360.590 4.341 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000512214252 1091919065 /nfs/dbraw/zinc/91/90/65/1091919065.db2.gz VNXVXPVIKBFNIA-YLJYHZDGSA-N 2 2 360.590 4.341 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512214252 1091919070 /nfs/dbraw/zinc/91/90/70/1091919070.db2.gz VNXVXPVIKBFNIA-YLJYHZDGSA-N 2 2 360.590 4.341 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512214252 1091919073 /nfs/dbraw/zinc/91/90/73/1091919073.db2.gz VNXVXPVIKBFNIA-YLJYHZDGSA-N 2 2 360.590 4.341 20 0 FIADLP Cc1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccn2)cc1 ZINC000279615442 1091941095 /nfs/dbraw/zinc/94/10/95/1091941095.db2.gz GESGJJLDOQEFBP-HSZRJFAPSA-N 2 2 358.489 4.133 20 0 FIADLP c1c(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)onc1-c1ccccc1 ZINC000512280123 1092002194 /nfs/dbraw/zinc/00/21/94/1092002194.db2.gz VERYYCQBDURHOY-DEOSSOPVSA-N 2 2 373.500 4.440 20 0 FIADLP c1c(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)onc1-c1ccccc1 ZINC000512280123 1092002206 /nfs/dbraw/zinc/00/22/06/1092002206.db2.gz VERYYCQBDURHOY-DEOSSOPVSA-N 2 2 373.500 4.440 20 0 FIADLP c1c(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)onc1-c1ccccc1 ZINC000512280123 1092002213 /nfs/dbraw/zinc/00/22/13/1092002213.db2.gz VERYYCQBDURHOY-DEOSSOPVSA-N 2 2 373.500 4.440 20 0 FIADLP c1c(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)onc1-c1ccccc1 ZINC000512280123 1092002224 /nfs/dbraw/zinc/00/22/24/1092002224.db2.gz VERYYCQBDURHOY-DEOSSOPVSA-N 2 2 373.500 4.440 20 0 FIADLP CCOc1ccc(C[NH+]2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)cc1 ZINC000500473758 1092110572 /nfs/dbraw/zinc/11/05/72/1092110572.db2.gz QQFGFFIUYVYXDS-UHFFFAOYSA-N 2 2 365.452 4.095 20 0 FIADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000512354817 1092125890 /nfs/dbraw/zinc/12/58/90/1092125890.db2.gz LDQOYGNGPVQQGA-KRWDZBQOSA-N 2 2 358.505 4.342 20 0 FIADLP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000521122477 1092500648 /nfs/dbraw/zinc/50/06/48/1092500648.db2.gz QVVOXPYYIWAIJK-HKUYNNGSSA-N 2 2 353.510 4.223 20 0 FIADLP CC(C)(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Oc1cc(F)cc(F)c1 ZINC000512522260 1092630342 /nfs/dbraw/zinc/63/03/42/1092630342.db2.gz RARBNLBLILSCAC-UHFFFAOYSA-N 2 2 363.433 4.159 20 0 FIADLP Cc1cc(-c2noc([C@H](C)[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)n2)ccc1F ZINC000245572083 1092666604 /nfs/dbraw/zinc/66/66/04/1092666604.db2.gz GWBBYACWVZJDHF-XUWXXGDYSA-N 2 2 369.444 4.025 20 0 FIADLP Cc1cc(-c2noc([C@H](C)[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)n2)ccc1F ZINC000245572083 1092666605 /nfs/dbraw/zinc/66/66/05/1092666605.db2.gz GWBBYACWVZJDHF-XUWXXGDYSA-N 2 2 369.444 4.025 20 0 FIADLP COc1cccc(OC)c1C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168015903 1093051992 /nfs/dbraw/zinc/05/19/92/1093051992.db2.gz TXMKTWKUQAYQTN-QZTJIDSGSA-N 2 2 368.521 4.235 20 0 FIADLP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000512650038 1093074415 /nfs/dbraw/zinc/07/44/15/1093074415.db2.gz WNUMDHWYDTWEEG-LILXYRQWSA-N 2 2 365.521 4.103 20 0 FIADLP Brc1cccc2c(N3CCC([NH+]4CCCCC4)CC3)cc[nH+]c12 ZINC000443449114 1093134738 /nfs/dbraw/zinc/13/47/38/1093134738.db2.gz BBAADSBEWIYAOX-UHFFFAOYSA-N 2 2 374.326 4.452 20 0 FIADLP C[C@H]1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168017512 1093151049 /nfs/dbraw/zinc/15/10/49/1093151049.db2.gz AVOOOVGUTFYMBP-GZEZKRSXSA-N 3 2 355.570 4.033 20 0 FIADLP C[C@H]1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168017512 1093151054 /nfs/dbraw/zinc/15/10/54/1093151054.db2.gz AVOOOVGUTFYMBP-GZEZKRSXSA-N 3 2 355.570 4.033 20 0 FIADLP Cc1cccn2cc(C[NH2+]C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)nc12 ZINC001168019711 1093189720 /nfs/dbraw/zinc/18/97/20/1093189720.db2.gz JMLONELZHJAZPN-RTBURBONSA-N 2 2 362.521 4.174 20 0 FIADLP Brc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152222599 1093200012 /nfs/dbraw/zinc/20/00/12/1093200012.db2.gz IOCODLDOXCSKSJ-SFHVURJKSA-N 2 2 368.278 4.412 20 0 FIADLP COc1cc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)ccc1SC ZINC000152254127 1093226949 /nfs/dbraw/zinc/22/69/49/1093226949.db2.gz UVZZUHCPJZTOOT-HNNXBMFYSA-N 2 2 353.491 4.454 20 0 FIADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@H]3C(C)=CCC[C@@H]3C)CCCC2)no1 ZINC000443639439 1093364917 /nfs/dbraw/zinc/36/49/17/1093364917.db2.gz GPOLBGNQUVWFAJ-ROUUACIJSA-N 2 2 360.546 4.263 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513042933 1093689098 /nfs/dbraw/zinc/68/90/98/1093689098.db2.gz VUAKJTCVFNUPAO-GBXCKJPGSA-N 3 2 369.597 4.284 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513042933 1093689103 /nfs/dbraw/zinc/68/91/03/1093689103.db2.gz VUAKJTCVFNUPAO-GBXCKJPGSA-N 3 2 369.597 4.284 20 0 FIADLP c1cc(-c2ncc(C[N@@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)s2)cs1 ZINC000433750479 1094084923 /nfs/dbraw/zinc/08/49/23/1094084923.db2.gz UUPPDAHHYDELQD-HNNXBMFYSA-N 2 2 370.547 4.394 20 0 FIADLP c1cc(-c2ncc(C[N@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)s2)cs1 ZINC000433750479 1094084931 /nfs/dbraw/zinc/08/49/31/1094084931.db2.gz UUPPDAHHYDELQD-HNNXBMFYSA-N 2 2 370.547 4.394 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000513454143 1094130761 /nfs/dbraw/zinc/13/07/61/1094130761.db2.gz CSSDJNRZUUGEGE-UHFFFAOYSA-N 2 2 374.532 4.482 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000513454143 1094130768 /nfs/dbraw/zinc/13/07/68/1094130768.db2.gz CSSDJNRZUUGEGE-UHFFFAOYSA-N 2 2 374.532 4.482 20 0 FIADLP COc1cccc(C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C2CC2)c1 ZINC000513495571 1094163828 /nfs/dbraw/zinc/16/38/28/1094163828.db2.gz RSSSOYLNGBSHGJ-QHCPKHFHSA-N 2 2 361.489 4.051 20 0 FIADLP C[C@@H]1CC([NH2+]Cc2cncnc2C(C)(F)F)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040503 1094514924 /nfs/dbraw/zinc/51/49/24/1094514924.db2.gz NNDYWCPXUNJOIW-HZPDHXFCSA-N 2 2 374.479 4.120 20 0 FIADLP O[C@H]1CC[N@H+](Cc2ccc(CNc3cc[nH+]c4c(Cl)cccc34)cc2)C1 ZINC000664237245 1094598437 /nfs/dbraw/zinc/59/84/37/1094598437.db2.gz REOSUUACWSLTCW-KRWDZBQOSA-N 2 2 367.880 4.067 20 0 FIADLP O[C@H]1CC[N@@H+](Cc2ccc(CNc3cc[nH+]c4c(Cl)cccc34)cc2)C1 ZINC000664237245 1094598452 /nfs/dbraw/zinc/59/84/52/1094598452.db2.gz REOSUUACWSLTCW-KRWDZBQOSA-N 2 2 367.880 4.067 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000474797028 1094612400 /nfs/dbraw/zinc/61/24/00/1094612400.db2.gz PYDZTBWFYYQSNJ-HOTGVXAUSA-N 2 2 352.950 4.311 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000474799737 1094618235 /nfs/dbraw/zinc/61/82/35/1094618235.db2.gz QHDQIWZWYVRQOK-CWRNSKLLSA-N 2 2 370.990 4.373 20 0 FIADLP Clc1ccccc1-c1csc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420377999 1094905541 /nfs/dbraw/zinc/90/55/41/1094905541.db2.gz AWGYTQIBDABVLI-KDOFPFPSSA-N 2 2 361.942 4.428 20 0 FIADLP Clc1ccccc1-c1csc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420377999 1094905544 /nfs/dbraw/zinc/90/55/44/1094905544.db2.gz AWGYTQIBDABVLI-KDOFPFPSSA-N 2 2 361.942 4.428 20 0 FIADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000502305345 1095331553 /nfs/dbraw/zinc/33/15/53/1095331553.db2.gz BLQKZYFKCPXHKR-RCFWFJCLSA-N 2 2 357.448 4.390 20 0 FIADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000502305345 1095331568 /nfs/dbraw/zinc/33/15/68/1095331568.db2.gz BLQKZYFKCPXHKR-RCFWFJCLSA-N 2 2 357.448 4.390 20 0 FIADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502336774 1095372745 /nfs/dbraw/zinc/37/27/45/1095372745.db2.gz WQGFUMULUIPTKJ-HNNXBMFYSA-N 2 2 359.901 4.261 20 0 FIADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502336774 1095372762 /nfs/dbraw/zinc/37/27/62/1095372762.db2.gz WQGFUMULUIPTKJ-HNNXBMFYSA-N 2 2 359.901 4.261 20 0 FIADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1OC ZINC000502329194 1095387570 /nfs/dbraw/zinc/38/75/70/1095387570.db2.gz ZNBKUDQFWBPRLA-GOSISDBHSA-N 2 2 369.509 4.006 20 0 FIADLP CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1OC ZINC000502329194 1095387588 /nfs/dbraw/zinc/38/75/88/1095387588.db2.gz ZNBKUDQFWBPRLA-GOSISDBHSA-N 2 2 369.509 4.006 20 0 FIADLP C[C@@H](C[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1)Cn1cc[nH+]c1 ZINC000421326717 1095524723 /nfs/dbraw/zinc/52/47/23/1095524723.db2.gz OSCYMNGFOAFXOK-SFHVURJKSA-N 2 2 363.509 4.288 20 0 FIADLP Cc1c(Cl)c(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)nn1C ZINC000421331973 1095547481 /nfs/dbraw/zinc/54/74/81/1095547481.db2.gz KRNYXQDZQHYGPI-OAHLLOKOSA-N 2 2 360.933 4.046 20 0 FIADLP Cc1c(Cl)c(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)nn1C ZINC000421331973 1095547486 /nfs/dbraw/zinc/54/74/86/1095547486.db2.gz KRNYXQDZQHYGPI-OAHLLOKOSA-N 2 2 360.933 4.046 20 0 FIADLP C[C@H]([NH2+]Cc1cnc(C(F)(F)F)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000444004942 1095601449 /nfs/dbraw/zinc/60/14/49/1095601449.db2.gz TYJSHPZAVOPMTA-DZGCQCFKSA-N 2 2 369.456 4.162 20 0 FIADLP C[C@H]([NH2+]Cc1cnc(C(F)(F)F)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000444004942 1095601452 /nfs/dbraw/zinc/60/14/52/1095601452.db2.gz TYJSHPZAVOPMTA-DZGCQCFKSA-N 2 2 369.456 4.162 20 0 FIADLP COc1ccc([C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C2CC2)c(F)c1 ZINC000421828388 1095942086 /nfs/dbraw/zinc/94/20/86/1095942086.db2.gz CMRWCJYDDGWNLF-NRFANRHFSA-N 2 2 351.425 4.261 20 0 FIADLP c1csc(-c2cc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)no2)c1 ZINC000503408418 1096388788 /nfs/dbraw/zinc/38/87/88/1096388788.db2.gz HMDCMQTWPGLAHD-OAHLLOKOSA-N 2 2 368.506 4.316 20 0 FIADLP c1csc(-c2cc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)no2)c1 ZINC000503408418 1096388795 /nfs/dbraw/zinc/38/87/95/1096388795.db2.gz HMDCMQTWPGLAHD-OAHLLOKOSA-N 2 2 368.506 4.316 20 0 FIADLP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(OCC(F)(F)F)c1 ZINC000422859987 1096507090 /nfs/dbraw/zinc/50/70/90/1096507090.db2.gz HSWBGEIHCCYGIX-IRXDYDNUSA-N 2 2 350.384 4.171 20 0 FIADLP CCCOc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(OC(F)F)c1 ZINC000422891184 1096515423 /nfs/dbraw/zinc/51/54/23/1096515423.db2.gz UQBDZJVTUREDAG-QZTJIDSGSA-N 2 2 362.420 4.311 20 0 FIADLP Cc1nc(-c2ccc(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)o2)cs1 ZINC000422948908 1096536826 /nfs/dbraw/zinc/53/68/26/1096536826.db2.gz SEIDWAUPPFTVPF-AEFFLSMTSA-N 2 2 353.491 4.294 20 0 FIADLP C[N@@H+]1CC[C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423023098 1096551987 /nfs/dbraw/zinc/55/19/87/1096551987.db2.gz IXTGCFWORMLNGO-OOBDGNPPSA-N 2 2 373.903 4.206 20 0 FIADLP C[N@H+]1CC[C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423023098 1096551995 /nfs/dbraw/zinc/55/19/95/1096551995.db2.gz IXTGCFWORMLNGO-OOBDGNPPSA-N 2 2 373.903 4.206 20 0 FIADLP CN1CC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423023098 1096552003 /nfs/dbraw/zinc/55/20/03/1096552003.db2.gz IXTGCFWORMLNGO-OOBDGNPPSA-N 2 2 373.903 4.206 20 0 FIADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(F)c(Cl)cc1Cl ZINC000423184377 1096596122 /nfs/dbraw/zinc/59/61/22/1096596122.db2.gz HSJQUDARAUGWNF-GFCCVEGCSA-N 2 2 356.272 4.358 20 0 FIADLP FC(F)Oc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)c2ccc(Cl)cc2)cc1 ZINC000423177065 1096605223 /nfs/dbraw/zinc/60/52/23/1096605223.db2.gz DQOLEWCKIBODKI-GOSISDBHSA-N 2 2 366.839 4.372 20 0 FIADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2)c2ccccc21 ZINC000423194089 1096613428 /nfs/dbraw/zinc/61/34/28/1096613428.db2.gz WJIDYDRLQSEKID-HZPDHXFCSA-N 2 2 351.675 4.337 20 0 FIADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423248725 1096629034 /nfs/dbraw/zinc/62/90/34/1096629034.db2.gz SCWQWZZNCLLPNO-SCWSEQNSSA-N 2 2 372.484 4.124 20 0 FIADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423360026 1096656072 /nfs/dbraw/zinc/65/60/72/1096656072.db2.gz FEUVFVWVWFHAKY-AXAPSJFSSA-N 2 2 350.375 4.121 20 0 FIADLP CSc1cccc([C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)c2ccc(F)c(F)c2)c1 ZINC000423405902 1096673718 /nfs/dbraw/zinc/67/37/18/1096673718.db2.gz UHSRGWKSHRPPAC-MRFFXTKBSA-N 2 2 362.489 4.364 20 0 FIADLP CC(C)c1nc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cs1 ZINC000423478017 1096697350 /nfs/dbraw/zinc/69/73/50/1096697350.db2.gz SYCVARQSMDAQQR-QILLFSRXSA-N 2 2 361.530 4.450 20 0 FIADLP c1ccc(-c2ncc(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cn2)cc1 ZINC000532951009 1098624554 /nfs/dbraw/zinc/62/45/54/1098624554.db2.gz HLAFPLCXIKHNDM-HXUWFJFHSA-N 2 2 364.537 4.232 20 0 FIADLP c1ccc(-c2ncc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cn2)cc1 ZINC000532951009 1098624560 /nfs/dbraw/zinc/62/45/60/1098624560.db2.gz HLAFPLCXIKHNDM-HXUWFJFHSA-N 2 2 364.537 4.232 20 0 FIADLP CC(C)[NH2+]C1CC[NH+](CCOc2ccc(Oc3ccccc3)cc2)CC1 ZINC000533052926 1098718378 /nfs/dbraw/zinc/71/83/78/1098718378.db2.gz ZJJSYXCTRNDQKI-UHFFFAOYSA-N 2 2 354.494 4.320 20 0 FIADLP CC[N@H+](Cc1nc(C)cs1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073589 1098740794 /nfs/dbraw/zinc/74/07/94/1098740794.db2.gz FFCRIHFFJJDCKG-UHFFFAOYSA-N 2 2 373.570 4.164 20 0 FIADLP CC[N@@H+](Cc1nc(C)cs1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073589 1098740802 /nfs/dbraw/zinc/74/08/02/1098740802.db2.gz FFCRIHFFJJDCKG-UHFFFAOYSA-N 2 2 373.570 4.164 20 0 FIADLP COCCC1(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CCCCC1 ZINC000436290991 1098906638 /nfs/dbraw/zinc/90/66/38/1098906638.db2.gz KCBLYACGMIGNJP-UHFFFAOYSA-N 2 2 374.573 4.011 20 0 FIADLP CC[NH+](CC)Cc1ccccc1Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001211989061 1098989832 /nfs/dbraw/zinc/98/98/32/1098989832.db2.gz HSVQTFGZKNPOOG-HDICACEKSA-N 2 2 368.525 4.281 20 0 FIADLP CC[N@H+](CCCOC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533519 1099136257 /nfs/dbraw/zinc/13/62/57/1099136257.db2.gz OILOKKRCRPJAEA-UHFFFAOYSA-N 2 2 362.562 4.014 20 0 FIADLP CC[N@@H+](CCCOC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533519 1099136266 /nfs/dbraw/zinc/13/62/66/1099136266.db2.gz OILOKKRCRPJAEA-UHFFFAOYSA-N 2 2 362.562 4.014 20 0 FIADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000516083107 1099163821 /nfs/dbraw/zinc/16/38/21/1099163821.db2.gz MHNXEMGEFCLODY-ZDUSSCGKSA-N 2 2 358.898 4.187 20 0 FIADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000516083107 1099163832 /nfs/dbraw/zinc/16/38/32/1099163832.db2.gz MHNXEMGEFCLODY-ZDUSSCGKSA-N 2 2 358.898 4.187 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(C)[nH+]1 ZINC000455492046 1099275738 /nfs/dbraw/zinc/27/57/38/1099275738.db2.gz YZKJKMQTAQOGCF-IBGZPJMESA-N 2 2 358.530 4.127 20 0 FIADLP COc1ccc(OC)c([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000237414144 1099482643 /nfs/dbraw/zinc/48/26/43/1099482643.db2.gz YXVRAEAIKCWGJO-SFHVURJKSA-N 2 2 368.521 4.062 20 0 FIADLP CC(C)(C)n1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000261905791 1099675029 /nfs/dbraw/zinc/67/50/29/1099675029.db2.gz XAJVRJDCNWZNQA-FQEVSTJZSA-N 2 2 360.933 4.129 20 0 FIADLP CC(C)(C)n1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000261905791 1099675033 /nfs/dbraw/zinc/67/50/33/1099675033.db2.gz XAJVRJDCNWZNQA-FQEVSTJZSA-N 2 2 360.933 4.129 20 0 FIADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866861 1099895951 /nfs/dbraw/zinc/89/59/51/1099895951.db2.gz UZUMPINZNKEABM-DHIUTWEWSA-N 3 2 369.597 4.141 20 0 FIADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866861 1099895966 /nfs/dbraw/zinc/89/59/66/1099895966.db2.gz UZUMPINZNKEABM-DHIUTWEWSA-N 3 2 369.597 4.141 20 0 FIADLP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866861 1099895980 /nfs/dbraw/zinc/89/59/80/1099895980.db2.gz UZUMPINZNKEABM-DHIUTWEWSA-N 3 2 369.597 4.141 20 0 FIADLP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866861 1099895997 /nfs/dbraw/zinc/89/59/97/1099895997.db2.gz UZUMPINZNKEABM-DHIUTWEWSA-N 3 2 369.597 4.141 20 0 FIADLP CCC(CC)n1ccc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000437575000 1099995705 /nfs/dbraw/zinc/99/57/05/1099995705.db2.gz FATPCFXXPQWJHV-UHFFFAOYSA-N 2 2 369.557 4.378 20 0 FIADLP CCC(CC)n1ccc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000437575000 1099995706 /nfs/dbraw/zinc/99/57/06/1099995706.db2.gz FATPCFXXPQWJHV-UHFFFAOYSA-N 2 2 369.557 4.378 20 0 FIADLP C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000459499986 1100237093 /nfs/dbraw/zinc/23/70/93/1100237093.db2.gz MSOSDIPBCKGCET-PAKAJVGYSA-N 2 2 359.473 4.080 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C3CC3)cc2)[C@@H]1c1cnn(C)c1 ZINC000459493191 1100249156 /nfs/dbraw/zinc/24/91/56/1100249156.db2.gz YJXWMVCXDFVHDF-JTHBVZDNSA-N 2 2 366.553 4.203 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C3CC3)cc2)[C@@H]1c1cnn(C)c1 ZINC000459493191 1100249167 /nfs/dbraw/zinc/24/91/67/1100249167.db2.gz YJXWMVCXDFVHDF-JTHBVZDNSA-N 2 2 366.553 4.203 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(C3CC3)cc2)[C@@H]1c1cnn(C)c1 ZINC000459493191 1100249172 /nfs/dbraw/zinc/24/91/72/1100249172.db2.gz YJXWMVCXDFVHDF-JTHBVZDNSA-N 2 2 366.553 4.203 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(C3CC3)cc2)[C@@H]1c1cnn(C)c1 ZINC000459493191 1100249182 /nfs/dbraw/zinc/24/91/82/1100249182.db2.gz YJXWMVCXDFVHDF-JTHBVZDNSA-N 2 2 366.553 4.203 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C)nc2scc(C3CC3)n12 ZINC000459552222 1100299198 /nfs/dbraw/zinc/29/91/98/1100299198.db2.gz SRNJUGYZTUUCAX-UHFFFAOYSA-N 2 2 371.554 4.253 20 0 FIADLP Cc1ccc2cc([C@H](C)[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)oc2c1 ZINC000425937602 1100345882 /nfs/dbraw/zinc/34/58/82/1100345882.db2.gz SJQXIKIZBDDJDV-SFHVURJKSA-N 2 2 364.489 4.424 20 0 FIADLP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)cc1O ZINC000414938965 1100839026 /nfs/dbraw/zinc/83/90/26/1100839026.db2.gz IWPXLVGBMRVEAW-IERDGZPVSA-N 2 2 364.489 4.165 20 0 FIADLP Cc1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc(C)c1OC(F)F ZINC000506368255 1100930740 /nfs/dbraw/zinc/93/07/40/1100930740.db2.gz HPNKXBWRJPOCJB-UHFFFAOYSA-N 2 2 352.469 4.355 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001167964324 1101349286 /nfs/dbraw/zinc/34/92/86/1101349286.db2.gz OXLPUZDLYCQICJ-FNFMLGTDSA-N 3 2 367.581 4.035 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001167964324 1101349297 /nfs/dbraw/zinc/34/92/97/1101349297.db2.gz OXLPUZDLYCQICJ-FNFMLGTDSA-N 3 2 367.581 4.035 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001167964324 1101349313 /nfs/dbraw/zinc/34/93/13/1101349313.db2.gz OXLPUZDLYCQICJ-FNFMLGTDSA-N 3 2 367.581 4.035 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001167964324 1101349328 /nfs/dbraw/zinc/34/93/28/1101349328.db2.gz OXLPUZDLYCQICJ-FNFMLGTDSA-N 3 2 367.581 4.035 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000537014184 1101396896 /nfs/dbraw/zinc/39/68/96/1101396896.db2.gz FQVWTRHRCKPLDB-KSFYIVLOSA-N 2 2 353.485 4.487 20 0 FIADLP COCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(C(C)(C)C)cc3)o2)CC1 ZINC000439470080 1101472467 /nfs/dbraw/zinc/47/24/67/1101472467.db2.gz NZESGZBLTQFJPW-UHFFFAOYSA-N 2 2 370.537 4.445 20 0 FIADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CC[C@@H](c4ccccc4)C3)C2)cc1 ZINC000428533909 1101548828 /nfs/dbraw/zinc/54/88/28/1101548828.db2.gz JEGSJPOEMYORHG-TZRRMPRUSA-N 2 2 364.533 4.203 20 0 FIADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CC[C@@H](c4ccccc4)C3)C2)cc1 ZINC000428533909 1101548833 /nfs/dbraw/zinc/54/88/33/1101548833.db2.gz JEGSJPOEMYORHG-TZRRMPRUSA-N 2 2 364.533 4.203 20 0 FIADLP C[C@H]1C[C@@H]1C[N@H+](Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000518848376 1101637003 /nfs/dbraw/zinc/63/70/03/1101637003.db2.gz CUBHVXITGSNHKC-GOEBONIOSA-N 2 2 351.332 4.001 20 0 FIADLP C[C@H]1C[C@@H]1C[N@@H+](Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000518848376 1101637008 /nfs/dbraw/zinc/63/70/08/1101637008.db2.gz CUBHVXITGSNHKC-GOEBONIOSA-N 2 2 351.332 4.001 20 0 FIADLP C[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000537428057 1101780175 /nfs/dbraw/zinc/78/01/75/1101780175.db2.gz RNRXBAKQZKTQQD-SFHVURJKSA-N 2 2 368.525 4.185 20 0 FIADLP CC(C)(C)c1nc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cs1 ZINC000415007409 1101952175 /nfs/dbraw/zinc/95/21/75/1101952175.db2.gz RIESGHWYGHHAKH-MAUKXSAKSA-N 2 2 361.530 4.063 20 0 FIADLP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001168177398 1101993883 /nfs/dbraw/zinc/99/38/83/1101993883.db2.gz PPZZKZSXZWZCHC-WMQCIHAUSA-N 2 2 369.940 4.120 20 0 FIADLP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001168177398 1101993888 /nfs/dbraw/zinc/99/38/88/1101993888.db2.gz PPZZKZSXZWZCHC-WMQCIHAUSA-N 2 2 369.940 4.120 20 0 FIADLP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001168177398 1101993891 /nfs/dbraw/zinc/99/38/91/1101993891.db2.gz PPZZKZSXZWZCHC-WMQCIHAUSA-N 2 2 369.940 4.120 20 0 FIADLP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001168177398 1101993896 /nfs/dbraw/zinc/99/38/96/1101993896.db2.gz PPZZKZSXZWZCHC-WMQCIHAUSA-N 2 2 369.940 4.120 20 0 FIADLP Cc1cccn2c(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cnc12 ZINC000537630376 1102227134 /nfs/dbraw/zinc/22/71/34/1102227134.db2.gz RBLSZJJJMXWPEC-FPOVZHCZSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccn2c(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cnc12 ZINC000537630376 1102227141 /nfs/dbraw/zinc/22/71/41/1102227141.db2.gz RBLSZJJJMXWPEC-FPOVZHCZSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccn2c(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cnc12 ZINC000537630376 1102227148 /nfs/dbraw/zinc/22/71/48/1102227148.db2.gz RBLSZJJJMXWPEC-FPOVZHCZSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccn2c(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cnc12 ZINC000537630376 1102227157 /nfs/dbraw/zinc/22/71/57/1102227157.db2.gz RBLSZJJJMXWPEC-FPOVZHCZSA-N 2 2 362.521 4.128 20 0 FIADLP c1cn(-c2ccc(-c3noc([C@@H]4CCC[NH2+][C@H]4c4ccccc4)n3)cc2)c[nH+]1 ZINC001211848768 1102241604 /nfs/dbraw/zinc/24/16/04/1102241604.db2.gz PAHKQQYQMXVWNG-UXHICEINSA-N 2 2 371.444 4.131 20 0 FIADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)ccc1F ZINC000090667319 1102305941 /nfs/dbraw/zinc/30/59/41/1102305941.db2.gz YKOBLFYXMNFCDI-CVEARBPZSA-N 2 2 357.473 4.106 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC000550797545 1102329271 /nfs/dbraw/zinc/32/92/71/1102329271.db2.gz RXVRJZKYRODOAK-POZUXBRTSA-N 2 2 374.326 4.330 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC000550797545 1102329286 /nfs/dbraw/zinc/32/92/86/1102329286.db2.gz RXVRJZKYRODOAK-POZUXBRTSA-N 2 2 374.326 4.330 20 0 FIADLP Clc1cccc2c1CC[C@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000532458896 1102361561 /nfs/dbraw/zinc/36/15/61/1102361561.db2.gz YUPVLKUHQWRQRD-HXUWFJFHSA-N 2 2 351.881 4.404 20 0 FIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(Br)c1 ZINC000121368063 1102391456 /nfs/dbraw/zinc/39/14/56/1102391456.db2.gz VBOPHDJGUHLAAR-AWEZNQCLSA-N 2 2 360.299 4.164 20 0 FIADLP COc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)ccc1SC ZINC000101547197 1102551285 /nfs/dbraw/zinc/55/12/85/1102551285.db2.gz GXUFMKHYXKHMPY-UHFFFAOYSA-N 2 2 353.491 4.235 20 0 FIADLP COc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)ccc1SC ZINC000101547197 1102551294 /nfs/dbraw/zinc/55/12/94/1102551294.db2.gz GXUFMKHYXKHMPY-UHFFFAOYSA-N 2 2 353.491 4.235 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000303792103 1102563227 /nfs/dbraw/zinc/56/32/27/1102563227.db2.gz VDAAXDOYSJRKDN-YKSBVNFPSA-N 2 2 374.532 4.357 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000303792103 1102563239 /nfs/dbraw/zinc/56/32/39/1102563239.db2.gz VDAAXDOYSJRKDN-YKSBVNFPSA-N 2 2 374.532 4.357 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnn(-c3ccccc3)c2)CC[NH+]1Cc1ccccc1 ZINC000303792103 1102563244 /nfs/dbraw/zinc/56/32/44/1102563244.db2.gz VDAAXDOYSJRKDN-YKSBVNFPSA-N 2 2 374.532 4.357 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnn(-c3ccccc3)c2)CC[NH+]1Cc1ccccc1 ZINC000303792103 1102563246 /nfs/dbraw/zinc/56/32/46/1102563246.db2.gz VDAAXDOYSJRKDN-YKSBVNFPSA-N 2 2 374.532 4.357 20 0 FIADLP Cn1ccnc1[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccccc1Cl ZINC000550887374 1102660390 /nfs/dbraw/zinc/66/03/90/1102660390.db2.gz VIRBOMIMDMKIJL-LJQANCHMSA-N 2 2 360.933 4.019 20 0 FIADLP Cc1ccccc1Nc1nc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cs1 ZINC000532651143 1102703416 /nfs/dbraw/zinc/70/34/16/1102703416.db2.gz LEAQSHKQQLCZPW-UHFFFAOYSA-N 2 2 353.495 4.298 20 0 FIADLP COc1cc(F)c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000551051126 1102863643 /nfs/dbraw/zinc/86/36/43/1102863643.db2.gz NSDBUMCRBQJDGP-KNBMTAEXSA-N 2 2 372.484 4.329 20 0 FIADLP COc1cc(F)c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000551051126 1102863655 /nfs/dbraw/zinc/86/36/55/1102863655.db2.gz NSDBUMCRBQJDGP-KNBMTAEXSA-N 2 2 372.484 4.329 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000551198900 1102971542 /nfs/dbraw/zinc/97/15/42/1102971542.db2.gz RJECODFFBYPPFT-HKBOAZHASA-N 2 2 358.913 4.453 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000551198900 1102971544 /nfs/dbraw/zinc/97/15/44/1102971544.db2.gz RJECODFFBYPPFT-HKBOAZHASA-N 2 2 358.913 4.453 20 0 FIADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000532721058 1103113058 /nfs/dbraw/zinc/11/30/58/1103113058.db2.gz RXBFLGLBPBNDIN-CTNGQTDRSA-N 2 2 374.488 4.278 20 0 FIADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000532721058 1103113064 /nfs/dbraw/zinc/11/30/64/1103113064.db2.gz RXBFLGLBPBNDIN-CTNGQTDRSA-N 2 2 374.488 4.278 20 0 FIADLP Brc1ccccc1-c1ccc(C[NH2+]CCn2cc[nH+]c2)s1 ZINC000236590245 1103291249 /nfs/dbraw/zinc/29/12/49/1103291249.db2.gz CTIDUFHIYSNCJB-UHFFFAOYSA-N 2 2 362.296 4.164 20 0 FIADLP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000551538965 1103339858 /nfs/dbraw/zinc/33/98/58/1103339858.db2.gz PEYANSULLFZHIL-FCHUYYIVSA-N 2 2 361.489 4.267 20 0 FIADLP Fc1ccc(C2(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)CC2)c(F)c1 ZINC000507465545 1103413488 /nfs/dbraw/zinc/41/34/88/1103413488.db2.gz BFFUNYZYBQAXBZ-UHFFFAOYSA-N 2 2 362.386 4.003 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000507523790 1103468871 /nfs/dbraw/zinc/46/88/71/1103468871.db2.gz IPBGUICLXHQMQQ-CHWSQXEVSA-N 2 2 360.386 4.362 20 0 FIADLP C[C@H](Cc1ccccc1F)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000188047327 1103808340 /nfs/dbraw/zinc/80/83/40/1103808340.db2.gz NMFZWHPXQDWGPK-MOPGFXCFSA-N 2 2 370.512 4.246 20 0 FIADLP COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1C ZINC000441319384 1104274423 /nfs/dbraw/zinc/27/44/23/1104274423.db2.gz UUMNAZTZAJNGGW-ZWKOTPCHSA-N 2 2 362.514 4.024 20 0 FIADLP COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1C ZINC000441319384 1104274433 /nfs/dbraw/zinc/27/44/33/1104274433.db2.gz UUMNAZTZAJNGGW-ZWKOTPCHSA-N 2 2 362.514 4.024 20 0 FIADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000536303338 1104638786 /nfs/dbraw/zinc/63/87/86/1104638786.db2.gz YQRHZHKGJXJXBB-DYVFJYSZSA-N 2 2 369.322 4.286 20 0 FIADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000536303338 1104638792 /nfs/dbraw/zinc/63/87/92/1104638792.db2.gz YQRHZHKGJXJXBB-DYVFJYSZSA-N 2 2 369.322 4.286 20 0 FIADLP COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1C ZINC000507754915 1104792551 /nfs/dbraw/zinc/79/25/51/1104792551.db2.gz LBPZHBJESFNXNI-SQNIBIBYSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1C ZINC000507754915 1104792556 /nfs/dbraw/zinc/79/25/56/1104792556.db2.gz LBPZHBJESFNXNI-SQNIBIBYSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1oc([C@H](C)[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1C ZINC000507754915 1104792562 /nfs/dbraw/zinc/79/25/62/1104792562.db2.gz LBPZHBJESFNXNI-SQNIBIBYSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1oc([C@H](C)[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1C ZINC000507754915 1104792566 /nfs/dbraw/zinc/79/25/66/1104792566.db2.gz LBPZHBJESFNXNI-SQNIBIBYSA-N 2 2 362.514 4.022 20 0 FIADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)Nc2ccc3ccccc3c2)[nH+]1 ZINC001168007111 1105126865 /nfs/dbraw/zinc/12/68/65/1105126865.db2.gz ACNPWTXWLGWCRI-OAQYLSRUSA-N 2 2 374.488 4.058 20 0 FIADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)Nc2ccc3ccccc3c2)[nH+]1 ZINC001168007111 1105126868 /nfs/dbraw/zinc/12/68/68/1105126868.db2.gz ACNPWTXWLGWCRI-OAQYLSRUSA-N 2 2 374.488 4.058 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3conc3Cc3ccccc3)C2)CC1 ZINC000507834274 1105240754 /nfs/dbraw/zinc/24/07/54/1105240754.db2.gz SNNYMUWODRCHAI-NRFANRHFSA-N 2 2 367.537 4.209 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3conc3Cc3ccccc3)C2)CC1 ZINC000507834274 1105240759 /nfs/dbraw/zinc/24/07/59/1105240759.db2.gz SNNYMUWODRCHAI-NRFANRHFSA-N 2 2 367.537 4.209 20 0 FIADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3nc4cc(Cl)ccc4n3C)CC2)C1 ZINC000427846622 1105293760 /nfs/dbraw/zinc/29/37/60/1105293760.db2.gz IESQUTMNTDMROX-QAPCUYQASA-N 2 2 374.960 4.359 20 0 FIADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000427850612 1105295043 /nfs/dbraw/zinc/29/50/43/1105295043.db2.gz IOSDICRUVBBBPW-MBSDFSHPSA-N 2 2 365.521 4.350 20 0 FIADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000427850612 1105295047 /nfs/dbraw/zinc/29/50/47/1105295047.db2.gz IOSDICRUVBBBPW-MBSDFSHPSA-N 2 2 365.521 4.350 20 0 FIADLP Fc1cccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccc(Cl)c2)c1 ZINC000427881154 1105300278 /nfs/dbraw/zinc/30/02/78/1105300278.db2.gz XYPMSXWJJIIYKK-QUCCMNQESA-N 2 2 355.844 4.370 20 0 FIADLP Fc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CCn4cc[nH+]c4C2)CCC3)cc1 ZINC000427900206 1105307443 /nfs/dbraw/zinc/30/74/43/1105307443.db2.gz YILMHWXQKDTATR-HZPDHXFCSA-N 2 2 368.481 4.128 20 0 FIADLP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CCn4cc[nH+]c4C2)CCC3)cc1 ZINC000427899701 1105308101 /nfs/dbraw/zinc/30/81/01/1105308101.db2.gz XBRWIWSXOFZRPB-SJORKVTESA-N 2 2 364.518 4.297 20 0 FIADLP C[NH+](C)C1CC[NH+](Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000508042543 1105311165 /nfs/dbraw/zinc/31/11/65/1105311165.db2.gz SULHHXWZNLTACA-UHFFFAOYSA-N 2 2 363.299 4.235 20 0 FIADLP Fc1ccc(/C=C/C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(F)c1 ZINC000475352266 1106743298 /nfs/dbraw/zinc/74/32/98/1106743298.db2.gz UEUVKMBRQFWJDV-OWOJBTEDSA-N 2 2 374.397 4.373 20 0 FIADLP O=C(CCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000450924898 1106818987 /nfs/dbraw/zinc/81/89/87/1106818987.db2.gz HITHJKZSCRDGST-GOSISDBHSA-N 2 2 369.484 4.201 20 0 FIADLP O=C(CCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000450924898 1106819008 /nfs/dbraw/zinc/81/90/08/1106819008.db2.gz HITHJKZSCRDGST-GOSISDBHSA-N 2 2 369.484 4.201 20 0 FIADLP C[C@H](c1ccccc1)[NH+]1CCC(Nc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000301316053 1106989927 /nfs/dbraw/zinc/98/99/27/1106989927.db2.gz NADFZEFDLOFWLR-GOSISDBHSA-N 2 2 365.525 4.104 20 0 FIADLP C[C@H](c1ccccc1)[NH+]1CCC(Nc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000301316053 1106989934 /nfs/dbraw/zinc/98/99/34/1106989934.db2.gz NADFZEFDLOFWLR-GOSISDBHSA-N 2 2 365.525 4.104 20 0 FIADLP CSc1cccc([C@@H]([NH2+]CCc2c[nH+]cn2C)c2cc(F)ccc2F)c1 ZINC000530460386 1107054704 /nfs/dbraw/zinc/05/47/04/1107054704.db2.gz PMIAYFDRDYJBJU-HXUWFJFHSA-N 2 2 373.472 4.342 20 0 FIADLP Cc1nc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c2c([nH+]1)CCCC2 ZINC000302081135 1107294191 /nfs/dbraw/zinc/29/41/91/1107294191.db2.gz JCAPPRCTBZAZOR-BEFAXECRSA-N 2 2 356.539 4.220 20 0 FIADLP Cc1nc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c2c([nH+]1)CCCC2 ZINC000302081135 1107294211 /nfs/dbraw/zinc/29/42/11/1107294211.db2.gz JCAPPRCTBZAZOR-BEFAXECRSA-N 2 2 356.539 4.220 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)cn1 ZINC000840880066 1107325118 /nfs/dbraw/zinc/32/51/18/1107325118.db2.gz IQADQJNAYOFOAT-UHFFFAOYSA-N 2 2 360.383 4.193 20 0 FIADLP CCCc1nc(C)c(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)o1 ZINC000428348667 1107397995 /nfs/dbraw/zinc/39/79/95/1107397995.db2.gz PTAFYSHDHHXRJH-IAGOWNOFSA-N 2 2 355.526 4.182 20 0 FIADLP Cc1nc(C(C)C)oc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000428350517 1107426287 /nfs/dbraw/zinc/42/62/87/1107426287.db2.gz UYYWZIYBRBMYMI-IAGOWNOFSA-N 2 2 355.526 4.353 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCCNc1cccc[nH+]1 ZINC000531199481 1107643930 /nfs/dbraw/zinc/64/39/30/1107643930.db2.gz TUXQPVYJYRYZEY-UHFFFAOYSA-N 2 2 369.900 4.129 20 0 FIADLP c1ccc(COc2ccccc2C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000475577733 1107786486 /nfs/dbraw/zinc/78/64/86/1107786486.db2.gz HFGKVGBBVMBQIH-UHFFFAOYSA-N 2 2 350.506 4.372 20 0 FIADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000531758842 1108127070 /nfs/dbraw/zinc/12/70/70/1108127070.db2.gz RZNJRNAIJPWVQY-PMACEKPBSA-N 2 2 374.912 4.067 20 0 FIADLP C[C@@H](CCCc1cccnc1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000453166156 1108238179 /nfs/dbraw/zinc/23/81/79/1108238179.db2.gz HIQMTBUQGUREPH-OALUTQOASA-N 2 2 352.526 4.003 20 0 FIADLP CCc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)o1 ZINC000453231081 1108305036 /nfs/dbraw/zinc/30/50/36/1108305036.db2.gz GQZMJCWHRBPELH-ZCNNSNEGSA-N 2 2 353.510 4.078 20 0 FIADLP CCc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)o1 ZINC000453231081 1108305049 /nfs/dbraw/zinc/30/50/49/1108305049.db2.gz GQZMJCWHRBPELH-ZCNNSNEGSA-N 2 2 353.510 4.078 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000453268928 1108344699 /nfs/dbraw/zinc/34/46/99/1108344699.db2.gz OVCHOCGCGVOMRR-MHHVOYGZSA-N 2 2 363.549 4.466 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000453268928 1108344708 /nfs/dbraw/zinc/34/47/08/1108344708.db2.gz OVCHOCGCGVOMRR-MHHVOYGZSA-N 2 2 363.549 4.466 20 0 FIADLP Cc1nc2c(s1)[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)CCC2 ZINC000453242469 1108349712 /nfs/dbraw/zinc/34/97/12/1108349712.db2.gz XYJHCGCQHVDJHI-OAHLLOKOSA-N 2 2 358.898 4.458 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3cc(C)c(C)o3)CC2)cc1 ZINC000453324997 1108418773 /nfs/dbraw/zinc/41/87/73/1108418773.db2.gz LWODFPSWSITCAN-MRXNPFEDSA-N 2 2 369.509 4.170 20 0 FIADLP c1nc(C2CC2)oc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453366409 1108482955 /nfs/dbraw/zinc/48/29/55/1108482955.db2.gz RSFPVRPQIZZBQZ-ACRUOGEOSA-N 2 2 351.494 4.085 20 0 FIADLP c1nc(C2CC2)oc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453366409 1108482959 /nfs/dbraw/zinc/48/29/59/1108482959.db2.gz RSFPVRPQIZZBQZ-ACRUOGEOSA-N 2 2 351.494 4.085 20 0 FIADLP c1nc(C2CC2)oc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453366414 1108483195 /nfs/dbraw/zinc/48/31/95/1108483195.db2.gz RSFPVRPQIZZBQZ-PCCBWWKXSA-N 2 2 351.494 4.085 20 0 FIADLP c1nc(C2CC2)oc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453366414 1108483204 /nfs/dbraw/zinc/48/32/04/1108483204.db2.gz RSFPVRPQIZZBQZ-PCCBWWKXSA-N 2 2 351.494 4.085 20 0 FIADLP Cc1ccc(-n2cc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)c(C(C)(C)C)n2)cc1 ZINC000532092583 1108651165 /nfs/dbraw/zinc/65/11/65/1108651165.db2.gz JPMDMXMVAJUUMO-SFHVURJKSA-N 2 2 365.525 4.101 20 0 FIADLP CC[NH+]1CCC([NH2+]Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000532094384 1108652767 /nfs/dbraw/zinc/65/27/67/1108652767.db2.gz JGBRMVPODJSDKW-UHFFFAOYSA-N 2 2 354.542 4.052 20 0 FIADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1Cl ZINC000193815014 1108797010 /nfs/dbraw/zinc/79/70/10/1108797010.db2.gz MJASDEBUJGUSOP-UHFFFAOYSA-N 2 2 357.929 4.182 20 0 FIADLP Cc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1Cl ZINC000193815014 1108797019 /nfs/dbraw/zinc/79/70/19/1108797019.db2.gz MJASDEBUJGUSOP-UHFFFAOYSA-N 2 2 357.929 4.182 20 0 FIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(Br)cs1 ZINC000193973520 1108801864 /nfs/dbraw/zinc/80/18/64/1108801864.db2.gz LNOHLVDHDBTQQU-GFCCVEGCSA-N 2 2 366.328 4.225 20 0 FIADLP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000360077533 1108835144 /nfs/dbraw/zinc/83/51/44/1108835144.db2.gz BSUBAMZAXDXGCP-ZIAGYGMSSA-N 2 2 363.889 4.090 20 0 FIADLP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000360077257 1108835991 /nfs/dbraw/zinc/83/59/91/1108835991.db2.gz BSUBAMZAXDXGCP-KBPBESRZSA-N 2 2 363.889 4.090 20 0 FIADLP C[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC000508563187 1109197962 /nfs/dbraw/zinc/19/79/62/1109197962.db2.gz YUXOHLBLADTNBP-GOSISDBHSA-N 2 2 373.928 4.088 20 0 FIADLP C[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC000508563187 1109197963 /nfs/dbraw/zinc/19/79/63/1109197963.db2.gz YUXOHLBLADTNBP-GOSISDBHSA-N 2 2 373.928 4.088 20 0 FIADLP C[NH+](Cc1cc(Cl)ccc1OCc1cccnc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000508563187 1109197965 /nfs/dbraw/zinc/19/79/65/1109197965.db2.gz YUXOHLBLADTNBP-GOSISDBHSA-N 2 2 373.928 4.088 20 0 FIADLP C[NH+](Cc1cc(Cl)ccc1OCc1cccnc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000508563187 1109197967 /nfs/dbraw/zinc/19/79/67/1109197967.db2.gz YUXOHLBLADTNBP-GOSISDBHSA-N 2 2 373.928 4.088 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(Oc3cccnc3)c(C)c1)CCC2 ZINC000525182832 1109293857 /nfs/dbraw/zinc/29/38/57/1109293857.db2.gz MFXNDHVKUDMROL-LJQANCHMSA-N 2 2 362.477 4.354 20 0 FIADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CO2 ZINC000447596562 1109591083 /nfs/dbraw/zinc/59/10/83/1109591083.db2.gz CSEOOJHMAMUUJE-HUUJSLGLSA-N 2 2 352.453 4.044 20 0 FIADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CO2 ZINC000447596562 1109591087 /nfs/dbraw/zinc/59/10/87/1109591087.db2.gz CSEOOJHMAMUUJE-HUUJSLGLSA-N 2 2 352.453 4.044 20 0 FIADLP Fc1cc(Br)ccc1[C@H]([NH2+]CCCCn1cc[nH+]c1)C1CC1 ZINC000526041848 1109600049 /nfs/dbraw/zinc/60/00/49/1109600049.db2.gz DJMLGRBDWYDRDA-QGZVFWFLSA-N 2 2 366.278 4.306 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)c(Br)cc1F ZINC000527750591 1109821273 /nfs/dbraw/zinc/82/12/73/1109821273.db2.gz AOJXAOHTFHUAFS-SRVKXCTJSA-N 2 2 359.258 4.005 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)c(Br)cc1F ZINC000527750591 1109821278 /nfs/dbraw/zinc/82/12/78/1109821278.db2.gz AOJXAOHTFHUAFS-SRVKXCTJSA-N 2 2 359.258 4.005 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(F)c(Br)cc1F ZINC000527847331 1109846147 /nfs/dbraw/zinc/84/61/47/1109846147.db2.gz HHHGEAUMWQHAPB-LLVKDONJSA-N 2 2 373.285 4.252 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000527882326 1109848989 /nfs/dbraw/zinc/84/89/89/1109848989.db2.gz AKGQNHAJUKCHPV-HBFSDRIKSA-N 2 2 366.553 4.391 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000527882326 1109848991 /nfs/dbraw/zinc/84/89/91/1109848991.db2.gz AKGQNHAJUKCHPV-HBFSDRIKSA-N 2 2 366.553 4.391 20 0 FIADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cnc(CCc4ccccc4)s3)C2)[nH]1 ZINC000449018209 1109954786 /nfs/dbraw/zinc/95/47/86/1109954786.db2.gz RUXXOLIJLIFCOT-KRWDZBQOSA-N 2 2 352.507 4.031 20 0 FIADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cnc(CCc4ccccc4)s3)C2)[nH]1 ZINC000449018209 1109954787 /nfs/dbraw/zinc/95/47/87/1109954787.db2.gz RUXXOLIJLIFCOT-KRWDZBQOSA-N 2 2 352.507 4.031 20 0 FIADLP Fc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000449029030 1109959564 /nfs/dbraw/zinc/95/95/64/1109959564.db2.gz NKBIIPHVTNRJMA-MRXNPFEDSA-N 2 2 359.514 4.400 20 0 FIADLP Fc1ccccc1-c1ncc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000449029030 1109959567 /nfs/dbraw/zinc/95/95/67/1109959567.db2.gz NKBIIPHVTNRJMA-MRXNPFEDSA-N 2 2 359.514 4.400 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(CCc3ccccc3)s2)[C@@H](C)C1 ZINC000449028944 1109959575 /nfs/dbraw/zinc/95/95/75/1109959575.db2.gz NHULIUGHTDNGAC-FXAWDEMLSA-N 2 2 357.567 4.090 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(CCc3ccccc3)s2)[C@@H](C)C1 ZINC000449028944 1109959577 /nfs/dbraw/zinc/95/95/77/1109959577.db2.gz NHULIUGHTDNGAC-FXAWDEMLSA-N 2 2 357.567 4.090 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(CCc3ccccc3)s2)[C@@H](C)C1 ZINC000449028944 1109959578 /nfs/dbraw/zinc/95/95/78/1109959578.db2.gz NHULIUGHTDNGAC-FXAWDEMLSA-N 2 2 357.567 4.090 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(CCc3ccccc3)s2)[C@@H](C)C1 ZINC000449028944 1109959581 /nfs/dbraw/zinc/95/95/81/1109959581.db2.gz NHULIUGHTDNGAC-FXAWDEMLSA-N 2 2 357.567 4.090 20 0 FIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449037813 1109962431 /nfs/dbraw/zinc/96/24/31/1109962431.db2.gz PFYQDMVLNUBGRV-HXUWFJFHSA-N 2 2 369.578 4.092 20 0 FIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449037813 1109962433 /nfs/dbraw/zinc/96/24/33/1109962433.db2.gz PFYQDMVLNUBGRV-HXUWFJFHSA-N 2 2 369.578 4.092 20 0 FIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449037813 1109962434 /nfs/dbraw/zinc/96/24/34/1109962434.db2.gz PFYQDMVLNUBGRV-HXUWFJFHSA-N 2 2 369.578 4.092 20 0 FIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449037813 1109962435 /nfs/dbraw/zinc/96/24/35/1109962435.db2.gz PFYQDMVLNUBGRV-HXUWFJFHSA-N 2 2 369.578 4.092 20 0 FIADLP C[C@H]1CSC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000449125337 1109980933 /nfs/dbraw/zinc/98/09/33/1109980933.db2.gz JAWPHDQJZROJJL-HTAPYJJXSA-N 2 2 363.530 4.440 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(=O)Nc1ccccc1 ZINC000449145199 1109984803 /nfs/dbraw/zinc/98/48/03/1109984803.db2.gz KWDSZLMHXHOOPO-KRWDZBQOSA-N 2 2 359.558 4.282 20 0 FIADLP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)ccc1F ZINC000449152575 1109985837 /nfs/dbraw/zinc/98/58/37/1109985837.db2.gz GORJGLUANKHGGN-MRXNPFEDSA-N 2 2 352.375 4.082 20 0 FIADLP C[N@H+](Cc1cccnc1C(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000528415933 1109986379 /nfs/dbraw/zinc/98/63/79/1109986379.db2.gz JGOMGAVCJFOEJA-UHFFFAOYSA-N 2 2 363.427 4.197 20 0 FIADLP C[N@@H+](Cc1cccnc1C(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000528415933 1109986381 /nfs/dbraw/zinc/98/63/81/1109986381.db2.gz JGOMGAVCJFOEJA-UHFFFAOYSA-N 2 2 363.427 4.197 20 0 FIADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000449185845 1109994535 /nfs/dbraw/zinc/99/45/35/1109994535.db2.gz OCPWIHJPHDOWCL-HXUWFJFHSA-N 3 2 369.597 4.079 20 0 FIADLP CC(C)COc1ccccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000449209335 1109995898 /nfs/dbraw/zinc/99/58/98/1109995898.db2.gz PLGOTSCGYWJOQC-LJQANCHMSA-N 2 2 367.537 4.432 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449214573 1109996729 /nfs/dbraw/zinc/99/67/29/1109996729.db2.gz WZZGQDYVVBJQCA-QRGRWYIGSA-N 2 2 371.569 4.467 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)c1c(C)noc1C ZINC000449217386 1109999513 /nfs/dbraw/zinc/99/95/13/1109999513.db2.gz YVOSTITVVDSQAN-IERDGZPVSA-N 2 2 355.526 4.428 20 0 FIADLP FC(F)(F)c1ncccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000528485222 1110009179 /nfs/dbraw/zinc/00/91/79/1110009179.db2.gz LROQHBJFRSTIJL-UHFFFAOYSA-N 2 2 364.415 4.013 20 0 FIADLP c1cc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)n(C2CCCC2)n1 ZINC000449332286 1110029014 /nfs/dbraw/zinc/02/90/14/1110029014.db2.gz QTDCBVZAFYGMAN-VXKWHMMOSA-N 2 2 361.493 4.213 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C)C[C@@H]3C)CC2)cc1 ZINC000449523887 1110098747 /nfs/dbraw/zinc/09/87/47/1110098747.db2.gz MKFXTPAAJIPVQA-HYFFOGBASA-N 2 2 357.542 4.024 20 0 FIADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ncc(Cl)cc2Br)CC1 ZINC000529526202 1110283718 /nfs/dbraw/zinc/28/37/18/1110283718.db2.gz IJGFEFJVEOZTHW-UHFFFAOYSA-N 2 2 374.754 4.050 20 0 FIADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2ncc(Cl)cc2Br)CC1 ZINC000529526202 1110283715 /nfs/dbraw/zinc/28/37/15/1110283715.db2.gz IJGFEFJVEOZTHW-UHFFFAOYSA-N 2 2 374.754 4.050 20 0 FIADLP Cc1cccc(Cl)c1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000450465214 1110301501 /nfs/dbraw/zinc/30/15/01/1110301501.db2.gz BRZDYEYUPKUXJE-UHFFFAOYSA-N 2 2 357.929 4.182 20 0 FIADLP Cc1cccc(Cl)c1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000450465214 1110301503 /nfs/dbraw/zinc/30/15/03/1110301503.db2.gz BRZDYEYUPKUXJE-UHFFFAOYSA-N 2 2 357.929 4.182 20 0 FIADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cnc2ccsc2c1 ZINC000538559688 1111194059 /nfs/dbraw/zinc/19/40/59/1111194059.db2.gz IYTKJCCEWFQTBU-RHSMWYFYSA-N 2 2 367.522 4.005 20 0 FIADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000538799919 1111297169 /nfs/dbraw/zinc/29/71/69/1111297169.db2.gz FASNWHJRZXILEJ-XJKSGUPXSA-N 2 2 369.372 4.087 20 0 FIADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000538799919 1111297173 /nfs/dbraw/zinc/29/71/73/1111297173.db2.gz FASNWHJRZXILEJ-XJKSGUPXSA-N 2 2 369.372 4.087 20 0 FIADLP CSc1cc(Br)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000538799919 1111297177 /nfs/dbraw/zinc/29/71/77/1111297177.db2.gz FASNWHJRZXILEJ-XJKSGUPXSA-N 2 2 369.372 4.087 20 0 FIADLP CSc1cc(Br)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000538799919 1111297180 /nfs/dbraw/zinc/29/71/80/1111297180.db2.gz FASNWHJRZXILEJ-XJKSGUPXSA-N 2 2 369.372 4.087 20 0 FIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+]C1CC[NH+](CC)CC1 ZINC000461800241 1111368136 /nfs/dbraw/zinc/36/81/36/1111368136.db2.gz SEIYWDZQTMHPRC-UHFFFAOYSA-N 2 2 369.509 4.237 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccc(OC)c1 ZINC000539051626 1111400208 /nfs/dbraw/zinc/40/02/08/1111400208.db2.gz AELFTVWOLOKFLO-HTAPYJJXSA-N 2 2 353.510 4.357 20 0 FIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c(C)c1 ZINC000539054824 1111402076 /nfs/dbraw/zinc/40/20/76/1111402076.db2.gz RLRWSCPXULYYME-FXAWDEMLSA-N 2 2 363.461 4.321 20 0 FIADLP C[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3C(F)(F)F)nc2)CC1 ZINC000462106479 1111494724 /nfs/dbraw/zinc/49/47/24/1111494724.db2.gz SVQWPTCNGWEKFV-UHFFFAOYSA-N 2 2 365.399 4.077 20 0 FIADLP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)c1ccccc1 ZINC000478035367 1111648040 /nfs/dbraw/zinc/64/80/40/1111648040.db2.gz GAUOFVYTDJTXFU-LJQANCHMSA-N 2 2 359.901 4.033 20 0 FIADLP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)c1ccccc1 ZINC000478035367 1111648042 /nfs/dbraw/zinc/64/80/42/1111648042.db2.gz GAUOFVYTDJTXFU-LJQANCHMSA-N 2 2 359.901 4.033 20 0 FIADLP CC(C)[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000478274565 1111732840 /nfs/dbraw/zinc/73/28/40/1111732840.db2.gz BKFUCERTDKUGIZ-UHFFFAOYSA-N 2 2 368.569 4.191 20 0 FIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2CCCc3nn(C)cc32)CCCC1)c1ccccc1 ZINC000479052383 1111941442 /nfs/dbraw/zinc/94/14/42/1111941442.db2.gz BBCYZTFSJKJUPB-YLJYHZDGSA-N 2 2 352.526 4.051 20 0 FIADLP CC[NH+]1CCC([NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479350431 1111996197 /nfs/dbraw/zinc/99/61/97/1111996197.db2.gz NJBJSESIWUPMBR-QGZVFWFLSA-N 2 2 355.295 4.113 20 0 FIADLP Fc1cc(Br)ccc1[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000479343969 1112001477 /nfs/dbraw/zinc/00/14/77/1112001477.db2.gz BSUJZUHGRMDETF-SFHVURJKSA-N 2 2 367.306 4.256 20 0 FIADLP Cc1cc2[nH]c(C[NH2+]C3CC[NH+]([C@@H](C)c4ccncc4)CC3)cc2c(C)c1 ZINC000479452088 1112027982 /nfs/dbraw/zinc/02/79/82/1112027982.db2.gz HTSRUMPMNIFHFQ-SFHVURJKSA-N 2 2 362.521 4.495 20 0 FIADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cc(F)cc(F)c1 ZINC000479488195 1112051379 /nfs/dbraw/zinc/05/13/79/1112051379.db2.gz JUNUWJPHRYXTOV-OSSATUEASA-N 2 2 362.386 4.421 20 0 FIADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cc(F)cc(F)c1 ZINC000479488193 1112051593 /nfs/dbraw/zinc/05/15/93/1112051593.db2.gz JUNUWJPHRYXTOV-LBWKMTJJSA-N 2 2 362.386 4.421 20 0 FIADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)c(Br)c1 ZINC000479542226 1112063395 /nfs/dbraw/zinc/06/33/95/1112063395.db2.gz WFXRMHFOSLMNRH-GRTSSRMGSA-N 2 2 355.295 4.256 20 0 FIADLP Cc1cnc([C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000480200172 1112329187 /nfs/dbraw/zinc/32/91/87/1112329187.db2.gz NCFIKWIHBITEOU-LSTHTHJFSA-N 2 2 355.551 4.403 20 0 FIADLP Cc1cnc([C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000480200172 1112329191 /nfs/dbraw/zinc/32/91/91/1112329191.db2.gz NCFIKWIHBITEOU-LSTHTHJFSA-N 2 2 355.551 4.403 20 0 FIADLP COc1cc(F)c([C@@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)cc1OC ZINC000480253445 1112351378 /nfs/dbraw/zinc/35/13/78/1112351378.db2.gz GVLZVYFTOOBDOM-OAHLLOKOSA-N 2 2 352.494 4.148 20 0 FIADLP COc1cc(F)c([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1OC ZINC000480253445 1112351384 /nfs/dbraw/zinc/35/13/84/1112351384.db2.gz GVLZVYFTOOBDOM-OAHLLOKOSA-N 2 2 352.494 4.148 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@H]1C ZINC000667664286 1112395073 /nfs/dbraw/zinc/39/50/73/1112395073.db2.gz HPQJNSKXAXOQOY-APWZRJJASA-N 2 2 357.473 4.318 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@H]1C ZINC000667664286 1112395078 /nfs/dbraw/zinc/39/50/78/1112395078.db2.gz HPQJNSKXAXOQOY-APWZRJJASA-N 2 2 357.473 4.318 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@H]1C ZINC000667664286 1112395084 /nfs/dbraw/zinc/39/50/84/1112395084.db2.gz HPQJNSKXAXOQOY-APWZRJJASA-N 2 2 357.473 4.318 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@H]1C ZINC000667664286 1112395087 /nfs/dbraw/zinc/39/50/87/1112395087.db2.gz HPQJNSKXAXOQOY-APWZRJJASA-N 2 2 357.473 4.318 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000667667199 1112407894 /nfs/dbraw/zinc/40/78/94/1112407894.db2.gz HOQHDMMMTODGAU-DOMZBBRYSA-N 2 2 351.288 4.110 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3cc(Br)ccc3o2)CC[N@H+]1C ZINC000667667199 1112407895 /nfs/dbraw/zinc/40/78/95/1112407895.db2.gz HOQHDMMMTODGAU-DOMZBBRYSA-N 2 2 351.288 4.110 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3cc(Br)ccc3o2)CC[NH+]1C ZINC000667667199 1112407898 /nfs/dbraw/zinc/40/78/98/1112407898.db2.gz HOQHDMMMTODGAU-DOMZBBRYSA-N 2 2 351.288 4.110 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3cc(Br)ccc3o2)CC[NH+]1C ZINC000667667199 1112407900 /nfs/dbraw/zinc/40/79/00/1112407900.db2.gz HOQHDMMMTODGAU-DOMZBBRYSA-N 2 2 351.288 4.110 20 0 FIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000667681334 1112446697 /nfs/dbraw/zinc/44/66/97/1112446697.db2.gz GMLKYEQSGAWMGZ-IBGZPJMESA-N 2 2 369.484 4.177 20 0 FIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000667681334 1112446700 /nfs/dbraw/zinc/44/67/00/1112446700.db2.gz GMLKYEQSGAWMGZ-IBGZPJMESA-N 2 2 369.484 4.177 20 0 FIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000667681334 1112446702 /nfs/dbraw/zinc/44/67/02/1112446702.db2.gz GMLKYEQSGAWMGZ-IBGZPJMESA-N 2 2 369.484 4.177 20 0 FIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000667681334 1112446704 /nfs/dbraw/zinc/44/67/04/1112446704.db2.gz GMLKYEQSGAWMGZ-IBGZPJMESA-N 2 2 369.484 4.177 20 0 FIADLP CC[N@@H+](Cc1c(C2CCC2)cnn1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667684227 1112452943 /nfs/dbraw/zinc/45/29/43/1112452943.db2.gz OORDSZHDCFXMLL-FQEVSTJZSA-N 2 2 366.553 4.032 20 0 FIADLP CC[N@H+](Cc1c(C2CCC2)cnn1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667684227 1112452947 /nfs/dbraw/zinc/45/29/47/1112452947.db2.gz OORDSZHDCFXMLL-FQEVSTJZSA-N 2 2 366.553 4.032 20 0 FIADLP CC[NH+](Cc1c(C2CCC2)cnn1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667684227 1112452949 /nfs/dbraw/zinc/45/29/49/1112452949.db2.gz OORDSZHDCFXMLL-FQEVSTJZSA-N 2 2 366.553 4.032 20 0 FIADLP CC[NH+](Cc1c(C2CCC2)cnn1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667684227 1112452951 /nfs/dbraw/zinc/45/29/51/1112452951.db2.gz OORDSZHDCFXMLL-FQEVSTJZSA-N 2 2 366.553 4.032 20 0 FIADLP COCCCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000554843260 1112518500 /nfs/dbraw/zinc/51/85/00/1112518500.db2.gz LSPDUTYPIFXBJF-XZOQPEGZSA-N 2 2 352.522 4.061 20 0 FIADLP COCCCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000554843260 1112518501 /nfs/dbraw/zinc/51/85/01/1112518501.db2.gz LSPDUTYPIFXBJF-XZOQPEGZSA-N 2 2 352.522 4.061 20 0 FIADLP COc1ccc(C[C@@H](C)C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1F ZINC000554888141 1112546591 /nfs/dbraw/zinc/54/65/91/1112546591.db2.gz HIWJLFPWMIGPJL-QGZVFWFLSA-N 2 2 367.468 4.048 20 0 FIADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2nc3cccc(Cl)c3n2C)CC1 ZINC000480692047 1112548197 /nfs/dbraw/zinc/54/81/97/1112548197.db2.gz FOAYUYUNRLFIOQ-DNVCBOLYSA-N 2 2 374.960 4.359 20 0 FIADLP CCCc1csc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000554980407 1112596751 /nfs/dbraw/zinc/59/67/51/1112596751.db2.gz AIXXKMJHHOHMTL-LJQANCHMSA-N 2 2 357.567 4.488 20 0 FIADLP CCCc1csc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000554980407 1112596755 /nfs/dbraw/zinc/59/67/55/1112596755.db2.gz AIXXKMJHHOHMTL-LJQANCHMSA-N 2 2 357.567 4.488 20 0 FIADLP CSc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)s1 ZINC000554972429 1112599900 /nfs/dbraw/zinc/59/99/00/1112599900.db2.gz YMXHWWIGQBQQJS-UHFFFAOYSA-N 2 2 362.568 4.008 20 0 FIADLP CO[C@H](C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000555014690 1112622614 /nfs/dbraw/zinc/62/26/14/1112622614.db2.gz KGRNZOPZEJIRCI-UEVCKROQSA-N 2 2 352.522 4.359 20 0 FIADLP CO[C@H](C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000555014690 1112622615 /nfs/dbraw/zinc/62/26/15/1112622615.db2.gz KGRNZOPZEJIRCI-UEVCKROQSA-N 2 2 352.522 4.359 20 0 FIADLP CO[C@H](C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000555014690 1112622618 /nfs/dbraw/zinc/62/26/18/1112622618.db2.gz KGRNZOPZEJIRCI-UEVCKROQSA-N 2 2 352.522 4.359 20 0 FIADLP CO[C@H](C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000555014690 1112622622 /nfs/dbraw/zinc/62/26/22/1112622622.db2.gz KGRNZOPZEJIRCI-UEVCKROQSA-N 2 2 352.522 4.359 20 0 FIADLP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481312654 1112894982 /nfs/dbraw/zinc/89/49/82/1112894982.db2.gz MLVSWMMRBDHOIH-GAJHUEQPSA-N 2 2 368.496 4.071 20 0 FIADLP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481312659 1112895343 /nfs/dbraw/zinc/89/53/43/1112895343.db2.gz MLVSWMMRBDHOIH-SBUREZEXSA-N 2 2 368.496 4.071 20 0 FIADLP COc1ccc(-c2ccncc2)cc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000481917076 1113131771 /nfs/dbraw/zinc/13/17/71/1113131771.db2.gz OVTNGDWGDNGXIG-UHFFFAOYSA-N 2 2 353.510 4.062 20 0 FIADLP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000481917076 1113131772 /nfs/dbraw/zinc/13/17/72/1113131772.db2.gz OVTNGDWGDNGXIG-UHFFFAOYSA-N 2 2 353.510 4.062 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N(C)C)cc1 ZINC000481947676 1113142296 /nfs/dbraw/zinc/14/22/96/1113142296.db2.gz NFGVAJLGMKAEGI-QDSKXPNFSA-N 2 2 365.565 4.098 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N(C)C)cc1 ZINC000481947676 1113142299 /nfs/dbraw/zinc/14/22/99/1113142299.db2.gz NFGVAJLGMKAEGI-QDSKXPNFSA-N 2 2 365.565 4.098 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)cc1 ZINC000481947677 1113142427 /nfs/dbraw/zinc/14/24/27/1113142427.db2.gz NFGVAJLGMKAEGI-ZTCOLXNVSA-N 2 2 365.565 4.098 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)cc1 ZINC000481947677 1113142430 /nfs/dbraw/zinc/14/24/30/1113142430.db2.gz NFGVAJLGMKAEGI-ZTCOLXNVSA-N 2 2 365.565 4.098 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N(C)C)cc1 ZINC000481947674 1113142509 /nfs/dbraw/zinc/14/25/09/1113142509.db2.gz NFGVAJLGMKAEGI-HUVFLSCGSA-N 2 2 365.565 4.098 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N(C)C)cc1 ZINC000481947674 1113142511 /nfs/dbraw/zinc/14/25/11/1113142511.db2.gz NFGVAJLGMKAEGI-HUVFLSCGSA-N 2 2 365.565 4.098 20 0 FIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccccc1 ZINC000482448442 1113262024 /nfs/dbraw/zinc/26/20/24/1113262024.db2.gz NWSAVVNCKSQFSL-PMACEKPBSA-N 2 2 358.551 4.425 20 0 FIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccccc1 ZINC000482448442 1113262026 /nfs/dbraw/zinc/26/20/26/1113262026.db2.gz NWSAVVNCKSQFSL-PMACEKPBSA-N 2 2 358.551 4.425 20 0 FIADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000482462127 1113268575 /nfs/dbraw/zinc/26/85/75/1113268575.db2.gz UVTZSSFLJFSYGV-YADARESESA-N 3 2 374.532 4.028 20 0 FIADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000482462127 1113268577 /nfs/dbraw/zinc/26/85/77/1113268577.db2.gz UVTZSSFLJFSYGV-YADARESESA-N 3 2 374.532 4.028 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3cc4ccncc4s3)C2)n2c1CCCC2 ZINC000668104514 1113332589 /nfs/dbraw/zinc/33/25/89/1113332589.db2.gz ISGWVCHPHGPWJN-INIZCTEOSA-N 2 2 352.507 4.209 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3cc4ccncc4s3)C2)n2c1CCCC2 ZINC000668104514 1113332593 /nfs/dbraw/zinc/33/25/93/1113332593.db2.gz ISGWVCHPHGPWJN-INIZCTEOSA-N 2 2 352.507 4.209 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC[N@@H+]1C ZINC000482791849 1113365705 /nfs/dbraw/zinc/36/57/05/1113365705.db2.gz RUTYAUBGUCXDLV-DOTOQJQBSA-N 2 2 374.960 4.396 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC[N@H+]1C ZINC000482791849 1113365710 /nfs/dbraw/zinc/36/57/10/1113365710.db2.gz RUTYAUBGUCXDLV-DOTOQJQBSA-N 2 2 374.960 4.396 20 0 FIADLP COc1cc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)ccc1OC(F)F ZINC000483134152 1113450069 /nfs/dbraw/zinc/45/00/69/1113450069.db2.gz ABQNCEMSTKJFDG-CQSZACIVSA-N 2 2 373.403 4.333 20 0 FIADLP CCOc1c(Cl)cccc1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000486978717 1113689209 /nfs/dbraw/zinc/68/92/09/1113689209.db2.gz COZKBQSOPXEWPI-UHFFFAOYSA-N 2 2 369.896 4.316 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(Br)c(F)c1)CCC2 ZINC000489541691 1114129884 /nfs/dbraw/zinc/12/98/84/1114129884.db2.gz BVBLFHWAMIVHOQ-GXTWGEPZSA-N 2 2 366.278 4.321 20 0 FIADLP CCCc1nc(C)c(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)o1 ZINC000572487640 1114649783 /nfs/dbraw/zinc/64/97/83/1114649783.db2.gz MPPZPXAODJEZJE-KRWDZBQOSA-N 2 2 361.555 4.259 20 0 FIADLP CCCc1nc(C)c(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)o1 ZINC000572487640 1114649790 /nfs/dbraw/zinc/64/97/90/1114649790.db2.gz MPPZPXAODJEZJE-KRWDZBQOSA-N 2 2 361.555 4.259 20 0 FIADLP CCCc1nc(C)c(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)o1 ZINC000572487640 1114649794 /nfs/dbraw/zinc/64/97/94/1114649794.db2.gz MPPZPXAODJEZJE-KRWDZBQOSA-N 2 2 361.555 4.259 20 0 FIADLP CCCc1nc(C)c(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)o1 ZINC000572487640 1114649799 /nfs/dbraw/zinc/64/97/99/1114649799.db2.gz MPPZPXAODJEZJE-KRWDZBQOSA-N 2 2 361.555 4.259 20 0 FIADLP CC[N@H+](Cc1nc(-c2ccccc2C)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999366 1114872351 /nfs/dbraw/zinc/87/23/51/1114872351.db2.gz CEIDAOQRPXYZOM-UHFFFAOYSA-N 2 2 364.493 4.129 20 0 FIADLP CC[N@@H+](Cc1nc(-c2ccccc2C)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999366 1114872356 /nfs/dbraw/zinc/87/23/56/1114872356.db2.gz CEIDAOQRPXYZOM-UHFFFAOYSA-N 2 2 364.493 4.129 20 0 FIADLP FC(F)(F)c1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc(C(F)(F)F)c1 ZINC000573965913 1115225777 /nfs/dbraw/zinc/22/57/77/1115225777.db2.gz JXOHWRWFNBYCAK-GFCCVEGCSA-N 2 2 363.305 4.094 20 0 FIADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168414116 1115769351 /nfs/dbraw/zinc/76/93/51/1115769351.db2.gz CREUDHOSYJDQHL-QFIPXVFZSA-N 2 2 370.487 4.385 20 0 FIADLP Brc1ccc2[nH+]ccc(NCCCCNc3cccc[nH+]3)c2c1 ZINC000599839800 1115849278 /nfs/dbraw/zinc/84/92/78/1115849278.db2.gz JRJJITTYSVDTHP-UHFFFAOYSA-N 2 2 371.282 4.118 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(Br)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000608070394 1116080876 /nfs/dbraw/zinc/08/08/76/1116080876.db2.gz FZRGIKNIUGPEAZ-CQSZACIVSA-N 2 2 356.267 4.486 20 0 FIADLP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000534058905 1116153408 /nfs/dbraw/zinc/15/34/08/1116153408.db2.gz ICTWHRJKOMSLOL-QGZVFWFLSA-N 2 2 367.306 4.182 20 0 FIADLP FC(F)(F)Oc1cccc(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000534126039 1116160775 /nfs/dbraw/zinc/16/07/75/1116160775.db2.gz BECLCJCJSUGZHA-UHFFFAOYSA-N 2 2 365.399 4.099 20 0 FIADLP c1cn(Cc2ccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)cc2)c[nH+]1 ZINC000534355858 1116188469 /nfs/dbraw/zinc/18/84/69/1116188469.db2.gz ZGVQXBZVJUXHCP-GGAORHGYSA-N 2 2 361.489 4.189 20 0 FIADLP C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535044987 1116262555 /nfs/dbraw/zinc/26/25/55/1116262555.db2.gz DHHNEEDNYOERFI-DZGCQCFKSA-N 2 2 356.857 4.279 20 0 FIADLP C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535044987 1116262557 /nfs/dbraw/zinc/26/25/57/1116262557.db2.gz DHHNEEDNYOERFI-DZGCQCFKSA-N 2 2 356.857 4.279 20 0 FIADLP Clc1cc2cccnc2c(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000535576607 1116329548 /nfs/dbraw/zinc/32/95/48/1116329548.db2.gz POGMETVERYLSII-UHFFFAOYSA-N 2 2 352.869 4.360 20 0 FIADLP COCc1ccc(C[NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000462363991 1116340708 /nfs/dbraw/zinc/34/07/08/1116340708.db2.gz FWNPRYBRNWRGQI-QHCPKHFHSA-N 2 2 352.522 4.006 20 0 FIADLP COCc1ccc(C[NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000462363991 1116340709 /nfs/dbraw/zinc/34/07/09/1116340709.db2.gz FWNPRYBRNWRGQI-QHCPKHFHSA-N 2 2 352.522 4.006 20 0 FIADLP Cc1cc(C)cc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000539688455 1116364866 /nfs/dbraw/zinc/36/48/66/1116364866.db2.gz JESJLJVYXUKGRG-GOSISDBHSA-N 2 2 352.526 4.402 20 0 FIADLP CCOc1ccccc1[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539688773 1116365968 /nfs/dbraw/zinc/36/59/68/1116365968.db2.gz GCQVANYCSRHNAU-KRWDZBQOSA-N 2 2 368.525 4.184 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCC[C@H]3c3ccccc3)[nH+]c2)CC1 ZINC000539691274 1116366198 /nfs/dbraw/zinc/36/61/98/1116366198.db2.gz XWJDDSPNWBYQBT-VXKWHMMOSA-N 2 2 364.537 4.360 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000539852088 1116393032 /nfs/dbraw/zinc/39/30/32/1116393032.db2.gz LVOUYGCTNPNCEF-HOTGVXAUSA-N 2 2 353.348 4.216 20 0 FIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000539852088 1116393035 /nfs/dbraw/zinc/39/30/35/1116393035.db2.gz LVOUYGCTNPNCEF-HOTGVXAUSA-N 2 2 353.348 4.216 20 0 FIADLP CCc1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000539898382 1117740496 /nfs/dbraw/zinc/74/04/96/1117740496.db2.gz WCSUSBYJVWNWJY-ICSRJNTNSA-N 2 2 355.551 4.192 20 0 FIADLP CCc1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000539898382 1117740498 /nfs/dbraw/zinc/74/04/98/1117740498.db2.gz WCSUSBYJVWNWJY-ICSRJNTNSA-N 2 2 355.551 4.192 20 0 FIADLP CCc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000539898382 1117740500 /nfs/dbraw/zinc/74/05/00/1117740500.db2.gz WCSUSBYJVWNWJY-ICSRJNTNSA-N 2 2 355.551 4.192 20 0 FIADLP CCc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000539898382 1117740501 /nfs/dbraw/zinc/74/05/01/1117740501.db2.gz WCSUSBYJVWNWJY-ICSRJNTNSA-N 2 2 355.551 4.192 20 0 FIADLP CC(C)O[C@@H]1C[C@H]([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)C1(C)C ZINC000463022648 1117919771 /nfs/dbraw/zinc/91/97/71/1117919771.db2.gz FIQBAWOYOMZBFP-SESVDKBCSA-N 2 2 374.569 4.068 20 0 FIADLP CCCOc1ncccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463071264 1117956085 /nfs/dbraw/zinc/95/60/85/1117956085.db2.gz JUVVPIXESVXVME-RXVVDRJESA-N 2 2 353.510 4.013 20 0 FIADLP CCCOc1ncccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463071264 1117956088 /nfs/dbraw/zinc/95/60/88/1117956088.db2.gz JUVVPIXESVXVME-RXVVDRJESA-N 2 2 353.510 4.013 20 0 FIADLP CC(C)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000540302844 1117976520 /nfs/dbraw/zinc/97/65/20/1117976520.db2.gz RQQVNTHHLQAESZ-LJQANCHMSA-N 2 2 354.454 4.107 20 0 FIADLP Fc1cccc2c1OCCC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463287190 1118084057 /nfs/dbraw/zinc/08/40/57/1118084057.db2.gz XBDNMIODCFZRPG-JOCHJYFZSA-N 2 2 368.496 4.336 20 0 FIADLP COCC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000540555534 1118127213 /nfs/dbraw/zinc/12/72/13/1118127213.db2.gz LAUVFWPBKOJIJL-HNNXBMFYSA-N 2 2 355.404 4.002 20 0 FIADLP COCC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000540555534 1118127216 /nfs/dbraw/zinc/12/72/16/1118127216.db2.gz LAUVFWPBKOJIJL-HNNXBMFYSA-N 2 2 355.404 4.002 20 0 FIADLP CCC1(CC)[C@H]([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)C[C@@H]1OC ZINC000540594143 1118138406 /nfs/dbraw/zinc/13/84/06/1118138406.db2.gz YLFVMEWVDXSNQU-TYPHKJRUSA-N 2 2 374.569 4.070 20 0 FIADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541201833 1118421906 /nfs/dbraw/zinc/42/19/06/1118421906.db2.gz WWSLGLWAISCUJD-OAHLLOKOSA-N 2 2 371.510 4.248 20 0 FIADLP Cc1cc([C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)c2cccnc2)ccc1F ZINC000541548397 1118551748 /nfs/dbraw/zinc/55/17/48/1118551748.db2.gz CVRBDNFEAZENNO-GCJKJVERSA-N 2 2 355.501 4.473 20 0 FIADLP Cc1cc([C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)c2cccnc2)ccc1F ZINC000541548397 1118551752 /nfs/dbraw/zinc/55/17/52/1118551752.db2.gz CVRBDNFEAZENNO-GCJKJVERSA-N 2 2 355.501 4.473 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CCOc3ccccc3Cl)C2)CC1 ZINC000303028845 1118771247 /nfs/dbraw/zinc/77/12/47/1118771247.db2.gz PEJSDJXHCMSPMS-SFHVURJKSA-N 2 2 350.934 4.163 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCOc3ccccc3Cl)C2)CC1 ZINC000303028845 1118771251 /nfs/dbraw/zinc/77/12/51/1118771251.db2.gz PEJSDJXHCMSPMS-SFHVURJKSA-N 2 2 350.934 4.163 20 0 FIADLP CC(C)[NH+]1CCC([NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000542145770 1118807181 /nfs/dbraw/zinc/80/71/81/1118807181.db2.gz DXLQTOSQYTYWCG-OAQYLSRUSA-N 2 2 357.929 4.481 20 0 FIADLP Cc1ccccc1C1CC(Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000542163298 1118819037 /nfs/dbraw/zinc/81/90/37/1118819037.db2.gz ZRNQIBBIGBNZKG-UHFFFAOYSA-N 2 2 364.537 4.279 20 0 FIADLP CC[N@@H+](Cc1nc(C2CC2)cs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000542280905 1118879892 /nfs/dbraw/zinc/87/98/92/1118879892.db2.gz XIJGJCLXRLTCSC-UHFFFAOYSA-N 2 2 356.539 4.154 20 0 FIADLP CC[N@H+](Cc1nc(C2CC2)cs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000542280905 1118879897 /nfs/dbraw/zinc/87/98/97/1118879897.db2.gz XIJGJCLXRLTCSC-UHFFFAOYSA-N 2 2 356.539 4.154 20 0 FIADLP Clc1ccc2c(c1Cl)OC[C@@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542302255 1118901189 /nfs/dbraw/zinc/90/11/89/1118901189.db2.gz IADDJRVVMRTMPV-AWEZNQCLSA-N 2 2 366.273 4.464 20 0 FIADLP c1cn(Cc2ccccc2C[NH2+][C@@H](c2ccccc2)c2ccccn2)c[nH+]1 ZINC000491378024 1118943408 /nfs/dbraw/zinc/94/34/08/1118943408.db2.gz BAHKESXONOGXJC-QHCPKHFHSA-N 2 2 354.457 4.206 20 0 FIADLP C[C@H](C[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1)C[NH+](C)C ZINC000491545256 1118962351 /nfs/dbraw/zinc/96/23/51/1118962351.db2.gz KFKGGCDQAHLKSG-LLVKDONJSA-N 2 2 358.338 4.404 20 0 FIADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000669943390 1119008640 /nfs/dbraw/zinc/00/86/40/1119008640.db2.gz MLCYCHXFGQXSDO-QGZVFWFLSA-N 2 2 355.379 4.171 20 0 FIADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000669943390 1119008646 /nfs/dbraw/zinc/00/86/46/1119008646.db2.gz MLCYCHXFGQXSDO-QGZVFWFLSA-N 2 2 355.379 4.171 20 0 FIADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](COC)Cc1ccccc1 ZINC000542464254 1119186121 /nfs/dbraw/zinc/18/61/21/1119186121.db2.gz DVESIWVAKDHKCT-GOSISDBHSA-N 2 2 355.507 4.013 20 0 FIADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](COC)Cc1ccccc1 ZINC000542464254 1119186123 /nfs/dbraw/zinc/18/61/23/1119186123.db2.gz DVESIWVAKDHKCT-GOSISDBHSA-N 2 2 355.507 4.013 20 0 FIADLP COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311517773 1119377881 /nfs/dbraw/zinc/37/78/81/1119377881.db2.gz IQJVGQZRURYLHE-JENIJYKNSA-N 2 2 356.485 4.396 20 0 FIADLP COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311517773 1119377885 /nfs/dbraw/zinc/37/78/85/1119377885.db2.gz IQJVGQZRURYLHE-JENIJYKNSA-N 2 2 356.485 4.396 20 0 FIADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c2ccccc2)cc1 ZINC000493304177 1119437000 /nfs/dbraw/zinc/43/70/00/1119437000.db2.gz MWWUCOVPKLAKHZ-RBBKRZOGSA-N 2 2 361.489 4.457 20 0 FIADLP c1ccc(CC[NH+]2CCC([NH2+]Cc3nc4ccccc4n3C3CC3)CC2)cc1 ZINC000184408149 1119606862 /nfs/dbraw/zinc/60/68/62/1119606862.db2.gz JDRHSVAALPLETF-UHFFFAOYSA-N 2 2 374.532 4.168 20 0 FIADLP COc1ccccc1[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)OC(C)C ZINC000185724041 1119683710 /nfs/dbraw/zinc/68/37/10/1119683710.db2.gz JXXWDKTXKUARAI-JOCHJYFZSA-N 2 2 365.477 4.137 20 0 FIADLP C[C@@H]([NH2+]C1(C[NH2+][C@H](C)C2CCSCC2)CCOCC1)c1ccccc1 ZINC000187230527 1119774160 /nfs/dbraw/zinc/77/41/60/1119774160.db2.gz YIIHHQWIECYJRV-QZTJIDSGSA-N 2 2 362.583 4.008 20 0 FIADLP Fc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2cnc3ccccc3c2)cc1 ZINC000542480055 1119822397 /nfs/dbraw/zinc/82/23/97/1119822397.db2.gz WBSGAZOGVXCLDW-QFIPXVFZSA-N 2 2 360.436 4.340 20 0 FIADLP CCCn1nc(C)c(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1C ZINC000494442436 1119862251 /nfs/dbraw/zinc/86/22/51/1119862251.db2.gz DOXZCVADPALBQH-QFIPXVFZSA-N 2 2 354.542 4.054 20 0 FIADLP CCCn1nc(C)c(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1C ZINC000494442436 1119862257 /nfs/dbraw/zinc/86/22/57/1119862257.db2.gz DOXZCVADPALBQH-QFIPXVFZSA-N 2 2 354.542 4.054 20 0 FIADLP Clc1sc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1Br ZINC000190794926 1119949380 /nfs/dbraw/zinc/94/93/80/1119949380.db2.gz MMTCEYBOLZBSIZ-UHFFFAOYSA-N 2 2 363.752 4.128 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192135454 1120026828 /nfs/dbraw/zinc/02/68/28/1120026828.db2.gz CDKHPZUQNYKQHC-LEWJYISDSA-N 2 2 369.415 4.079 20 0 FIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccc2c(c1)OCCO2 ZINC000192152952 1120030211 /nfs/dbraw/zinc/03/02/11/1120030211.db2.gz AUJYMYMMXBQCOG-FQEVSTJZSA-N 2 2 363.461 4.193 20 0 FIADLP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192190377 1120037921 /nfs/dbraw/zinc/03/79/21/1120037921.db2.gz XBKQFPYBBSHEJU-MRXNPFEDSA-N 2 2 351.498 4.291 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CC2 ZINC000193978139 1120224090 /nfs/dbraw/zinc/22/40/90/1120224090.db2.gz CBWWWXLJSWNHOL-GOSISDBHSA-N 2 2 368.278 4.412 20 0 FIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+](C)[C@H](C)C(C)C)c1=S ZINC000915209803 1120873370 /nfs/dbraw/zinc/87/33/70/1120873370.db2.gz UYUVVUZVARJPCN-CVEARBPZSA-N 2 2 355.596 4.161 20 0 FIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+](C)[C@H](C)C(C)C)c1=S ZINC000915209803 1120873376 /nfs/dbraw/zinc/87/33/76/1120873376.db2.gz UYUVVUZVARJPCN-CVEARBPZSA-N 2 2 355.596 4.161 20 0 FIADLP Brc1ccc(-c2ccc(C[NH2+]CCn3cc[nH+]c3)s2)cc1 ZINC000236752297 1120969538 /nfs/dbraw/zinc/96/95/38/1120969538.db2.gz XUKQUWAEXORQGY-UHFFFAOYSA-N 2 2 362.296 4.164 20 0 FIADLP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001168499638 1121073100 /nfs/dbraw/zinc/07/31/00/1121073100.db2.gz ZXGAVTTZGVASJP-GOSISDBHSA-N 2 2 352.497 4.279 20 0 FIADLP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001168499638 1121073108 /nfs/dbraw/zinc/07/31/08/1121073108.db2.gz ZXGAVTTZGVASJP-GOSISDBHSA-N 2 2 352.497 4.279 20 0 FIADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000915879987 1121306727 /nfs/dbraw/zinc/30/67/27/1121306727.db2.gz AHPJLZRSJODVNK-CVDCTZTESA-N 2 2 352.522 4.443 20 0 FIADLP CCn1nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c2ccccc21 ZINC000397975913 1121329142 /nfs/dbraw/zinc/32/91/42/1121329142.db2.gz KRCYHZZZQAQQDU-GHTZIAJQSA-N 2 2 362.521 4.056 20 0 FIADLP CCn1nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c2ccccc21 ZINC000397975913 1121329150 /nfs/dbraw/zinc/32/91/50/1121329150.db2.gz KRCYHZZZQAQQDU-GHTZIAJQSA-N 2 2 362.521 4.056 20 0 FIADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000038097950 1121601389 /nfs/dbraw/zinc/60/13/89/1121601389.db2.gz YOSZDKVAQBDZNG-GFCCVEGCSA-N 2 2 351.288 4.330 20 0 FIADLP CCOc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1OCC ZINC000069058840 1121859397 /nfs/dbraw/zinc/85/93/97/1121859397.db2.gz DYROMYNEKIOOFK-UHFFFAOYSA-N 2 2 365.477 4.019 20 0 FIADLP Brc1ccc(-c2ccc(C[NH2+]CCCCn3cc[nH+]c3)o2)cc1 ZINC000616026464 1122001939 /nfs/dbraw/zinc/00/19/39/1122001939.db2.gz LWXVMYJJHAJMNG-UHFFFAOYSA-N 2 2 374.282 4.476 20 0 FIADLP Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000127575392 1122119783 /nfs/dbraw/zinc/11/97/83/1122119783.db2.gz GJMHORADRWADDD-SFHVURJKSA-N 2 2 357.461 4.217 20 0 FIADLP COc1ccc([C@@H]2C[C@H](n3c[nH+]cc3-c3ccc(C[NH3+])cc3)CCO2)cc1 ZINC001168623789 1122181388 /nfs/dbraw/zinc/18/13/88/1122181388.db2.gz KIKJCJNTSWHEOW-KNQAVFIVSA-N 2 2 363.461 4.110 20 0 FIADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CCCS2 ZINC000497384325 1122193678 /nfs/dbraw/zinc/19/36/78/1122193678.db2.gz GSJKSXDLXQSUQR-IBGZPJMESA-N 2 2 369.534 4.276 20 0 FIADLP c1ccc(-c2ccccc2C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000917395440 1122287311 /nfs/dbraw/zinc/28/73/11/1122287311.db2.gz PKUPAUKQNNASQZ-UHFFFAOYSA-N 2 2 372.512 4.476 20 0 FIADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000128471816 1122307579 /nfs/dbraw/zinc/30/75/79/1122307579.db2.gz FZKFEKVEQYXEAU-UHFFFAOYSA-N 2 2 360.461 4.029 20 0 FIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](CCOC)c1ccccc1 ZINC000497848131 1122436761 /nfs/dbraw/zinc/43/67/61/1122436761.db2.gz MEBBIESLYSCRBZ-JOCHJYFZSA-N 2 2 367.537 4.398 20 0 FIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](CCOC)c1ccccc1 ZINC000497848131 1122436763 /nfs/dbraw/zinc/43/67/63/1122436763.db2.gz MEBBIESLYSCRBZ-JOCHJYFZSA-N 2 2 367.537 4.398 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130808453 1122927671 /nfs/dbraw/zinc/92/76/71/1122927671.db2.gz SYHWZBSASMUKBD-HPFXQQBRSA-N 2 2 355.448 4.003 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130808453 1122927674 /nfs/dbraw/zinc/92/76/74/1122927674.db2.gz SYHWZBSASMUKBD-HPFXQQBRSA-N 2 2 355.448 4.003 20 0 FIADLP CC(C)COc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000130833604 1122935874 /nfs/dbraw/zinc/93/58/74/1122935874.db2.gz XPBSERAWCPHMCX-KNQAVFIVSA-N 2 2 367.537 4.117 20 0 FIADLP CC(C)COc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000130833604 1122935877 /nfs/dbraw/zinc/93/58/77/1122935877.db2.gz XPBSERAWCPHMCX-KNQAVFIVSA-N 2 2 367.537 4.117 20 0 FIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Br)c(F)c1 ZINC000131115378 1122984624 /nfs/dbraw/zinc/98/46/24/1122984624.db2.gz IZGHUYURXBNPFT-LBPRGKRZSA-N 2 2 366.278 4.014 20 0 FIADLP CC(C)c1oc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)nc1-c1ccccc1 ZINC000499053297 1123174222 /nfs/dbraw/zinc/17/42/22/1123174222.db2.gz MKUYOYALSZUKBA-GOSISDBHSA-N 2 2 350.466 4.499 20 0 FIADLP CC(C)c1oc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)nc1-c1ccccc1 ZINC000499053297 1123174225 /nfs/dbraw/zinc/17/42/25/1123174225.db2.gz MKUYOYALSZUKBA-GOSISDBHSA-N 2 2 350.466 4.499 20 0 FIADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000515077765 1123207959 /nfs/dbraw/zinc/20/79/59/1123207959.db2.gz QLMNNEMBFHSZBC-LRQRDZAKSA-N 2 2 354.542 4.433 20 0 FIADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000515077765 1123207962 /nfs/dbraw/zinc/20/79/62/1123207962.db2.gz QLMNNEMBFHSZBC-LRQRDZAKSA-N 2 2 354.542 4.433 20 0 FIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000132179921 1123228046 /nfs/dbraw/zinc/22/80/46/1123228046.db2.gz YFBKHWURXIMUOZ-AWEZNQCLSA-N 2 2 359.395 4.242 20 0 FIADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132270154 1123237238 /nfs/dbraw/zinc/23/72/38/1123237238.db2.gz VOJVXLWWUHDXAF-QFIPXVFZSA-N 2 2 361.489 4.150 20 0 FIADLP Cc1cccc(C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C2CC2)c1 ZINC000132280472 1123238573 /nfs/dbraw/zinc/23/85/73/1123238573.db2.gz HZDHZXJRKXNYTN-HSZRJFAPSA-N 2 2 359.517 4.393 20 0 FIADLP Cc1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)o2)cc1 ZINC000136585599 1123911426 /nfs/dbraw/zinc/91/14/26/1123911426.db2.gz ZJFRKMWMVIMCKO-YADHBBJMSA-N 2 2 368.521 4.113 20 0 FIADLP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000237570928 1123981153 /nfs/dbraw/zinc/98/11/53/1123981153.db2.gz TXFLJAVTVMMDCH-OAHLLOKOSA-N 2 2 371.916 4.073 20 0 FIADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000245561900 1124121054 /nfs/dbraw/zinc/12/10/54/1124121054.db2.gz CJTVLLUZEIJSLW-QFBILLFUSA-N 2 2 365.481 4.140 20 0 FIADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000245561900 1124121063 /nfs/dbraw/zinc/12/10/63/1124121063.db2.gz CJTVLLUZEIJSLW-QFBILLFUSA-N 2 2 365.481 4.140 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245609726 1124139867 /nfs/dbraw/zinc/13/98/67/1124139867.db2.gz NWZZFRKILRLBRS-NTLWEQJWSA-N 2 2 368.525 4.307 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245609726 1124139871 /nfs/dbraw/zinc/13/98/71/1124139871.db2.gz NWZZFRKILRLBRS-NTLWEQJWSA-N 2 2 368.525 4.307 20 0 FIADLP FC(F)SCc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)o1 ZINC000237929919 1124186751 /nfs/dbraw/zinc/18/67/51/1124186751.db2.gz SQZPICFTENKQJD-UHFFFAOYSA-N 2 2 366.477 4.273 20 0 FIADLP FC(F)SCc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)o1 ZINC000237929919 1124186760 /nfs/dbraw/zinc/18/67/60/1124186760.db2.gz SQZPICFTENKQJD-UHFFFAOYSA-N 2 2 366.477 4.273 20 0 FIADLP c1ccc(C([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2)cc1 ZINC000542773195 1124257855 /nfs/dbraw/zinc/25/78/55/1124257855.db2.gz VPZCWAZTPLIQOH-UHFFFAOYSA-N 2 2 372.512 4.398 20 0 FIADLP CC(C)CO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1(C)C ZINC000245895482 1124275141 /nfs/dbraw/zinc/27/51/41/1124275141.db2.gz NAFDTUIHUKAYSK-JRGCBEDISA-N 2 2 359.558 4.036 20 0 FIADLP CO[C@@H](C)c1nc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cs1 ZINC000246084803 1124342651 /nfs/dbraw/zinc/34/26/51/1124342651.db2.gz UHMUOOZBNMAPDH-SJORKVTESA-N 2 2 365.587 4.327 20 0 FIADLP CO[C@@H](C)c1nc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cs1 ZINC000246084803 1124342661 /nfs/dbraw/zinc/34/26/61/1124342661.db2.gz UHMUOOZBNMAPDH-SJORKVTESA-N 2 2 365.587 4.327 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000246423439 1124500682 /nfs/dbraw/zinc/50/06/82/1124500682.db2.gz NKNBVWFZFORMCN-XMSQKQJNSA-N 2 2 365.521 4.013 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000246423439 1124500690 /nfs/dbraw/zinc/50/06/90/1124500690.db2.gz NKNBVWFZFORMCN-XMSQKQJNSA-N 2 2 365.521 4.013 20 0 FIADLP Cc1ccc(OCCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246862887 1124569034 /nfs/dbraw/zinc/56/90/34/1124569034.db2.gz DAOIIMBDXOYSAZ-OFNKIYASSA-N 2 2 367.537 4.049 20 0 FIADLP Cc1ccc(OCCCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246862887 1124569039 /nfs/dbraw/zinc/56/90/39/1124569039.db2.gz DAOIIMBDXOYSAZ-OFNKIYASSA-N 2 2 367.537 4.049 20 0 FIADLP CCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246962777 1124577144 /nfs/dbraw/zinc/57/71/44/1124577144.db2.gz IRJBCWFVMJQBFL-AUSIDOKSSA-N 2 2 367.537 4.261 20 0 FIADLP CCCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246962777 1124577150 /nfs/dbraw/zinc/57/71/50/1124577150.db2.gz IRJBCWFVMJQBFL-AUSIDOKSSA-N 2 2 367.537 4.261 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000247213573 1124598908 /nfs/dbraw/zinc/59/89/08/1124598908.db2.gz XCYUAMDNTREWNL-XPGWFJOJSA-N 2 2 371.525 4.258 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000247213573 1124598911 /nfs/dbraw/zinc/59/89/11/1124598911.db2.gz XCYUAMDNTREWNL-XPGWFJOJSA-N 2 2 371.525 4.258 20 0 FIADLP c1ccc(COc2ccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cc2)cc1 ZINC000261559490 1124751421 /nfs/dbraw/zinc/75/14/21/1124751421.db2.gz SQXFCQCZXPPUKH-UHFFFAOYSA-N 2 2 350.506 4.230 20 0 FIADLP COc1cc(OC)c([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1Cl ZINC000089512870 1124912735 /nfs/dbraw/zinc/91/27/35/1124912735.db2.gz XLQDBDDUUPNBEH-ZDUSSCGKSA-N 2 2 354.922 4.271 20 0 FIADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Oc1cccc(Cl)c1 ZINC000090115868 1124984281 /nfs/dbraw/zinc/98/42/81/1124984281.db2.gz RBTGLUJZJINXKD-LZJOCLMNSA-N 2 2 373.928 4.003 20 0 FIADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Oc1cccc(Cl)c1 ZINC000090115868 1124984284 /nfs/dbraw/zinc/98/42/84/1124984284.db2.gz RBTGLUJZJINXKD-LZJOCLMNSA-N 2 2 373.928 4.003 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000090524202 1125001251 /nfs/dbraw/zinc/00/12/51/1125001251.db2.gz NCHJSZQOMOMGIC-BKTGTZMESA-N 2 2 371.352 4.412 20 0 FIADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000022936178 211372300 /nfs/dbraw/zinc/37/23/00/211372300.db2.gz MKECYHCNSRWRBA-IBGZPJMESA-N 2 2 358.913 4.493 20 0 FIADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000022936178 211372304 /nfs/dbraw/zinc/37/23/04/211372304.db2.gz MKECYHCNSRWRBA-IBGZPJMESA-N 2 2 358.913 4.493 20 0 FIADLP COC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)c(F)c1 ZINC000091413934 567953991 /nfs/dbraw/zinc/95/39/91/567953991.db2.gz PYNZIPJMJJEMHZ-HXUWFJFHSA-N 2 2 352.469 4.039 20 0 FIADLP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602564759 567995536 /nfs/dbraw/zinc/99/55/36/567995536.db2.gz OJAQVGHIWCHJAY-DGZHZOPBSA-N 2 2 374.594 4.024 20 0 FIADLP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602564759 567995537 /nfs/dbraw/zinc/99/55/37/567995537.db2.gz OJAQVGHIWCHJAY-DGZHZOPBSA-N 2 2 374.594 4.024 20 0 FIADLP Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000604307415 568247700 /nfs/dbraw/zinc/24/77/00/568247700.db2.gz FYSIHPXZZLRPTK-SFHVURJKSA-N 2 2 367.493 4.177 20 0 FIADLP Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000604307415 568247701 /nfs/dbraw/zinc/24/77/01/568247701.db2.gz FYSIHPXZZLRPTK-SFHVURJKSA-N 2 2 367.493 4.177 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(Br)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390818604 568279436 /nfs/dbraw/zinc/27/94/36/568279436.db2.gz RECRYMICCQNRBF-GDBMZVCRSA-N 2 2 363.299 4.042 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(Br)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390818604 568279437 /nfs/dbraw/zinc/27/94/37/568279437.db2.gz RECRYMICCQNRBF-GDBMZVCRSA-N 2 2 363.299 4.042 20 0 FIADLP Cc1ccc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1Oc1cc[nH+]cc1 ZINC000604727419 568357011 /nfs/dbraw/zinc/35/70/11/568357011.db2.gz AYXGUKZCUFQZRF-HXUWFJFHSA-N 2 2 369.509 4.279 20 0 FIADLP Brc1ccc(/C=C/CC[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000604998192 568508580 /nfs/dbraw/zinc/50/85/80/568508580.db2.gz JEQCETUHXKFQMR-IDWWNRSSSA-N 2 2 363.343 4.413 20 0 FIADLP Brc1ccc(/C=C/CC[N@H+]2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000604998192 568508582 /nfs/dbraw/zinc/50/85/82/568508582.db2.gz JEQCETUHXKFQMR-IDWWNRSSSA-N 2 2 363.343 4.413 20 0 FIADLP C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261716889 1125649925 /nfs/dbraw/zinc/64/99/25/1125649925.db2.gz QHONTRBMDMAWGA-AXFHLTTASA-N 2 2 354.338 4.454 20 0 FIADLP C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261716889 1125649930 /nfs/dbraw/zinc/64/99/30/1125649930.db2.gz QHONTRBMDMAWGA-AXFHLTTASA-N 2 2 354.338 4.454 20 0 FIADLP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000153242540 1125764012 /nfs/dbraw/zinc/76/40/12/1125764012.db2.gz AHNRUVUNPHEARB-GOSISDBHSA-N 2 2 368.569 4.304 20 0 FIADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000579764104 1079627394 /nfs/dbraw/zinc/62/73/94/1079627394.db2.gz ARRWDCOCSBYOSX-UHFFFAOYSA-N 2 2 361.489 4.037 20 0 FIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000579764104 1079627397 /nfs/dbraw/zinc/62/73/97/1079627397.db2.gz ARRWDCOCSBYOSX-UHFFFAOYSA-N 2 2 361.489 4.037 20 0 FIADLP C[C@@H](C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)Cn1cc[nH+]c1 ZINC000179865511 1080336650 /nfs/dbraw/zinc/33/66/50/1080336650.db2.gz KTHUJXUPWIVNPB-KRWDZBQOSA-N 2 2 353.441 4.027 20 0 FIADLP OC1CC[NH+](CCC[NH2+]Cc2c(Cl)cccc2Oc2ccccc2)CC1 ZINC000180116230 1080450911 /nfs/dbraw/zinc/45/09/11/1080450911.db2.gz OJXIQXSDAHVWFW-UHFFFAOYSA-N 2 2 374.912 4.069 20 0 FIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c1Cl ZINC001648792055 1080502493 /nfs/dbraw/zinc/50/24/93/1080502493.db2.gz GTXQBIXSEQYIII-OAHLLOKOSA-N 2 2 360.933 4.046 20 0 FIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1Cl ZINC001648792055 1080502498 /nfs/dbraw/zinc/50/24/98/1080502498.db2.gz GTXQBIXSEQYIII-OAHLLOKOSA-N 2 2 360.933 4.046 20 0 FIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1Cl ZINC001648792054 1080502935 /nfs/dbraw/zinc/50/29/35/1080502935.db2.gz GTXQBIXSEQYIII-HNNXBMFYSA-N 2 2 360.933 4.046 20 0 FIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1Cl ZINC001648792054 1080502942 /nfs/dbraw/zinc/50/29/42/1080502942.db2.gz GTXQBIXSEQYIII-HNNXBMFYSA-N 2 2 360.933 4.046 20 0 FIADLP CCn1cnc(Cl)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC001648792989 1080648051 /nfs/dbraw/zinc/64/80/51/1080648051.db2.gz ZBTWXIBJAGRFHL-MRXNPFEDSA-N 2 2 360.933 4.078 20 0 FIADLP CCn1cnc(Cl)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC001648792989 1080648055 /nfs/dbraw/zinc/64/80/55/1080648055.db2.gz ZBTWXIBJAGRFHL-MRXNPFEDSA-N 2 2 360.933 4.078 20 0 FIADLP Clc1ccc2c(CC[NH2+]C3CCN(c4cccc[nH+]4)CC3)c[nH]c2c1 ZINC000120706095 1080757775 /nfs/dbraw/zinc/75/77/75/1080757775.db2.gz SRZPEJMOYVPMKH-UHFFFAOYSA-N 2 2 354.885 4.017 20 0 FIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccc(OC)c(OC)c1 ZINC000510261513 1080940893 /nfs/dbraw/zinc/94/08/93/1080940893.db2.gz ZYNUNWPLMGMURA-HXUWFJFHSA-N 2 2 365.477 4.439 20 0 FIADLP C[C@H]([NH2+]Cc1ncoc1-c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547825907 1080942580 /nfs/dbraw/zinc/94/25/80/1080942580.db2.gz WGRDPHLVKBWDBC-RXVVDRJESA-N 2 2 361.489 4.342 20 0 FIADLP C[C@H]([NH2+]Cc1ncoc1-c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547825907 1080942583 /nfs/dbraw/zinc/94/25/83/1080942583.db2.gz WGRDPHLVKBWDBC-RXVVDRJESA-N 2 2 361.489 4.342 20 0 FIADLP C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655702224 1081127382 /nfs/dbraw/zinc/12/73/82/1081127382.db2.gz ZXJGSTJOBUPEAK-DVECYGJZSA-N 2 2 364.533 4.128 20 0 FIADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655708592 1081133185 /nfs/dbraw/zinc/13/31/85/1081133185.db2.gz QSXQFYLTRMSZJJ-RTBURBONSA-N 2 2 370.459 4.390 20 0 FIADLP Clc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCCC2)cc1 ZINC000655717076 1081137219 /nfs/dbraw/zinc/13/72/19/1081137219.db2.gz UJOGRFZIONFWGY-LEWJYISDSA-N 2 2 362.945 4.414 20 0 FIADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(O[C@H](C)CC(C)C)c1 ZINC000655723490 1081141527 /nfs/dbraw/zinc/14/15/27/1081141527.db2.gz OYPXZBVOZDHZGJ-DENIHFKCSA-N 2 2 374.569 4.151 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000655736157 1081153685 /nfs/dbraw/zinc/15/36/85/1081153685.db2.gz MYPVDQJHQJKUDU-UZUQRXQVSA-N 2 2 368.496 4.397 20 0 FIADLP Clc1ccc(C2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1Cl ZINC000655741011 1081158332 /nfs/dbraw/zinc/15/83/32/1081158332.db2.gz BPMUXVKYUPSPEO-MRXNPFEDSA-N 2 2 369.336 4.216 20 0 FIADLP CC([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)(c1ccccc1)c1ccccc1 ZINC000655747954 1081162231 /nfs/dbraw/zinc/16/22/31/1081162231.db2.gz MPZRJKRHVOGIJY-QHCPKHFHSA-N 2 2 364.533 4.183 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)c2ccccc21 ZINC000655755244 1081175938 /nfs/dbraw/zinc/17/59/38/1081175938.db2.gz UVURSVMXCDDKMK-DOTOQJQBSA-N 2 2 358.913 4.397 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848608 1081256964 /nfs/dbraw/zinc/25/69/64/1081256964.db2.gz JEFWVMMYWFOEMV-JRGCBEDISA-N 2 2 357.542 4.134 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848608 1081256968 /nfs/dbraw/zinc/25/69/68/1081256968.db2.gz JEFWVMMYWFOEMV-JRGCBEDISA-N 2 2 357.542 4.134 20 0 FIADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)(C)C)C1 ZINC001648828475 1081265890 /nfs/dbraw/zinc/26/58/90/1081265890.db2.gz CUUXXQINKSNYFI-INIZCTEOSA-N 2 2 374.960 4.255 20 0 FIADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)(C)C)C1 ZINC001648828475 1081265896 /nfs/dbraw/zinc/26/58/96/1081265896.db2.gz CUUXXQINKSNYFI-INIZCTEOSA-N 2 2 374.960 4.255 20 0 FIADLP C[C@H]1CCCC[C@H]1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001648830264 1081267706 /nfs/dbraw/zinc/26/77/06/1081267706.db2.gz NGAQJSWSWHNSGT-GMAHTHKFSA-N 2 2 357.586 4.000 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc(Oc3ccccn3)c2)cn1 ZINC001648851561 1081299355 /nfs/dbraw/zinc/29/93/55/1081299355.db2.gz VAFLKZWQQMIXAV-UHFFFAOYSA-N 2 2 371.444 4.053 20 0 FIADLP Cc1ccc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CCCC2)o1 ZINC000580245334 1081772373 /nfs/dbraw/zinc/77/23/73/1081772373.db2.gz JFBHLTHCHXLZIO-QHCPKHFHSA-N 2 2 368.521 4.441 20 0 FIADLP Brc1ccc(/C=C\CC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000255437751 1081866692 /nfs/dbraw/zinc/86/66/92/1081866692.db2.gz XTAFHCPAXFNOSN-IWQZZHSRSA-N 2 2 360.299 4.386 20 0 FIADLP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001167397221 1081938444 /nfs/dbraw/zinc/93/84/44/1081938444.db2.gz FCXHDQSVVDVCPU-FYYLOGMGSA-N 2 2 363.549 4.077 20 0 FIADLP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001167397221 1081938446 /nfs/dbraw/zinc/93/84/46/1081938446.db2.gz FCXHDQSVVDVCPU-FYYLOGMGSA-N 2 2 363.549 4.077 20 0 FIADLP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000510448716 1082797591 /nfs/dbraw/zinc/79/75/91/1082797591.db2.gz XPYAGMZFZVULTB-NRFANRHFSA-N 2 2 357.461 4.096 20 0 FIADLP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000510448716 1082797597 /nfs/dbraw/zinc/79/75/97/1082797597.db2.gz XPYAGMZFZVULTB-NRFANRHFSA-N 2 2 357.461 4.096 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccc4cnccc4c3)C2)CC1 ZINC000684410769 1082857453 /nfs/dbraw/zinc/85/74/53/1082857453.db2.gz JJGAAAZZTUJQOX-UHFFFAOYSA-N 2 2 363.427 4.130 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccccc3C3CC3)C2)CC1 ZINC000684411895 1082860243 /nfs/dbraw/zinc/86/02/43/1082860243.db2.gz AHJYEYBPSNFNDE-UHFFFAOYSA-N 2 2 352.444 4.459 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000658250156 1083373691 /nfs/dbraw/zinc/37/36/91/1083373691.db2.gz AXXDEZZYPUNSHB-GFOJFJKKSA-N 2 2 371.569 4.008 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000658250156 1083373702 /nfs/dbraw/zinc/37/37/02/1083373702.db2.gz AXXDEZZYPUNSHB-GFOJFJKKSA-N 2 2 371.569 4.008 20 0 FIADLP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000582002344 1083480615 /nfs/dbraw/zinc/48/06/15/1083480615.db2.gz CHAVYVKLHMRAET-NRFANRHFSA-N 2 2 365.521 4.156 20 0 FIADLP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000582002344 1083480621 /nfs/dbraw/zinc/48/06/21/1083480621.db2.gz CHAVYVKLHMRAET-NRFANRHFSA-N 2 2 365.521 4.156 20 0 FIADLP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2csc(C(F)(F)F)n2)cc1 ZINC000892463108 1083521986 /nfs/dbraw/zinc/52/19/86/1083521986.db2.gz VETFZIKEGGYJIS-UHFFFAOYSA-N 2 2 357.445 4.294 20 0 FIADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000236600988 1083957585 /nfs/dbraw/zinc/95/75/85/1083957585.db2.gz IZAWQHNFIBQIPS-UHFFFAOYSA-N 2 2 373.928 4.276 20 0 FIADLP COc1ccccc1[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)OC(C)C ZINC000472044029 1084162029 /nfs/dbraw/zinc/16/20/29/1084162029.db2.gz LJCIHRHATKUJNN-FQEVSTJZSA-N 2 2 371.506 4.198 20 0 FIADLP CCn1nc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c2ccccc21 ZINC000472061769 1084212639 /nfs/dbraw/zinc/21/26/39/1084212639.db2.gz GOBZULJEVSUHJS-GOSISDBHSA-N 2 2 362.521 4.371 20 0 FIADLP C[C@@H]1CCC[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)[C@H]1C[NH3+] ZINC000647496760 1084226391 /nfs/dbraw/zinc/22/63/91/1084226391.db2.gz OMPNAEXGKINTKF-QRWLVFNGSA-N 2 2 371.912 4.152 20 0 FIADLP C[C@@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)[C@H]1C[NH3+] ZINC000647496760 1084226403 /nfs/dbraw/zinc/22/64/03/1084226403.db2.gz OMPNAEXGKINTKF-QRWLVFNGSA-N 2 2 371.912 4.152 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000657289027 1084241619 /nfs/dbraw/zinc/24/16/19/1084241619.db2.gz GCLFPFVLARKHQR-HNNXBMFYSA-N 2 2 351.425 4.403 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc2n(n1)CCC2 ZINC000414065911 1084420427 /nfs/dbraw/zinc/42/04/27/1084420427.db2.gz HNLKTYYVVTZAMQ-GUDVDZBRSA-N 2 2 366.553 4.158 20 0 FIADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1(C)C ZINC000414070183 1084425238 /nfs/dbraw/zinc/42/52/38/1084425238.db2.gz SEWQDNGZDCSHOZ-RTBURBONSA-N 2 2 355.526 4.046 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414114010 1084600343 /nfs/dbraw/zinc/60/03/43/1084600343.db2.gz LITYFVBCALQJAX-IEBWSBKVSA-N 2 2 364.961 4.455 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1cc2n(n1)CCC2 ZINC000414115506 1084605700 /nfs/dbraw/zinc/60/57/00/1084605700.db2.gz NBUWAHSBICOAAW-GOSISDBHSA-N 2 2 352.526 4.056 20 0 FIADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nc2c(s1)CCC2 ZINC000414154864 1084711111 /nfs/dbraw/zinc/71/11/11/1084711111.db2.gz LUXGGIQCQSVKGK-KANFNMMFSA-N 2 2 367.562 4.478 20 0 FIADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nc2c(s1)CCC2 ZINC000414154864 1084711119 /nfs/dbraw/zinc/71/11/19/1084711119.db2.gz LUXGGIQCQSVKGK-KANFNMMFSA-N 2 2 367.562 4.478 20 0 FIADLP CC(C)c1nnc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000892569946 1084870652 /nfs/dbraw/zinc/87/06/52/1084870652.db2.gz DPHXRJDNESFYLS-INIZCTEOSA-N 2 2 358.555 4.326 20 0 FIADLP CC(C)c1nnc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000892569946 1084870654 /nfs/dbraw/zinc/87/06/54/1084870654.db2.gz DPHXRJDNESFYLS-INIZCTEOSA-N 2 2 358.555 4.326 20 0 FIADLP Clc1ccccc1N1CC[C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000657537939 1085460537 /nfs/dbraw/zinc/46/05/37/1085460537.db2.gz ILHRLFCCMBSKGR-HNNXBMFYSA-N 2 2 372.925 4.203 20 0 FIADLP CCC[NH+]1CCC([N@H+](C)Cc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000628149198 1085653987 /nfs/dbraw/zinc/65/39/87/1085653987.db2.gz POYNCNIDIUWMFX-UHFFFAOYSA-N 2 2 362.411 4.073 20 0 FIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000628149198 1085653993 /nfs/dbraw/zinc/65/39/93/1085653993.db2.gz POYNCNIDIUWMFX-UHFFFAOYSA-N 2 2 362.411 4.073 20 0 FIADLP CC[NH+](CC)Cc1cc([C@H](C)Nc2cc(COC)cc[nH+]2)ccc1OC ZINC000652330872 1085874100 /nfs/dbraw/zinc/87/41/00/1085874100.db2.gz RDBVRYPPZFNSBM-INIZCTEOSA-N 2 2 357.498 4.252 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(-c3ccc(C)cc3)o2)cn1 ZINC000121178414 1085927260 /nfs/dbraw/zinc/92/72/60/1085927260.db2.gz NSGDYKOGPBCGKI-UHFFFAOYSA-N 2 2 358.445 4.434 20 0 FIADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC[N@H+](Cc3ccccc3)C2)C12CCC2 ZINC000709636897 1086002758 /nfs/dbraw/zinc/00/27/58/1086002758.db2.gz QJDRAEPZZWSYSL-BHDDXSALSA-N 2 2 356.554 4.369 20 0 FIADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000709636897 1086002762 /nfs/dbraw/zinc/00/27/62/1086002762.db2.gz QJDRAEPZZWSYSL-BHDDXSALSA-N 2 2 356.554 4.369 20 0 FIADLP Fc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2Cl)cc1 ZINC000582994562 1086005267 /nfs/dbraw/zinc/00/52/67/1086005267.db2.gz HKRFBRPMABPFKR-QRWLVFNGSA-N 2 2 355.844 4.439 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000246564968 1086131834 /nfs/dbraw/zinc/13/18/34/1086131834.db2.gz XMCOWKCOVXLKJQ-DYESRHJHSA-N 2 2 357.929 4.168 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000246564968 1086131840 /nfs/dbraw/zinc/13/18/40/1086131840.db2.gz XMCOWKCOVXLKJQ-DYESRHJHSA-N 2 2 357.929 4.168 20 0 FIADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC000662156689 1086214987 /nfs/dbraw/zinc/21/49/87/1086214987.db2.gz SCDGNCPCIQJVMU-SFHVURJKSA-N 2 2 351.416 4.079 20 0 FIADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC000662156689 1086214997 /nfs/dbraw/zinc/21/49/97/1086214997.db2.gz SCDGNCPCIQJVMU-SFHVURJKSA-N 2 2 351.416 4.079 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000165551045 1086537178 /nfs/dbraw/zinc/53/71/78/1086537178.db2.gz LYBXJEPTPYGUER-XXBNENTESA-N 3 2 374.532 4.171 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000165551045 1086537181 /nfs/dbraw/zinc/53/71/81/1086537181.db2.gz LYBXJEPTPYGUER-XXBNENTESA-N 3 2 374.532 4.171 20 0 FIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(OC(F)F)cc1 ZINC000126465026 1086625171 /nfs/dbraw/zinc/62/51/71/1086625171.db2.gz ODAZEZKDUZCKJR-GOSISDBHSA-N 2 2 372.419 4.418 20 0 FIADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccccc3)cc2F)CCCO1 ZINC000432352052 1086649928 /nfs/dbraw/zinc/64/99/28/1086649928.db2.gz UXRLWOWUAIWFLP-GOSISDBHSA-N 2 2 356.485 4.083 20 0 FIADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccccc3)cc2F)CCCO1 ZINC000432352052 1086649934 /nfs/dbraw/zinc/64/99/34/1086649934.db2.gz UXRLWOWUAIWFLP-GOSISDBHSA-N 2 2 356.485 4.083 20 0 FIADLP Nc1cccc2c1cc[nH+]c2NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000663587931 1086683976 /nfs/dbraw/zinc/68/39/76/1086683976.db2.gz CKQFPZHBHMMRHK-YQQQUEKLSA-N 2 2 358.489 4.425 20 0 FIADLP Nc1cccc2c1cc[nH+]c2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000663587931 1086683978 /nfs/dbraw/zinc/68/39/78/1086683978.db2.gz CKQFPZHBHMMRHK-YQQQUEKLSA-N 2 2 358.489 4.425 20 0 FIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000432408922 1086732184 /nfs/dbraw/zinc/73/21/84/1086732184.db2.gz DHNXBGXAAJWWAF-CHWSQXEVSA-N 2 2 363.304 4.284 20 0 FIADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000432408922 1086732188 /nfs/dbraw/zinc/73/21/88/1086732188.db2.gz DHNXBGXAAJWWAF-CHWSQXEVSA-N 2 2 363.304 4.284 20 0 FIADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512087984 1086753197 /nfs/dbraw/zinc/75/31/97/1086753197.db2.gz MQEWTFLJUNPUFE-CYBMUJFWSA-N 2 2 372.563 4.487 20 0 FIADLP c1cnn(-c2cccc(C[NH2+][C@@H]3c4ccccc4CC[C@H]3n3cc[nH+]c3)c2)c1 ZINC000583532909 1086777277 /nfs/dbraw/zinc/77/72/77/1086777277.db2.gz WYQYOMGQFMGGFW-DHIUTWEWSA-N 2 2 369.472 4.087 20 0 FIADLP Cc1oc2ccccc2c1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000536095661 1086899791 /nfs/dbraw/zinc/89/97/91/1086899791.db2.gz NGEZURWZCGGMRR-UHFFFAOYSA-N 2 2 364.493 4.279 20 0 FIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)[nH]1 ZINC000080974646 1087290902 /nfs/dbraw/zinc/29/09/02/1087290902.db2.gz MSZDLTBYJNUCKN-GOSISDBHSA-N 2 2 357.461 4.104 20 0 FIADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)[nH]1 ZINC000080974646 1087290905 /nfs/dbraw/zinc/29/09/05/1087290905.db2.gz MSZDLTBYJNUCKN-GOSISDBHSA-N 2 2 357.461 4.104 20 0 FIADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)c1 ZINC000278759629 1087347756 /nfs/dbraw/zinc/34/77/56/1087347756.db2.gz XFZVVCNGAOQKBB-UHFFFAOYSA-N 2 2 357.445 4.292 20 0 FIADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)c1 ZINC000278759629 1087347760 /nfs/dbraw/zinc/34/77/60/1087347760.db2.gz XFZVVCNGAOQKBB-UHFFFAOYSA-N 2 2 357.445 4.292 20 0 FIADLP C[C@@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158824552 1087367732 /nfs/dbraw/zinc/36/77/32/1087367732.db2.gz DWJTZZBLFYNRMQ-HXOBKFHXSA-N 2 2 357.457 4.410 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000584437414 1087411368 /nfs/dbraw/zinc/41/13/68/1087411368.db2.gz HXPAGKBLUYJLNX-UHFFFAOYSA-N 2 2 363.509 4.274 20 0 FIADLP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000090667032 1087413640 /nfs/dbraw/zinc/41/36/40/1087413640.db2.gz QVLBBGYXEFCHNQ-ZWKOTPCHSA-N 2 2 353.510 4.357 20 0 FIADLP CCCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092071968 1087437777 /nfs/dbraw/zinc/43/77/77/1087437777.db2.gz DFOCXPIMWXIKTL-OAHLLOKOSA-N 2 2 363.889 4.240 20 0 FIADLP CCCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092071968 1087437781 /nfs/dbraw/zinc/43/77/81/1087437781.db2.gz DFOCXPIMWXIKTL-OAHLLOKOSA-N 2 2 363.889 4.240 20 0 FIADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OCCC(C)C ZINC000092072917 1087438141 /nfs/dbraw/zinc/43/81/41/1087438141.db2.gz LTGBQRIAXCSMLT-GOSISDBHSA-N 2 2 357.498 4.223 20 0 FIADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OCCC(C)C ZINC000092072917 1087438143 /nfs/dbraw/zinc/43/81/43/1087438143.db2.gz LTGBQRIAXCSMLT-GOSISDBHSA-N 2 2 357.498 4.223 20 0 FIADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C(F)F)nc1 ZINC000657897695 1087592960 /nfs/dbraw/zinc/59/29/60/1087592960.db2.gz VEZGPILEBJYEKA-KDOFPFPSSA-N 2 2 356.420 4.387 20 0 FIADLP Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CCc4[nH+]c[nH]c4C2)CCC3)cc1 ZINC000685662129 1087667612 /nfs/dbraw/zinc/66/76/12/1087667612.db2.gz HIVWBWCSMYYGIU-ZBFHGGJFSA-N 2 2 368.481 4.197 20 0 FIADLP FCC1(CF)CC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000658002960 1087696922 /nfs/dbraw/zinc/69/69/22/1087696922.db2.gz GHJYWKHSDXAJLC-FCHUYYIVSA-N 2 2 370.487 4.332 20 0 FIADLP FCC1(CF)CC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000658002960 1087696925 /nfs/dbraw/zinc/69/69/25/1087696925.db2.gz GHJYWKHSDXAJLC-FCHUYYIVSA-N 2 2 370.487 4.332 20 0 FIADLP COC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1cccc(OC)c1 ZINC000658165568 1087760277 /nfs/dbraw/zinc/76/02/77/1087760277.db2.gz RUQDEXBFXXHOQS-AGHHOFFYSA-N 2 2 360.542 4.015 20 0 FIADLP COC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)c1cccc(OC)c1 ZINC000658165572 1087760533 /nfs/dbraw/zinc/76/05/33/1087760533.db2.gz RUQDEXBFXXHOQS-XJABCFGWSA-N 2 2 360.542 4.015 20 0 FIADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCOC3CCCCC3)CC2)cc1 ZINC000162994355 1088034079 /nfs/dbraw/zinc/03/40/79/1088034079.db2.gz LARCNZJYABJSBU-UHFFFAOYSA-N 2 2 359.558 4.050 20 0 FIADLP COc1ccccc1-c1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000685933033 1088233093 /nfs/dbraw/zinc/23/30/93/1088233093.db2.gz LIZRAYPSWDURIW-INIZCTEOSA-N 2 2 374.444 4.387 20 0 FIADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414814863 1088239391 /nfs/dbraw/zinc/23/93/91/1088239391.db2.gz OGXSSHBLARKCTI-QGZVFWFLSA-N 2 2 359.901 4.199 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCc3c1cccc3Br)CCC2 ZINC000513865067 1088459763 /nfs/dbraw/zinc/45/97/63/1088459763.db2.gz BEUBRSFPMSWDSV-CXAGYDPISA-N 2 2 360.299 4.109 20 0 FIADLP Cc1ccc2[nH]c(C[NH+]3CC[C@H](C[N@@H+](C)Cc4cccnc4)C3)cc2c1C ZINC000434637954 1088909529 /nfs/dbraw/zinc/90/95/29/1088909529.db2.gz PZBBNTIZAKVGSC-HXUWFJFHSA-N 2 2 362.521 4.134 20 0 FIADLP Cc1ccc2[nH]c(C[NH+]3CC[C@H](C[N@H+](C)Cc4cccnc4)C3)cc2c1C ZINC000434637954 1088909532 /nfs/dbraw/zinc/90/95/32/1088909532.db2.gz PZBBNTIZAKVGSC-HXUWFJFHSA-N 2 2 362.521 4.134 20 0 FIADLP Cc1ccc2[nH]c(C[N@H+]3CC[C@H](C[NH+](C)Cc4cccnc4)C3)cc2c1C ZINC000434637954 1088909533 /nfs/dbraw/zinc/90/95/33/1088909533.db2.gz PZBBNTIZAKVGSC-HXUWFJFHSA-N 2 2 362.521 4.134 20 0 FIADLP Cc1ccc2[nH]c(C[N@@H+]3CC[C@H](C[NH+](C)Cc4cccnc4)C3)cc2c1C ZINC000434637954 1088909534 /nfs/dbraw/zinc/90/95/34/1088909534.db2.gz PZBBNTIZAKVGSC-HXUWFJFHSA-N 2 2 362.521 4.134 20 0 FIADLP CC(C)(C)c1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cs1 ZINC000434666848 1088932326 /nfs/dbraw/zinc/93/23/26/1088932326.db2.gz RXHWMXBVXACBLM-UHFFFAOYSA-N 2 2 358.555 4.353 20 0 FIADLP CO[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000514239410 1088934445 /nfs/dbraw/zinc/93/44/45/1088934445.db2.gz MOHKVHMXCAVTKV-FQEVSTJZSA-N 2 2 361.917 4.416 20 0 FIADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC([NH+](C)C)CC1 ZINC000434671403 1088936904 /nfs/dbraw/zinc/93/69/04/1088936904.db2.gz HSTLUKNVJHSAMQ-KRWDZBQOSA-N 2 2 351.494 4.026 20 0 FIADLP Cn1cc([C@H]2[C@H](C[N@H+](C)[C@@H]3CCc4ccc(Cl)cc43)CCC[NH+]2C)cn1 ZINC000434739944 1089009195 /nfs/dbraw/zinc/00/91/95/1089009195.db2.gz XODJPXXRNULJTA-ZLGUVYLKSA-N 2 2 372.944 4.076 20 0 FIADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)[C@@H]3CCc4ccc(Cl)cc43)CCC[NH+]2C)cn1 ZINC000434739944 1089009201 /nfs/dbraw/zinc/00/92/01/1089009201.db2.gz XODJPXXRNULJTA-ZLGUVYLKSA-N 2 2 372.944 4.076 20 0 FIADLP Cn1cc([C@H]2[C@H](C[NH+](C)[C@@H]3CCc4ccc(Cl)cc43)CCC[N@@H+]2C)cn1 ZINC000434739944 1089009221 /nfs/dbraw/zinc/00/92/21/1089009221.db2.gz XODJPXXRNULJTA-ZLGUVYLKSA-N 2 2 372.944 4.076 20 0 FIADLP Cn1cc([C@H]2[C@H](C[NH+](C)[C@@H]3CCc4ccc(Cl)cc43)CCC[N@H+]2C)cn1 ZINC000434739944 1089009233 /nfs/dbraw/zinc/00/92/33/1089009233.db2.gz XODJPXXRNULJTA-ZLGUVYLKSA-N 2 2 372.944 4.076 20 0 FIADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CCc2ccc(Cl)cc21 ZINC000434746883 1089014908 /nfs/dbraw/zinc/01/49/08/1089014908.db2.gz PBFDGUILCPESNX-YYWHXJBOSA-N 2 2 355.913 4.347 20 0 FIADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CCc2ccc(Cl)cc21 ZINC000434746883 1089014923 /nfs/dbraw/zinc/01/49/23/1089014923.db2.gz PBFDGUILCPESNX-YYWHXJBOSA-N 2 2 355.913 4.347 20 0 FIADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@H]1CCc2ccc(Cl)cc21 ZINC000434746883 1089014939 /nfs/dbraw/zinc/01/49/39/1089014939.db2.gz PBFDGUILCPESNX-YYWHXJBOSA-N 2 2 355.913 4.347 20 0 FIADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@H]1CCc2ccc(Cl)cc21 ZINC000434746883 1089014951 /nfs/dbraw/zinc/01/49/51/1089014951.db2.gz PBFDGUILCPESNX-YYWHXJBOSA-N 2 2 355.913 4.347 20 0 FIADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000415059847 1089106844 /nfs/dbraw/zinc/10/68/44/1089106844.db2.gz ZNPDWFGMKNTPHZ-CQSZACIVSA-N 2 2 368.344 4.036 20 0 FIADLP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2nc(C(C)C)n3ccccc23)c1 ZINC000514609667 1089264942 /nfs/dbraw/zinc/26/49/42/1089264942.db2.gz TUGUXXFTPQNUQX-UHFFFAOYSA-N 2 2 350.510 4.199 20 0 FIADLP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2nc(C(C)C)n3ccccc23)c1 ZINC000514609667 1089264956 /nfs/dbraw/zinc/26/49/56/1089264956.db2.gz TUGUXXFTPQNUQX-UHFFFAOYSA-N 2 2 350.510 4.199 20 0 FIADLP CC[N@H+](CCCc1ccccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000505604427 1089272023 /nfs/dbraw/zinc/27/20/23/1089272023.db2.gz PDYVGYXQVIVVCS-UHFFFAOYSA-N 2 2 367.537 4.261 20 0 FIADLP CC[N@@H+](CCCc1ccccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000505604427 1089272037 /nfs/dbraw/zinc/27/20/37/1089272037.db2.gz PDYVGYXQVIVVCS-UHFFFAOYSA-N 2 2 367.537 4.261 20 0 FIADLP Cc1cc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000514660962 1089320466 /nfs/dbraw/zinc/32/04/66/1089320466.db2.gz HIWJCKREDAGFMR-FOUFQHLJSA-N 2 2 359.901 4.340 20 0 FIADLP Cc1cc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000514660962 1089320481 /nfs/dbraw/zinc/32/04/81/1089320481.db2.gz HIWJCKREDAGFMR-FOUFQHLJSA-N 2 2 359.901 4.340 20 0 FIADLP Cc1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000514660963 1089321169 /nfs/dbraw/zinc/32/11/69/1089321169.db2.gz HIWJCKREDAGFMR-HAYQSNGGSA-N 2 2 359.901 4.340 20 0 FIADLP Cc1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000514660963 1089321196 /nfs/dbraw/zinc/32/11/96/1089321196.db2.gz HIWJCKREDAGFMR-HAYQSNGGSA-N 2 2 359.901 4.340 20 0 FIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCCN(c2ccccc2)C1 ZINC000514888380 1089577150 /nfs/dbraw/zinc/57/71/50/1089577150.db2.gz SXYSHTQVWNLKDB-SFHVURJKSA-N 2 2 352.507 4.035 20 0 FIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCCN(c2ccccc2)C1 ZINC000514888380 1089577158 /nfs/dbraw/zinc/57/71/58/1089577158.db2.gz SXYSHTQVWNLKDB-SFHVURJKSA-N 2 2 352.507 4.035 20 0 FIADLP CC[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ncc(C[NH+](C)C)s1 ZINC000425364454 1089587847 /nfs/dbraw/zinc/58/78/47/1089587847.db2.gz GPTSAILJVBPQKS-UHFFFAOYSA-N 2 2 371.472 4.288 20 0 FIADLP CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ncc(C[NH+](C)C)s1 ZINC000425364454 1089587865 /nfs/dbraw/zinc/58/78/65/1089587865.db2.gz GPTSAILJVBPQKS-UHFFFAOYSA-N 2 2 371.472 4.288 20 0 FIADLP FC(F)(F)c1cccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435387710 1089592892 /nfs/dbraw/zinc/59/28/92/1089592892.db2.gz BDIAINJBODFTMU-LJQANCHMSA-N 2 2 363.427 4.245 20 0 FIADLP FC(F)(F)c1cccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435387710 1089592907 /nfs/dbraw/zinc/59/29/07/1089592907.db2.gz BDIAINJBODFTMU-LJQANCHMSA-N 2 2 363.427 4.245 20 0 FIADLP FC(F)(F)c1ccccc1C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435392833 1089599229 /nfs/dbraw/zinc/59/92/29/1089599229.db2.gz YCKURAFWKOTRBW-SFHVURJKSA-N 2 2 363.427 4.245 20 0 FIADLP FC(F)(F)c1ccccc1C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435392833 1089599250 /nfs/dbraw/zinc/59/92/50/1089599250.db2.gz YCKURAFWKOTRBW-SFHVURJKSA-N 2 2 363.427 4.245 20 0 FIADLP c1cc(C[N@H+](Cc2csc(C3CC3)n2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435428689 1089645030 /nfs/dbraw/zinc/64/50/30/1089645030.db2.gz TYNYPDAENCHKGJ-KRWDZBQOSA-N 2 2 359.564 4.226 20 0 FIADLP c1cc(C[N@@H+](Cc2csc(C3CC3)n2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435428689 1089645036 /nfs/dbraw/zinc/64/50/36/1089645036.db2.gz TYNYPDAENCHKGJ-KRWDZBQOSA-N 2 2 359.564 4.226 20 0 FIADLP CCn1ccnc1C[N@H+](Cc1ccc(Cl)c(C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435436831 1089660870 /nfs/dbraw/zinc/66/08/70/1089660870.db2.gz HLZFUTSFDHHIDD-IBGZPJMESA-N 2 2 372.944 4.009 20 0 FIADLP CCn1ccnc1C[N@@H+](Cc1ccc(Cl)c(C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435436831 1089660875 /nfs/dbraw/zinc/66/08/75/1089660875.db2.gz HLZFUTSFDHHIDD-IBGZPJMESA-N 2 2 372.944 4.009 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000182092648 1090042351 /nfs/dbraw/zinc/04/23/51/1090042351.db2.gz XLXSAZGKZJFUGO-AWEZNQCLSA-N 2 2 358.536 4.060 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000182092648 1090042361 /nfs/dbraw/zinc/04/23/61/1090042361.db2.gz XLXSAZGKZJFUGO-AWEZNQCLSA-N 2 2 358.536 4.060 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000893202364 1090293578 /nfs/dbraw/zinc/29/35/78/1090293578.db2.gz GQMIYVXXZFLRLK-CQSZACIVSA-N 2 2 363.427 4.474 20 0 FIADLP COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC000659955366 1090314258 /nfs/dbraw/zinc/31/42/58/1090314258.db2.gz RMJUPRCDDGLDPE-NQIIRXRSSA-N 2 2 370.537 4.056 20 0 FIADLP COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC000659955366 1090314267 /nfs/dbraw/zinc/31/42/67/1090314267.db2.gz RMJUPRCDDGLDPE-NQIIRXRSSA-N 2 2 370.537 4.056 20 0 FIADLP COc1ccccc1-c1ccc([C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000659955366 1090314275 /nfs/dbraw/zinc/31/42/75/1090314275.db2.gz RMJUPRCDDGLDPE-NQIIRXRSSA-N 2 2 370.537 4.056 20 0 FIADLP COc1ccccc1-c1ccc([C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000659955366 1090314283 /nfs/dbraw/zinc/31/42/83/1090314283.db2.gz RMJUPRCDDGLDPE-NQIIRXRSSA-N 2 2 370.537 4.056 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cnn(-c2ccccc2)c1 ZINC000312150473 1090323471 /nfs/dbraw/zinc/32/34/71/1090323471.db2.gz FXMYJASGTVULOM-IBGZPJMESA-N 2 2 360.505 4.188 20 0 FIADLP C[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000185312188 1090532876 /nfs/dbraw/zinc/53/28/76/1090532876.db2.gz XGNPEMLYRVXLOP-QRWLVFNGSA-N 2 2 355.869 4.084 20 0 FIADLP CCc1nc([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cs1 ZINC000162369530 1090764529 /nfs/dbraw/zinc/76/45/29/1090764529.db2.gz NKNWSLBDOTZTAM-OAHLLOKOSA-N 2 2 358.555 4.091 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000925589866 1090769339 /nfs/dbraw/zinc/76/93/39/1090769339.db2.gz CBXIXCDNVDSIJE-JTSKRJEESA-N 2 2 350.510 4.133 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nsc2ccccc21 ZINC000660306731 1090989108 /nfs/dbraw/zinc/98/91/08/1090989108.db2.gz UIIBWYZSJZKPOZ-VQIMIIECSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nsc2ccccc21 ZINC000660306731 1090989109 /nfs/dbraw/zinc/98/91/09/1090989109.db2.gz UIIBWYZSJZKPOZ-VQIMIIECSA-N 2 2 351.519 4.297 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000390581132 1091288977 /nfs/dbraw/zinc/28/89/77/1091288977.db2.gz ICOWCFHTKRHJIX-PXNSSMCTSA-N 2 2 354.494 4.019 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1OC ZINC000390581132 1091288983 /nfs/dbraw/zinc/28/89/83/1091288983.db2.gz ICOWCFHTKRHJIX-PXNSSMCTSA-N 2 2 354.494 4.019 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](CCc2nsc3ccccc23)CC1 ZINC000660429580 1091391248 /nfs/dbraw/zinc/39/12/48/1091391248.db2.gz HYNTZUOMVQGORY-UHFFFAOYSA-N 2 2 353.491 4.086 20 0 FIADLP Fc1ccc([C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000390707985 1091419882 /nfs/dbraw/zinc/41/98/82/1091419882.db2.gz VWPBTBPYDAIVDY-XZOQPEGZSA-N 2 2 368.496 4.158 20 0 FIADLP Fc1ccc([C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000390707985 1091419889 /nfs/dbraw/zinc/41/98/89/1091419889.db2.gz VWPBTBPYDAIVDY-XZOQPEGZSA-N 2 2 368.496 4.158 20 0 FIADLP C[C@@H](c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1)C(F)(F)F ZINC000660474366 1091592892 /nfs/dbraw/zinc/59/28/92/1091592892.db2.gz IDDUSTUFLFTNHK-LPHOPBHVSA-N 2 2 370.459 4.039 20 0 FIADLP C[C@@H](c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1)C(F)(F)F ZINC000660474366 1091592900 /nfs/dbraw/zinc/59/29/00/1091592900.db2.gz IDDUSTUFLFTNHK-LPHOPBHVSA-N 2 2 370.459 4.039 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000614030168 1092102759 /nfs/dbraw/zinc/10/27/59/1092102759.db2.gz HWXFZFSWWYIWOK-GOSISDBHSA-N 2 2 374.488 4.499 20 0 FIADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000614030168 1092102767 /nfs/dbraw/zinc/10/27/67/1092102767.db2.gz HWXFZFSWWYIWOK-GOSISDBHSA-N 2 2 374.488 4.499 20 0 FIADLP Cc1cccc([C@@H](CNc2cc[nH+]c3cc(F)ccc23)[NH+]2CCOCC2)c1 ZINC000500500941 1092150820 /nfs/dbraw/zinc/15/08/20/1092150820.db2.gz LLRTVMGURSKBOX-JOCHJYFZSA-N 2 2 365.452 4.168 20 0 FIADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000236827473 1092427749 /nfs/dbraw/zinc/42/77/49/1092427749.db2.gz ROTJLDCBLQYHKM-CYBMUJFWSA-N 2 2 367.971 4.379 20 0 FIADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000236827473 1092427751 /nfs/dbraw/zinc/42/77/51/1092427751.db2.gz ROTJLDCBLQYHKM-CYBMUJFWSA-N 2 2 367.971 4.379 20 0 FIADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000432812162 1092468688 /nfs/dbraw/zinc/46/86/88/1092468688.db2.gz HDFJQCZHQZGCBU-OAHLLOKOSA-N 2 2 355.507 4.472 20 0 FIADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000432812162 1092468695 /nfs/dbraw/zinc/46/86/95/1092468695.db2.gz HDFJQCZHQZGCBU-OAHLLOKOSA-N 2 2 355.507 4.472 20 0 FIADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OCc1ccccc1 ZINC000432812215 1092473186 /nfs/dbraw/zinc/47/31/86/1092473186.db2.gz HOLBQRGOIPMIKQ-OAQYLSRUSA-N 2 2 368.521 4.190 20 0 FIADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OCc1ccccc1 ZINC000432812215 1092473192 /nfs/dbraw/zinc/47/31/92/1092473192.db2.gz HOLBQRGOIPMIKQ-OAQYLSRUSA-N 2 2 368.521 4.190 20 0 FIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)o1 ZINC000237465048 1092499539 /nfs/dbraw/zinc/49/95/39/1092499539.db2.gz PLSYEMBLULVYGF-IIBYNOLFSA-N 2 2 353.510 4.228 20 0 FIADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245560445 1092663890 /nfs/dbraw/zinc/66/38/90/1092663890.db2.gz BXBOFWNLZCLYLS-JKIFEVAISA-N 2 2 371.872 4.231 20 0 FIADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245560445 1092663894 /nfs/dbraw/zinc/66/38/94/1092663894.db2.gz BXBOFWNLZCLYLS-JKIFEVAISA-N 2 2 371.872 4.231 20 0 FIADLP Fc1ccccc1COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000521816958 1092936339 /nfs/dbraw/zinc/93/63/39/1092936339.db2.gz OZBIDWJWLZENKI-FCHUYYIVSA-N 2 2 354.469 4.121 20 0 FIADLP Fc1ccccc1COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000521816958 1092936340 /nfs/dbraw/zinc/93/63/40/1092936340.db2.gz OZBIDWJWLZENKI-FCHUYYIVSA-N 2 2 354.469 4.121 20 0 FIADLP Fc1cccc(C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]2CCCO2)c1 ZINC000544350910 1092963997 /nfs/dbraw/zinc/96/39/97/1092963997.db2.gz LDYTUFZHBICXJJ-LJQANCHMSA-N 2 2 371.481 4.254 20 0 FIADLP Fc1cccc(C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]2CCCO2)c1 ZINC000544350910 1092963998 /nfs/dbraw/zinc/96/39/98/1092963998.db2.gz LDYTUFZHBICXJJ-LJQANCHMSA-N 2 2 371.481 4.254 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015282 1092997276 /nfs/dbraw/zinc/99/72/76/1092997276.db2.gz QMDRBHSAFFVSEB-CUDBPUKSSA-N 3 2 357.586 4.282 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015282 1092997278 /nfs/dbraw/zinc/99/72/78/1092997278.db2.gz QMDRBHSAFFVSEB-CUDBPUKSSA-N 3 2 357.586 4.282 20 0 FIADLP C[C@@H]1CCCC[NH+]1CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015282 1092997281 /nfs/dbraw/zinc/99/72/81/1092997281.db2.gz QMDRBHSAFFVSEB-CUDBPUKSSA-N 3 2 357.586 4.282 20 0 FIADLP C[C@@H]1CCCC[NH+]1CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015282 1092997287 /nfs/dbraw/zinc/99/72/87/1092997287.db2.gz QMDRBHSAFFVSEB-CUDBPUKSSA-N 3 2 357.586 4.282 20 0 FIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)C1CC1 ZINC000474055652 1093160701 /nfs/dbraw/zinc/16/07/01/1093160701.db2.gz IWPQXTXVUNBYOH-KAOXLYBCSA-N 2 2 356.554 4.082 20 0 FIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)C1CC1 ZINC000474055652 1093160707 /nfs/dbraw/zinc/16/07/07/1093160707.db2.gz IWPQXTXVUNBYOH-KAOXLYBCSA-N 2 2 356.554 4.082 20 0 FIADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000474059706 1093167473 /nfs/dbraw/zinc/16/74/73/1093167473.db2.gz ORKNBSZDYWROLC-QFIPXVFZSA-N 2 2 361.489 4.452 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)o2)cc1 ZINC000614235439 1093277455 /nfs/dbraw/zinc/27/74/55/1093277455.db2.gz IVZPKMDRNZOMSV-QFBILLFUSA-N 2 2 370.493 4.038 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)o2)cc1 ZINC000614235439 1093277460 /nfs/dbraw/zinc/27/74/60/1093277460.db2.gz IVZPKMDRNZOMSV-QFBILLFUSA-N 2 2 370.493 4.038 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)o2)cc1 ZINC000614235439 1093277465 /nfs/dbraw/zinc/27/74/65/1093277465.db2.gz IVZPKMDRNZOMSV-QFBILLFUSA-N 2 2 370.493 4.038 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)o2)cc1 ZINC000614235439 1093277470 /nfs/dbraw/zinc/27/74/70/1093277470.db2.gz IVZPKMDRNZOMSV-QFBILLFUSA-N 2 2 370.493 4.038 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)o2)cc1 ZINC000614235440 1093277633 /nfs/dbraw/zinc/27/76/33/1093277633.db2.gz IVZPKMDRNZOMSV-VQIMIIECSA-N 2 2 370.493 4.038 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)o2)cc1 ZINC000614235440 1093277636 /nfs/dbraw/zinc/27/76/36/1093277636.db2.gz IVZPKMDRNZOMSV-VQIMIIECSA-N 2 2 370.493 4.038 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)o2)cc1 ZINC000614235440 1093277642 /nfs/dbraw/zinc/27/76/42/1093277642.db2.gz IVZPKMDRNZOMSV-VQIMIIECSA-N 2 2 370.493 4.038 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)o2)cc1 ZINC000614235440 1093277648 /nfs/dbraw/zinc/27/76/48/1093277648.db2.gz IVZPKMDRNZOMSV-VQIMIIECSA-N 2 2 370.493 4.038 20 0 FIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cnccc1C ZINC000474105892 1093316757 /nfs/dbraw/zinc/31/67/57/1093316757.db2.gz LPELQLCHNWBHEW-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cnccc1C ZINC000474105892 1093316764 /nfs/dbraw/zinc/31/67/64/1093316764.db2.gz LPELQLCHNWBHEW-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C[C@@H]1C ZINC000443623547 1093344464 /nfs/dbraw/zinc/34/44/64/1093344464.db2.gz PURMMEJMIAMNBI-OXJNMPFZSA-N 2 2 372.944 4.410 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C[C@@H]1C ZINC000443623547 1093344469 /nfs/dbraw/zinc/34/44/69/1093344469.db2.gz PURMMEJMIAMNBI-OXJNMPFZSA-N 2 2 372.944 4.410 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C[C@@H]1C ZINC000443623547 1093344475 /nfs/dbraw/zinc/34/44/75/1093344475.db2.gz PURMMEJMIAMNBI-OXJNMPFZSA-N 2 2 372.944 4.410 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C[C@@H]1C ZINC000443623547 1093344483 /nfs/dbraw/zinc/34/44/83/1093344483.db2.gz PURMMEJMIAMNBI-OXJNMPFZSA-N 2 2 372.944 4.410 20 0 FIADLP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419285162 1093434027 /nfs/dbraw/zinc/43/40/27/1093434027.db2.gz DGYYFZXGTWZJOY-SJORKVTESA-N 2 2 357.542 4.134 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2COCc3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168025871 1093442343 /nfs/dbraw/zinc/44/23/43/1093442343.db2.gz KDZWUWICMYUGNL-OXHIVJRSSA-N 2 2 350.506 4.289 20 0 FIADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000433305766 1093559931 /nfs/dbraw/zinc/55/99/31/1093559931.db2.gz QBSSBLIABCACSB-KRWDZBQOSA-N 2 2 367.415 4.144 20 0 FIADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000433305766 1093559937 /nfs/dbraw/zinc/55/99/37/1093559937.db2.gz QBSSBLIABCACSB-KRWDZBQOSA-N 2 2 367.415 4.144 20 0 FIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(-c3cc[nH]n3)o2)c(C)c1 ZINC000433335518 1093594286 /nfs/dbraw/zinc/59/42/86/1093594286.db2.gz QAVJWRPMMWBODW-FQEVSTJZSA-N 2 2 361.449 4.014 20 0 FIADLP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)cc1 ZINC001211884879 1093631190 /nfs/dbraw/zinc/63/11/90/1093631190.db2.gz ICKYJEUEVBLSBE-UXHICEINSA-N 2 2 362.477 4.354 20 0 FIADLP CC[NH+](CC)CC1CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000052441510 1093749199 /nfs/dbraw/zinc/74/91/99/1093749199.db2.gz FTFGJCYDMUFZPE-UHFFFAOYSA-N 2 2 373.566 4.276 20 0 FIADLP Clc1cccc2c(NCC3CC[NH+](C4CCOCC4)CC3)cc[nH+]c12 ZINC000664153298 1093869601 /nfs/dbraw/zinc/86/96/01/1093869601.db2.gz TULKFIAJLTUJEA-UHFFFAOYSA-N 2 2 359.901 4.191 20 0 FIADLP c1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3cccc(-c4ccncc4)c3)C1)CCCC2 ZINC000433758684 1094082377 /nfs/dbraw/zinc/08/23/77/1094082377.db2.gz NRHQZKMWMQKNHU-NRFANRHFSA-N 2 2 358.489 4.271 20 0 FIADLP c1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3cccc(-c4ccncc4)c3)C1)CCCC2 ZINC000433758684 1094082381 /nfs/dbraw/zinc/08/23/81/1094082381.db2.gz NRHQZKMWMQKNHU-NRFANRHFSA-N 2 2 358.489 4.271 20 0 FIADLP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000474805187 1094642912 /nfs/dbraw/zinc/64/29/12/1094642912.db2.gz SYESUEVFIBRBMU-IFMALSPDSA-N 2 2 374.532 4.323 20 0 FIADLP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000474805187 1094642923 /nfs/dbraw/zinc/64/29/23/1094642923.db2.gz SYESUEVFIBRBMU-IFMALSPDSA-N 2 2 374.532 4.323 20 0 FIADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000501464292 1094721812 /nfs/dbraw/zinc/72/18/12/1094721812.db2.gz ZANGSOQOOCBDDP-QXSWTLKVSA-N 2 2 358.473 4.136 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420393512 1094910484 /nfs/dbraw/zinc/91/04/84/1094910484.db2.gz JUQSJBZYDXVINW-WIYYLYMNSA-N 2 2 371.569 4.336 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420393512 1094910489 /nfs/dbraw/zinc/91/04/89/1094910489.db2.gz JUQSJBZYDXVINW-WIYYLYMNSA-N 2 2 371.569 4.336 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H](C)CCc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000502025124 1095052648 /nfs/dbraw/zinc/05/26/48/1095052648.db2.gz CIGIJAYZGAMZTJ-UNWVZKJWSA-N 2 2 368.569 4.146 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H](C)CCc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000502025124 1095052663 /nfs/dbraw/zinc/05/26/63/1095052663.db2.gz CIGIJAYZGAMZTJ-UNWVZKJWSA-N 2 2 368.569 4.146 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H](C)CCc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000502025124 1095052677 /nfs/dbraw/zinc/05/26/77/1095052677.db2.gz CIGIJAYZGAMZTJ-UNWVZKJWSA-N 2 2 368.569 4.146 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H](C)CCc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000502025124 1095052689 /nfs/dbraw/zinc/05/26/89/1095052689.db2.gz CIGIJAYZGAMZTJ-UNWVZKJWSA-N 2 2 368.569 4.146 20 0 FIADLP CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000420929914 1095170127 /nfs/dbraw/zinc/17/01/27/1095170127.db2.gz DWAKGSOQKRHAHW-LJQANCHMSA-N 2 2 368.521 4.157 20 0 FIADLP C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420976530 1095222021 /nfs/dbraw/zinc/22/20/21/1095222021.db2.gz QVOWZLCRHDISCY-FRQCXROJSA-N 2 2 370.459 4.070 20 0 FIADLP C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420976530 1095222029 /nfs/dbraw/zinc/22/20/29/1095222029.db2.gz QVOWZLCRHDISCY-FRQCXROJSA-N 2 2 370.459 4.070 20 0 FIADLP CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000502324067 1095349354 /nfs/dbraw/zinc/34/93/54/1095349354.db2.gz ADFINNBJOOEWNX-HNNXBMFYSA-N 2 2 358.555 4.353 20 0 FIADLP CC(C)(C)c1cnc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000502324067 1095349367 /nfs/dbraw/zinc/34/93/67/1095349367.db2.gz ADFINNBJOOEWNX-HNNXBMFYSA-N 2 2 358.555 4.353 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168048298 1095445440 /nfs/dbraw/zinc/44/54/40/1095445440.db2.gz VFTJWXUGZKUTJV-JFDOVZFRSA-N 2 2 374.528 4.340 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168048298 1095445447 /nfs/dbraw/zinc/44/54/47/1095445447.db2.gz VFTJWXUGZKUTJV-JFDOVZFRSA-N 2 2 374.528 4.340 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168048298 1095445453 /nfs/dbraw/zinc/44/54/53/1095445453.db2.gz VFTJWXUGZKUTJV-JFDOVZFRSA-N 2 2 374.528 4.340 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168048298 1095445464 /nfs/dbraw/zinc/44/54/64/1095445464.db2.gz VFTJWXUGZKUTJV-JFDOVZFRSA-N 2 2 374.528 4.340 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC[N@@H+]1C ZINC000421371459 1095571558 /nfs/dbraw/zinc/57/15/58/1095571558.db2.gz XVQQWCITHDEMNA-PXNSSMCTSA-N 2 2 352.526 4.238 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC[N@H+]1C ZINC000421371459 1095571568 /nfs/dbraw/zinc/57/15/68/1095571568.db2.gz XVQQWCITHDEMNA-PXNSSMCTSA-N 2 2 352.526 4.238 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCOc3ccccc3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168051022 1095768921 /nfs/dbraw/zinc/76/89/21/1095768921.db2.gz FIWYJDOYYIGJFQ-HATOLVCRSA-N 2 2 350.506 4.323 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCOc3ccccc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168051022 1095768933 /nfs/dbraw/zinc/76/89/33/1095768933.db2.gz FIWYJDOYYIGJFQ-HATOLVCRSA-N 2 2 350.506 4.323 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+]2CCOc3ccccc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051022 1095768941 /nfs/dbraw/zinc/76/89/41/1095768941.db2.gz FIWYJDOYYIGJFQ-HATOLVCRSA-N 2 2 350.506 4.323 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+]2CCOc3ccccc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051022 1095768948 /nfs/dbraw/zinc/76/89/48/1095768948.db2.gz FIWYJDOYYIGJFQ-HATOLVCRSA-N 2 2 350.506 4.323 20 0 FIADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281952745 1095777306 /nfs/dbraw/zinc/77/73/06/1095777306.db2.gz FRFGAJNLIKLSGC-HOTGVXAUSA-N 2 2 356.514 4.446 20 0 FIADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281952745 1095777316 /nfs/dbraw/zinc/77/73/16/1095777316.db2.gz FRFGAJNLIKLSGC-HOTGVXAUSA-N 2 2 356.514 4.446 20 0 FIADLP COc1cccc(OC)c1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000713801026 1095783371 /nfs/dbraw/zinc/78/33/71/1095783371.db2.gz DRJSAKXZIZKIAO-BJLQDIEVSA-N 2 2 368.521 4.408 20 0 FIADLP COc1cccc(OC)c1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000713801026 1095783376 /nfs/dbraw/zinc/78/33/76/1095783376.db2.gz DRJSAKXZIZKIAO-BJLQDIEVSA-N 2 2 368.521 4.408 20 0 FIADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000421821450 1095934116 /nfs/dbraw/zinc/93/41/16/1095934116.db2.gz RLZIZAVVJVCLER-MRXNPFEDSA-N 2 2 369.896 4.487 20 0 FIADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421821580 1095934740 /nfs/dbraw/zinc/93/47/40/1095934740.db2.gz SDKXCCMOCOPOMS-INIZCTEOSA-N 2 2 374.912 4.032 20 0 FIADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(C)c1OC ZINC000513763249 1096080449 /nfs/dbraw/zinc/08/04/49/1096080449.db2.gz WGUQQXQIARSWPA-KRWDZBQOSA-N 2 2 365.477 4.108 20 0 FIADLP Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503372866 1096372311 /nfs/dbraw/zinc/37/23/11/1096372311.db2.gz HMBANWXRUSXFDP-HNNXBMFYSA-N 2 2 361.892 4.434 20 0 FIADLP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503372866 1096372319 /nfs/dbraw/zinc/37/23/19/1096372319.db2.gz HMBANWXRUSXFDP-HNNXBMFYSA-N 2 2 361.892 4.434 20 0 FIADLP COc1cccc(CCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503439070 1096402602 /nfs/dbraw/zinc/40/26/02/1096402602.db2.gz IUKSRSIJJSYWFZ-IBGZPJMESA-N 2 2 353.510 4.040 20 0 FIADLP COc1cccc(CCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503439070 1096402613 /nfs/dbraw/zinc/40/26/13/1096402613.db2.gz IUKSRSIJJSYWFZ-IBGZPJMESA-N 2 2 353.510 4.040 20 0 FIADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000422710858 1096459543 /nfs/dbraw/zinc/45/95/43/1096459543.db2.gz GGPSXIGDVIRGDC-URXFXBBRSA-N 3 2 374.532 4.206 20 0 FIADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)c2ccccc21 ZINC000422722840 1096471618 /nfs/dbraw/zinc/47/16/18/1096471618.db2.gz YYFWVQGNRAGPDX-VXKWHMMOSA-N 2 2 363.505 4.440 20 0 FIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422747205 1096480552 /nfs/dbraw/zinc/48/05/52/1096480552.db2.gz PMCLBCJLKAMUGC-TWHAJKEOSA-N 3 2 355.570 4.112 20 0 FIADLP Brc1ccc2[nH+]ccc(N3CC[NH+](C4CCCC4)CC3)c2c1 ZINC000503577501 1096482827 /nfs/dbraw/zinc/48/28/27/1096482827.db2.gz XKJSGGCSCLCMOP-UHFFFAOYSA-N 2 2 360.299 4.062 20 0 FIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)c2ccccc21 ZINC000422767525 1096485436 /nfs/dbraw/zinc/48/54/36/1096485436.db2.gz SQFHPRZCHDQSNK-ZACQAIPSSA-N 2 2 359.267 4.007 20 0 FIADLP COc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2Cl)cc1 ZINC000422926678 1096527031 /nfs/dbraw/zinc/52/70/31/1096527031.db2.gz XIHNHXYLHXXJGH-MNYSVQCOSA-N 2 2 356.897 4.311 20 0 FIADLP CC(C)[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000423043650 1096559556 /nfs/dbraw/zinc/55/95/56/1096559556.db2.gz PKVOJNLYRYQHCA-MBDNFAEBSA-N 2 2 371.475 4.223 20 0 FIADLP CC(C)[N@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000423043650 1096559562 /nfs/dbraw/zinc/55/95/62/1096559562.db2.gz PKVOJNLYRYQHCA-MBDNFAEBSA-N 2 2 371.475 4.223 20 0 FIADLP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000423332427 1096650138 /nfs/dbraw/zinc/65/01/38/1096650138.db2.gz DFQGAJSZFCJYIL-HNNXBMFYSA-N 2 2 360.461 4.158 20 0 FIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000423508982 1096702104 /nfs/dbraw/zinc/70/21/04/1096702104.db2.gz RIOUOFFWHBRQNU-IFXJQAMLSA-N 2 2 366.534 4.427 20 0 FIADLP C[C@@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000435992709 1098624635 /nfs/dbraw/zinc/62/46/35/1098624635.db2.gz HTZKIVCPSGRTBT-ZACQAIPSSA-N 2 2 366.509 4.086 20 0 FIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)[nH+]1 ZINC000436275623 1098901646 /nfs/dbraw/zinc/90/16/46/1098901646.db2.gz PGLHTZKQASXVMG-GOTSBHOMSA-N 2 2 359.517 4.475 20 0 FIADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000515869954 1098997423 /nfs/dbraw/zinc/99/74/23/1098997423.db2.gz PDYRUZNXGRSBNJ-GBFLJEJBSA-N 2 2 363.505 4.203 20 0 FIADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000515869954 1098997424 /nfs/dbraw/zinc/99/74/24/1098997424.db2.gz PDYRUZNXGRSBNJ-GBFLJEJBSA-N 2 2 363.505 4.203 20 0 FIADLP CC[NH+](CC)[C@H](CNC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccsc1 ZINC000436493040 1099056167 /nfs/dbraw/zinc/05/61/67/1099056167.db2.gz KTBLINQBHVVQHQ-QGZVFWFLSA-N 2 2 360.527 4.273 20 0 FIADLP C[NH+](C)Cc1ccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000516140366 1099223445 /nfs/dbraw/zinc/22/34/45/1099223445.db2.gz MGHGKQSJHKCIBO-UHFFFAOYSA-N 2 2 374.488 4.200 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000455494598 1099258485 /nfs/dbraw/zinc/25/84/85/1099258485.db2.gz DWVFRNUHYNUKTP-HKUYNNGSSA-N 2 2 372.900 4.227 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000455494598 1099258494 /nfs/dbraw/zinc/25/84/94/1099258494.db2.gz DWVFRNUHYNUKTP-HKUYNNGSSA-N 2 2 372.900 4.227 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c(C)[nH+]1 ZINC000455507163 1099290978 /nfs/dbraw/zinc/29/09/78/1099290978.db2.gz YNJYWZPLHXDKEF-UHFFFAOYSA-N 2 2 358.530 4.127 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000516606451 1099635888 /nfs/dbraw/zinc/63/58/88/1099635888.db2.gz KSEIWOKIRDPQPI-UHFFFAOYSA-N 2 2 355.482 4.006 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1F ZINC000162280835 1099673414 /nfs/dbraw/zinc/67/34/14/1099673414.db2.gz YGFPYXUKICUNEV-INIZCTEOSA-N 2 2 374.475 4.331 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437699487 1100110950 /nfs/dbraw/zinc/11/09/50/1100110950.db2.gz IMCRGXRJHLZLSO-IAGOWNOFSA-N 2 2 358.555 4.225 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437699487 1100110958 /nfs/dbraw/zinc/11/09/58/1100110958.db2.gz IMCRGXRJHLZLSO-IAGOWNOFSA-N 2 2 358.555 4.225 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437699487 1100110962 /nfs/dbraw/zinc/11/09/62/1100110962.db2.gz IMCRGXRJHLZLSO-IAGOWNOFSA-N 2 2 358.555 4.225 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437699487 1100110971 /nfs/dbraw/zinc/11/09/71/1100110971.db2.gz IMCRGXRJHLZLSO-IAGOWNOFSA-N 2 2 358.555 4.225 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C[C@H]1C ZINC000536659651 1100130316 /nfs/dbraw/zinc/13/03/16/1100130316.db2.gz FVMLAEGVFNHJFH-FOIQADDNSA-N 2 2 374.960 4.447 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C[C@H]1C ZINC000536659651 1100130325 /nfs/dbraw/zinc/13/03/25/1100130325.db2.gz FVMLAEGVFNHJFH-FOIQADDNSA-N 2 2 374.960 4.447 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C[C@H]1C ZINC000536659651 1100130334 /nfs/dbraw/zinc/13/03/34/1100130334.db2.gz FVMLAEGVFNHJFH-FOIQADDNSA-N 2 2 374.960 4.447 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C[C@H]1C ZINC000536659651 1100130344 /nfs/dbraw/zinc/13/03/44/1100130344.db2.gz FVMLAEGVFNHJFH-FOIQADDNSA-N 2 2 374.960 4.447 20 0 FIADLP CCn1nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c2ccccc21 ZINC000379621812 1100222800 /nfs/dbraw/zinc/22/28/00/1100222800.db2.gz FWSAYGOVMMMLCT-AZUAARDMSA-N 2 2 362.521 4.199 20 0 FIADLP CCn1nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c2ccccc21 ZINC000379621812 1100222807 /nfs/dbraw/zinc/22/28/07/1100222807.db2.gz FWSAYGOVMMMLCT-AZUAARDMSA-N 2 2 362.521 4.199 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C3CC(C(C)(C)C)C3)CC2)cc1 ZINC000459583639 1100308313 /nfs/dbraw/zinc/30/83/13/1100308313.db2.gz SSMGKLREACLZAX-UHFFFAOYSA-N 2 2 357.542 4.024 20 0 FIADLP C[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1)C[NH+](C)C ZINC000425945147 1100399397 /nfs/dbraw/zinc/39/93/97/1100399397.db2.gz PLGYMYUJLKFTNV-AOMKIAJQSA-N 2 2 351.469 4.251 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(Br)c2)cn1 ZINC000173334956 1101366990 /nfs/dbraw/zinc/36/69/90/1101366990.db2.gz GNNVEQMSSQFLTB-CYBMUJFWSA-N 2 2 371.282 4.189 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2)cn1 ZINC000177232975 1101489531 /nfs/dbraw/zinc/48/95/31/1101489531.db2.gz PXBOEHPZEOGMTA-ZDUSSCGKSA-N 2 2 371.282 4.189 20 0 FIADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc1O ZINC000426398297 1101495784 /nfs/dbraw/zinc/49/57/84/1101495784.db2.gz XASFUYQYTSZVIR-RXVVDRJESA-N 2 2 368.521 4.149 20 0 FIADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(F)cc(Br)c1 ZINC000537295745 1101616839 /nfs/dbraw/zinc/61/68/39/1101616839.db2.gz MVOPXDMUKADKPT-MRXNPFEDSA-N 2 2 354.267 4.306 20 0 FIADLP C[C@H]1C[C@@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c2ccsc2S1 ZINC000537456811 1101824312 /nfs/dbraw/zinc/82/43/12/1101824312.db2.gz YWGAECMRNSUAHT-YSVLISHTSA-N 2 2 374.579 4.321 20 0 FIADLP Brc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000035251068 1101952075 /nfs/dbraw/zinc/95/20/75/1101952075.db2.gz UXHKFUWWASALPO-UHFFFAOYSA-N 2 2 365.340 4.265 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1 ZINC000648462557 1102014422 /nfs/dbraw/zinc/01/44/22/1102014422.db2.gz JUHQJYVZEMRZSF-DLBZAZTESA-N 2 2 371.406 4.398 20 0 FIADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000121896009 1102494811 /nfs/dbraw/zinc/49/48/11/1102494811.db2.gz GZZBXBSNKCERGC-FQEVSTJZSA-N 2 2 353.510 4.389 20 0 FIADLP Cc1nc([C@@H](C)[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000664839366 1102735813 /nfs/dbraw/zinc/73/58/13/1102735813.db2.gz YKNQGOAOYVYUPI-UZLBHIALSA-N 2 2 368.525 4.062 20 0 FIADLP Cc1nc([C@@H](C)[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000664839366 1102735826 /nfs/dbraw/zinc/73/58/26/1102735826.db2.gz YKNQGOAOYVYUPI-UZLBHIALSA-N 2 2 368.525 4.062 20 0 FIADLP CC[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537661411 1102783894 /nfs/dbraw/zinc/78/38/94/1102783894.db2.gz PIZWIJSPNGPMLR-QFIPXVFZSA-N 2 2 374.532 4.216 20 0 FIADLP CC[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537661411 1102783906 /nfs/dbraw/zinc/78/39/06/1102783906.db2.gz PIZWIJSPNGPMLR-QFIPXVFZSA-N 2 2 374.532 4.216 20 0 FIADLP CC[NH+](Cc1cnn(-c2ccccc2)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537661411 1102783918 /nfs/dbraw/zinc/78/39/18/1102783918.db2.gz PIZWIJSPNGPMLR-QFIPXVFZSA-N 2 2 374.532 4.216 20 0 FIADLP CC[NH+](Cc1cnn(-c2ccccc2)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537661411 1102783931 /nfs/dbraw/zinc/78/39/31/1102783931.db2.gz PIZWIJSPNGPMLR-QFIPXVFZSA-N 2 2 374.532 4.216 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)N(C)C)cc1 ZINC000551014267 1102790661 /nfs/dbraw/zinc/79/06/61/1102790661.db2.gz QVTVMSDUIKGDRF-VABKMULXSA-N 2 2 351.538 4.023 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)N(C)C)cc1 ZINC000551014267 1102790675 /nfs/dbraw/zinc/79/06/75/1102790675.db2.gz QVTVMSDUIKGDRF-VABKMULXSA-N 2 2 351.538 4.023 20 0 FIADLP Clc1cc(Br)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000459340865 1102857260 /nfs/dbraw/zinc/85/72/60/1102857260.db2.gz JHROZRVNNFSTLL-UHFFFAOYSA-N 2 2 354.679 4.205 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC2CC2)C[C@H]1c1ccccc1 ZINC000551051007 1102864011 /nfs/dbraw/zinc/86/40/11/1102864011.db2.gz MFANXCOBLBXERG-VXKWHMMOSA-N 2 2 350.506 4.401 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC2CC2)C[C@H]1c1ccccc1 ZINC000551051007 1102864028 /nfs/dbraw/zinc/86/40/28/1102864028.db2.gz MFANXCOBLBXERG-VXKWHMMOSA-N 2 2 350.506 4.401 20 0 FIADLP C[N@H+](Cc1cc(Br)cs1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000506957771 1102980721 /nfs/dbraw/zinc/98/07/21/1102980721.db2.gz PPBUZFYLRIHNCW-UHFFFAOYSA-N 2 2 362.296 4.328 20 0 FIADLP C[N@@H+](Cc1cc(Br)cs1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000506957771 1102980727 /nfs/dbraw/zinc/98/07/27/1102980727.db2.gz PPBUZFYLRIHNCW-UHFFFAOYSA-N 2 2 362.296 4.328 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000551311548 1103088601 /nfs/dbraw/zinc/08/86/01/1103088601.db2.gz ZSFZFPLPEQFMRX-VRVBVOGLSA-N 2 2 369.940 4.481 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000551311548 1103088619 /nfs/dbraw/zinc/08/86/19/1103088619.db2.gz ZSFZFPLPEQFMRX-VRVBVOGLSA-N 2 2 369.940 4.481 20 0 FIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]CC2=Cc3ccccc3OC2)c(C)c1 ZINC000532727437 1103151713 /nfs/dbraw/zinc/15/17/13/1103151713.db2.gz STIGKEFFGZSPFP-QFIPXVFZSA-N 2 2 359.473 4.307 20 0 FIADLP CC1(C)[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H]1Oc1ccccc1 ZINC000551537125 1103338714 /nfs/dbraw/zinc/33/87/14/1103338714.db2.gz MNRISXRXLZYNOF-VXKWHMMOSA-N 2 2 361.489 4.267 20 0 FIADLP CC1(C)[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C[C@@H]1Oc1ccccc1 ZINC000551538967 1103340707 /nfs/dbraw/zinc/34/07/07/1103340707.db2.gz PEYANSULLFZHIL-VXKWHMMOSA-N 2 2 361.489 4.267 20 0 FIADLP CCc1ccc([C@H](COC)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000507461628 1103408252 /nfs/dbraw/zinc/40/82/52/1103408252.db2.gz MOTXNMVLJMNVHF-NMIHRBCNSA-N 2 2 368.521 4.030 20 0 FIADLP CCc1ccc([C@H](COC)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000507461628 1103408259 /nfs/dbraw/zinc/40/82/59/1103408259.db2.gz MOTXNMVLJMNVHF-NMIHRBCNSA-N 2 2 368.521 4.030 20 0 FIADLP CCc1ccc([C@H](COC)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000507461632 1103408509 /nfs/dbraw/zinc/40/85/09/1103408509.db2.gz MOTXNMVLJMNVHF-ZDFPQIBNSA-N 2 2 368.521 4.030 20 0 FIADLP CCc1ccc([C@H](COC)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000507461632 1103408517 /nfs/dbraw/zinc/40/85/17/1103408517.db2.gz MOTXNMVLJMNVHF-ZDFPQIBNSA-N 2 2 368.521 4.030 20 0 FIADLP CC[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1ccccc1C ZINC000507520274 1103463548 /nfs/dbraw/zinc/46/35/48/1103463548.db2.gz OSANWEIFHPBZDX-QGZVFWFLSA-N 2 2 358.448 4.159 20 0 FIADLP c1cc(C2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cs1 ZINC000551736868 1103579492 /nfs/dbraw/zinc/57/94/92/1103579492.db2.gz RNZGUGNXRFEZAL-JOCHJYFZSA-N 2 2 370.562 4.219 20 0 FIADLP c1cc(C2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cs1 ZINC000551736868 1103579508 /nfs/dbraw/zinc/57/95/08/1103579508.db2.gz RNZGUGNXRFEZAL-JOCHJYFZSA-N 2 2 370.562 4.219 20 0 FIADLP C[C@@H](Cc1ccccc1F)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000188047306 1103808292 /nfs/dbraw/zinc/80/82/92/1103808292.db2.gz NMFZWHPXQDWGPK-OALUTQOASA-N 2 2 370.512 4.246 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000537763524 1103920974 /nfs/dbraw/zinc/92/09/74/1103920974.db2.gz KMWNGHONKAJAPZ-XMSQKQJNSA-N 2 2 367.512 4.044 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000537763524 1103920978 /nfs/dbraw/zinc/92/09/78/1103920978.db2.gz KMWNGHONKAJAPZ-XMSQKQJNSA-N 2 2 367.512 4.044 20 0 FIADLP COC(=O)c1oc([C@@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1C ZINC000441319380 1104274094 /nfs/dbraw/zinc/27/40/94/1104274094.db2.gz UUMNAZTZAJNGGW-QZTJIDSGSA-N 2 2 362.514 4.024 20 0 FIADLP COC(=O)c1oc([C@@H](C)[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1C ZINC000441319380 1104274102 /nfs/dbraw/zinc/27/41/02/1104274102.db2.gz UUMNAZTZAJNGGW-QZTJIDSGSA-N 2 2 362.514 4.024 20 0 FIADLP Clc1ccc(Cl)c(OCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000441444339 1104731463 /nfs/dbraw/zinc/73/14/63/1104731463.db2.gz GSIZIVNXPOWXSE-OAHLLOKOSA-N 2 2 357.325 4.180 20 0 FIADLP Clc1ccc(Cl)c(OCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000441444339 1104731476 /nfs/dbraw/zinc/73/14/76/1104731476.db2.gz GSIZIVNXPOWXSE-OAHLLOKOSA-N 2 2 357.325 4.180 20 0 FIADLP Brc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)s1 ZINC000190575916 1104935824 /nfs/dbraw/zinc/93/58/24/1104935824.db2.gz PJRQBDRFYFYSBD-MRXNPFEDSA-N 2 2 355.345 4.178 20 0 FIADLP COc1c2ccccc2oc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000474013296 1105181963 /nfs/dbraw/zinc/18/19/63/1105181963.db2.gz ATBNWCXHKCHSBW-UHFFFAOYSA-N 2 2 350.462 4.196 20 0 FIADLP Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@H]3CCn4cc[nH+]c4C3)cc2)c1 ZINC000427880024 1105300246 /nfs/dbraw/zinc/30/02/46/1105300246.db2.gz DQFNZVAGFIKRNI-NQIIRXRSSA-N 2 2 361.489 4.436 20 0 FIADLP Fc1cccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccc(Cl)c2)c1 ZINC000427881150 1105308919 /nfs/dbraw/zinc/30/89/19/1105308919.db2.gz XYPMSXWJJIIYKK-AZUAARDMSA-N 2 2 355.844 4.370 20 0 FIADLP Fc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cnc3ccccc3c2)cc1 ZINC000427880916 1105308968 /nfs/dbraw/zinc/30/89/68/1105308968.db2.gz XHXUPIGWYKBQDA-NZQKXSOJSA-N 2 2 372.447 4.264 20 0 FIADLP FC(F)c1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390655224 1106737772 /nfs/dbraw/zinc/73/77/72/1106737772.db2.gz OLOYVEMOGOYVLX-HXUWFJFHSA-N 2 2 360.448 4.005 20 0 FIADLP FC(F)c1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390655224 1106737782 /nfs/dbraw/zinc/73/77/82/1106737782.db2.gz OLOYVEMOGOYVLX-HXUWFJFHSA-N 2 2 360.448 4.005 20 0 FIADLP COCCCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000475356427 1106753282 /nfs/dbraw/zinc/75/32/82/1106753282.db2.gz SZXYXCDZQMYPSU-OAQYLSRUSA-N 2 2 353.510 4.198 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000450867576 1106766886 /nfs/dbraw/zinc/76/68/86/1106766886.db2.gz HFCLRXAVJCSQRB-UHFFFAOYSA-N 2 2 356.441 4.035 20 0 FIADLP Cc1nc2c(s1)C[N@H+](C1C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001168064688 1106874143 /nfs/dbraw/zinc/87/41/43/1106874143.db2.gz RIQASTGCZXFDCW-HOTGVXAUSA-N 2 2 355.551 4.251 20 0 FIADLP Cc1nc2c(s1)C[N@@H+](C1C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001168064688 1106874164 /nfs/dbraw/zinc/87/41/64/1106874164.db2.gz RIQASTGCZXFDCW-HOTGVXAUSA-N 2 2 355.551 4.251 20 0 FIADLP C[NH+](C)[C@H](CNc1cc[nH+]c2c(Br)cccc12)c1ccco1 ZINC000301166540 1106951977 /nfs/dbraw/zinc/95/19/77/1106951977.db2.gz HWVQKQWEINARGJ-OAHLLOKOSA-N 2 2 360.255 4.305 20 0 FIADLP FC(F)(F)c1cccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccccn2)c1 ZINC000451385171 1107061327 /nfs/dbraw/zinc/06/13/27/1107061327.db2.gz RHBOJQCJJNSKFL-UHFFFAOYSA-N 2 2 374.410 4.389 20 0 FIADLP FC(F)(F)c1cccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccn2)c1 ZINC000451385171 1107061342 /nfs/dbraw/zinc/06/13/42/1107061342.db2.gz RHBOJQCJJNSKFL-UHFFFAOYSA-N 2 2 374.410 4.389 20 0 FIADLP Cc1ccc(N2CCC(Nc3cc(C)[nH+]c4ccc(F)cc34)CC2)[nH+]c1 ZINC000301680790 1107108157 /nfs/dbraw/zinc/10/81/57/1107108157.db2.gz RTLLTAWWZFYHEZ-UHFFFAOYSA-N 2 2 350.441 4.467 20 0 FIADLP CCCc1nc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000428365926 1107967997 /nfs/dbraw/zinc/96/79/97/1107967997.db2.gz WGIOAOJTRPLWLT-RTWAWAEBSA-N 2 2 367.537 4.422 20 0 FIADLP CCCc1nc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000428365926 1107968000 /nfs/dbraw/zinc/96/80/00/1107968000.db2.gz WGIOAOJTRPLWLT-RTWAWAEBSA-N 2 2 367.537 4.422 20 0 FIADLP CCCc1nc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000428365926 1107968007 /nfs/dbraw/zinc/96/80/07/1107968007.db2.gz WGIOAOJTRPLWLT-RTWAWAEBSA-N 2 2 367.537 4.422 20 0 FIADLP CCCc1nc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000428365926 1107968009 /nfs/dbraw/zinc/96/80/09/1107968009.db2.gz WGIOAOJTRPLWLT-RTWAWAEBSA-N 2 2 367.537 4.422 20 0 FIADLP COc1ccc(OCCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000531695237 1108073750 /nfs/dbraw/zinc/07/37/50/1108073750.db2.gz RRTWZAQJILEQPS-KRWDZBQOSA-N 2 2 351.450 4.001 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C)CCC2 ZINC000531733118 1108103772 /nfs/dbraw/zinc/10/37/72/1108103772.db2.gz LABYILYDZXOXJC-HOCLYGCPSA-N 2 2 374.916 4.038 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ncc(-c2ccccc2)n1C ZINC000453125209 1108193536 /nfs/dbraw/zinc/19/35/36/1108193536.db2.gz PELFISKDEAHHFU-MRXNPFEDSA-N 2 2 366.484 4.139 20 0 FIADLP COc1cccc2c1CC[C@H]2[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000453241193 1108318213 /nfs/dbraw/zinc/31/82/13/1108318213.db2.gz VSDZLSCHAWYZHW-GOSISDBHSA-N 2 2 353.853 4.311 20 0 FIADLP CCC[C@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)C(C)(C)C ZINC000453328971 1108385993 /nfs/dbraw/zinc/38/59/93/1108385993.db2.gz QDDVKQZPZCNBKZ-NRFANRHFSA-N 2 2 359.558 4.414 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C3CC3)C3CCCC3)CC2)cc1 ZINC000453337697 1108430485 /nfs/dbraw/zinc/43/04/85/1108430485.db2.gz ZSYFOJXTDQVKHA-QHCPKHFHSA-N 2 2 369.553 4.168 20 0 FIADLP c1nc(C2CC2)oc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453366416 1108482632 /nfs/dbraw/zinc/48/26/32/1108482632.db2.gz RSFPVRPQIZZBQZ-QHAWAJNXSA-N 2 2 351.494 4.085 20 0 FIADLP c1nc(C2CC2)oc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453366416 1108482647 /nfs/dbraw/zinc/48/26/47/1108482647.db2.gz RSFPVRPQIZZBQZ-QHAWAJNXSA-N 2 2 351.494 4.085 20 0 FIADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)o1 ZINC000532210912 1108713053 /nfs/dbraw/zinc/71/30/53/1108713053.db2.gz DHMPQOFENDTCAJ-HRAATJIYSA-N 2 2 356.485 4.339 20 0 FIADLP COc1cc2c(cc1C[NH2+][C@@H](C)c1cccc(-n3cc[nH+]c3)c1)O[C@H](C)C2 ZINC000525194830 1109303869 /nfs/dbraw/zinc/30/38/69/1109303869.db2.gz CJQPXYBYLFCEQK-CVEARBPZSA-N 2 2 363.461 4.055 20 0 FIADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(Br)cc1Cl ZINC000446743117 1109326144 /nfs/dbraw/zinc/32/61/44/1109326144.db2.gz TWGJPJSHTQVNNK-ABAIWWIYSA-N 2 2 356.695 4.428 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(Br)cc1F)CCC2 ZINC000446823065 1109350233 /nfs/dbraw/zinc/35/02/33/1109350233.db2.gz IHDCRQMKYPESNU-CHWSQXEVSA-N 2 2 366.278 4.321 20 0 FIADLP CC[N@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)[C@H](C)Cc1ccsc1 ZINC000428468201 1109433672 /nfs/dbraw/zinc/43/36/72/1109433672.db2.gz NAFMGPLSHNYSDA-OAHLLOKOSA-N 2 2 363.596 4.424 20 0 FIADLP CC[N@@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)[C@H](C)Cc1ccsc1 ZINC000428468201 1109433675 /nfs/dbraw/zinc/43/36/75/1109433675.db2.gz NAFMGPLSHNYSDA-OAHLLOKOSA-N 2 2 363.596 4.424 20 0 FIADLP CC[NH+](Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)[C@H](C)Cc1ccsc1 ZINC000428468201 1109433677 /nfs/dbraw/zinc/43/36/77/1109433677.db2.gz NAFMGPLSHNYSDA-OAHLLOKOSA-N 2 2 363.596 4.424 20 0 FIADLP CC[NH+](Cc1nc2c(s1)C[N@H+](C(C)C)CC2)[C@H](C)Cc1ccsc1 ZINC000428468201 1109433680 /nfs/dbraw/zinc/43/36/80/1109433680.db2.gz NAFMGPLSHNYSDA-OAHLLOKOSA-N 2 2 363.596 4.424 20 0 FIADLP CCCCCOc1cc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)ccc1OC ZINC000525696351 1109480930 /nfs/dbraw/zinc/48/09/30/1109480930.db2.gz IILBGPVXNKOYAJ-IBGZPJMESA-N 2 2 371.525 4.436 20 0 FIADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)CCC2 ZINC000447563016 1109583079 /nfs/dbraw/zinc/58/30/79/1109583079.db2.gz NLZNBGHFRCBCFT-INIZCTEOSA-N 2 2 371.481 4.019 20 0 FIADLP Cc1ccc(-c2nc(C[NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cs2)o1 ZINC000544421646 1109782622 /nfs/dbraw/zinc/78/26/22/1109782622.db2.gz NDCVVINHRSWLJO-CVEARBPZSA-N 2 2 359.539 4.454 20 0 FIADLP Cc1ccc(-c2nc(C[NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cs2)o1 ZINC000544421646 1109782624 /nfs/dbraw/zinc/78/26/24/1109782624.db2.gz NDCVVINHRSWLJO-CVEARBPZSA-N 2 2 359.539 4.454 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527640992 1109792750 /nfs/dbraw/zinc/79/27/50/1109792750.db2.gz JEFBIWFIQAOMJG-UHFFFAOYSA-N 2 2 361.274 4.080 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527898896 1109853745 /nfs/dbraw/zinc/85/37/45/1109853745.db2.gz WWOMRTVWVFANDG-PZJWPPBQSA-N 2 2 374.532 4.260 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527898896 1109853753 /nfs/dbraw/zinc/85/37/53/1109853753.db2.gz WWOMRTVWVFANDG-PZJWPPBQSA-N 2 2 374.532 4.260 20 0 FIADLP C[C@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1cc(F)cc(F)c1 ZINC000449014885 1109954395 /nfs/dbraw/zinc/95/43/95/1109954395.db2.gz AKAFNUQDDBNVHX-QGZVFWFLSA-N 2 2 373.491 4.102 20 0 FIADLP C[C@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1cc(F)cc(F)c1 ZINC000449014885 1109954397 /nfs/dbraw/zinc/95/43/97/1109954397.db2.gz AKAFNUQDDBNVHX-QGZVFWFLSA-N 2 2 373.491 4.102 20 0 FIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449035130 1109961215 /nfs/dbraw/zinc/96/12/15/1109961215.db2.gz FRJWCTJFBSDOLZ-MRXNPFEDSA-N 2 2 359.514 4.113 20 0 FIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449035130 1109961217 /nfs/dbraw/zinc/96/12/17/1109961217.db2.gz FRJWCTJFBSDOLZ-MRXNPFEDSA-N 2 2 359.514 4.113 20 0 FIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449035130 1109961222 /nfs/dbraw/zinc/96/12/22/1109961222.db2.gz FRJWCTJFBSDOLZ-MRXNPFEDSA-N 2 2 359.514 4.113 20 0 FIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449035130 1109961231 /nfs/dbraw/zinc/96/12/31/1109961231.db2.gz FRJWCTJFBSDOLZ-MRXNPFEDSA-N 2 2 359.514 4.113 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC[N@@H+]1C ZINC000449025240 1109964676 /nfs/dbraw/zinc/96/46/76/1109964676.db2.gz AWRKGINOTAPCKW-QWHCGFSZSA-N 2 2 351.466 4.003 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC[N@H+]1C ZINC000449025240 1109964678 /nfs/dbraw/zinc/96/46/78/1109964678.db2.gz AWRKGINOTAPCKW-QWHCGFSZSA-N 2 2 351.466 4.003 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC[NH+]1C ZINC000449025240 1109964680 /nfs/dbraw/zinc/96/46/80/1109964680.db2.gz AWRKGINOTAPCKW-QWHCGFSZSA-N 2 2 351.466 4.003 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC[NH+]1C ZINC000449025240 1109964683 /nfs/dbraw/zinc/96/46/83/1109964683.db2.gz AWRKGINOTAPCKW-QWHCGFSZSA-N 2 2 351.466 4.003 20 0 FIADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC2 ZINC000449074962 1109973365 /nfs/dbraw/zinc/97/33/65/1109973365.db2.gz QGFIWSTVNXEWHL-QGZVFWFLSA-N 2 2 357.379 4.126 20 0 FIADLP c1cn(Cc2ccccc2C[NH2+]C2CCC(OC3CCCC3)CC2)c[nH+]1 ZINC000449074481 1109973529 /nfs/dbraw/zinc/97/35/29/1109973529.db2.gz PFNBPEXZXZHKEG-UHFFFAOYSA-N 2 2 353.510 4.291 20 0 FIADLP c1nc(CCc2ccccc2)sc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000449190854 1109991259 /nfs/dbraw/zinc/99/12/59/1109991259.db2.gz WTKLFWXLWHRPGR-UHFFFAOYSA-N 2 2 369.578 4.425 20 0 FIADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449283810 1110015463 /nfs/dbraw/zinc/01/54/63/1110015463.db2.gz MRXOXINDMURBTH-CYBMUJFWSA-N 2 2 351.466 4.004 20 0 FIADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449283810 1110015468 /nfs/dbraw/zinc/01/54/68/1110015468.db2.gz MRXOXINDMURBTH-CYBMUJFWSA-N 2 2 351.466 4.004 20 0 FIADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)n2)CC1 ZINC000449402835 1110058404 /nfs/dbraw/zinc/05/84/04/1110058404.db2.gz SXAVVSBVBIEDSO-RHSMWYFYSA-N 2 2 355.448 4.233 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000449403832 1110059690 /nfs/dbraw/zinc/05/96/90/1110059690.db2.gz YAIHBBRBBMGHDO-WBVHZDCISA-N 2 2 363.427 4.243 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)n2)CC[N@H+]1Cc1ccccc1 ZINC000449403832 1110059695 /nfs/dbraw/zinc/05/96/95/1110059695.db2.gz YAIHBBRBBMGHDO-WBVHZDCISA-N 2 2 363.427 4.243 20 0 FIADLP COc1ccc(C(C)(C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1F ZINC000528678323 1110074363 /nfs/dbraw/zinc/07/43/63/1110074363.db2.gz LMJWPLGKAMHBCJ-UHFFFAOYSA-N 2 2 353.441 4.353 20 0 FIADLP CCC1CCC([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)CC1 ZINC000449520487 1110097680 /nfs/dbraw/zinc/09/76/80/1110097680.db2.gz DZDGAWYDIGXFJW-UHFFFAOYSA-N 2 2 357.542 4.168 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3Cl)CC2)cc1 ZINC000449520084 1110098305 /nfs/dbraw/zinc/09/83/05/1110098305.db2.gz FBZODOWRMGSMNM-UHFFFAOYSA-N 2 2 371.912 4.053 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H](C4CC4)C3)CC2)cc1 ZINC000449523003 1110098757 /nfs/dbraw/zinc/09/87/57/1110098757.db2.gz KJMVREKNQBQNBY-OFNKIYASSA-N 2 2 369.553 4.168 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000449525737 1110099318 /nfs/dbraw/zinc/09/93/18/1110099318.db2.gz UHQVYQNIMIYYCE-PNCHPQGNSA-N 2 2 371.569 4.414 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)CCCC(C)C)CC2)cc1 ZINC000449525693 1110099438 /nfs/dbraw/zinc/09/94/38/1110099438.db2.gz TXRKIYIHXSCCMP-GOSISDBHSA-N 2 2 359.558 4.414 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)CC3CCCC3)CC2)cc1 ZINC000449525215 1110099486 /nfs/dbraw/zinc/09/94/86/1110099486.db2.gz QTLIUWMGLWHLOF-KRWDZBQOSA-N 2 2 357.542 4.168 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000449526042 1110100089 /nfs/dbraw/zinc/10/00/89/1110100089.db2.gz VCCRJRDMZJAXBS-IRXDYDNUSA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000449526041 1110100147 /nfs/dbraw/zinc/10/01/47/1110100147.db2.gz VCCRJRDMZJAXBS-IAGOWNOFSA-N 2 2 357.542 4.024 20 0 FIADLP CCCc1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000449613320 1110123806 /nfs/dbraw/zinc/12/38/06/1110123806.db2.gz ROICRQDFBIBIAR-SESVDKBCSA-N 2 2 353.510 4.017 20 0 FIADLP CCCc1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000449613320 1110123810 /nfs/dbraw/zinc/12/38/10/1110123810.db2.gz ROICRQDFBIBIAR-SESVDKBCSA-N 2 2 353.510 4.017 20 0 FIADLP CCCc1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000449613319 1110123910 /nfs/dbraw/zinc/12/39/10/1110123910.db2.gz ROICRQDFBIBIAR-HMXCVIKNSA-N 2 2 353.510 4.017 20 0 FIADLP CCCc1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000449613319 1110123912 /nfs/dbraw/zinc/12/39/12/1110123912.db2.gz ROICRQDFBIBIAR-HMXCVIKNSA-N 2 2 353.510 4.017 20 0 FIADLP CC[N@H+](CCCC(=O)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000450450140 1110299842 /nfs/dbraw/zinc/29/98/42/1110299842.db2.gz CAEKOXUJKPTETK-UHFFFAOYSA-N 2 2 365.521 4.283 20 0 FIADLP CC[N@@H+](CCCC(=O)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000450450140 1110299844 /nfs/dbraw/zinc/29/98/44/1110299844.db2.gz CAEKOXUJKPTETK-UHFFFAOYSA-N 2 2 365.521 4.283 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1C[C@H](OCc3ccccc3)C1(C)C)CCC2 ZINC000538510108 1111174113 /nfs/dbraw/zinc/17/41/13/1111174113.db2.gz MMZXZLLQBKFSQX-UFYCRDLUSA-N 2 2 353.510 4.042 20 0 FIADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cnc2ccsc2c1 ZINC000538559689 1111193775 /nfs/dbraw/zinc/19/37/75/1111193775.db2.gz IYTKJCCEWFQTBU-WMLDXEAASA-N 2 2 367.522 4.005 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000538559714 1111193890 /nfs/dbraw/zinc/19/38/90/1111193890.db2.gz KMMUWAAHTUKWLX-GHTZIAJQSA-N 2 2 350.510 4.004 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000538559714 1111193891 /nfs/dbraw/zinc/19/38/91/1111193891.db2.gz KMMUWAAHTUKWLX-GHTZIAJQSA-N 2 2 350.510 4.004 20 0 FIADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1 ZINC000538732713 1111269073 /nfs/dbraw/zinc/26/90/73/1111269073.db2.gz LNNGSNIHJLNJNN-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1 ZINC000538732713 1111269078 /nfs/dbraw/zinc/26/90/78/1111269078.db2.gz LNNGSNIHJLNJNN-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1 ZINC000538732713 1111269079 /nfs/dbraw/zinc/26/90/79/1111269079.db2.gz LNNGSNIHJLNJNN-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1 ZINC000538732713 1111269084 /nfs/dbraw/zinc/26/90/84/1111269084.db2.gz LNNGSNIHJLNJNN-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000538799918 1111296991 /nfs/dbraw/zinc/29/69/91/1111296991.db2.gz FASNWHJRZXILEJ-CZUORRHYSA-N 2 2 369.372 4.087 20 0 FIADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000538799918 1111296993 /nfs/dbraw/zinc/29/69/93/1111296993.db2.gz FASNWHJRZXILEJ-CZUORRHYSA-N 2 2 369.372 4.087 20 0 FIADLP CSc1cc(Br)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000538799918 1111296998 /nfs/dbraw/zinc/29/69/98/1111296998.db2.gz FASNWHJRZXILEJ-CZUORRHYSA-N 2 2 369.372 4.087 20 0 FIADLP CSc1cc(Br)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000538799918 1111297002 /nfs/dbraw/zinc/29/70/02/1111297002.db2.gz FASNWHJRZXILEJ-CZUORRHYSA-N 2 2 369.372 4.087 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cccc(OC)c1 ZINC000539051645 1111400180 /nfs/dbraw/zinc/40/01/80/1111400180.db2.gz AELFTVWOLOKFLO-VGSWGCGISA-N 2 2 353.510 4.357 20 0 FIADLP Cc1ccc([C@H]2OCCC[C@H]2[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544172206 1111439539 /nfs/dbraw/zinc/43/95/39/1111439539.db2.gz WQGYUZWZVOVRAH-WOJBJXKFSA-N 2 2 353.491 4.252 20 0 FIADLP Brc1ccc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)cc1 ZINC000552743746 1111795195 /nfs/dbraw/zinc/79/51/95/1111795195.db2.gz KWZXXBPLBQGQQY-LJQANCHMSA-N 2 2 374.326 4.265 20 0 FIADLP C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000479368143 1112001969 /nfs/dbraw/zinc/00/19/69/1112001969.db2.gz YEKUWRGMSZIQCO-ZIAGYGMSSA-N 2 2 371.282 4.442 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCCc4ccccc43)C2)CC1 ZINC000479489734 1112051548 /nfs/dbraw/zinc/05/15/48/1112051548.db2.gz KDRUGQDCQWCTTG-FAFZWHIHSA-N 2 2 352.444 4.459 20 0 FIADLP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479509168 1112054343 /nfs/dbraw/zinc/05/43/43/1112054343.db2.gz BDXQCTWHVKLLLE-JRSKDTKFSA-N 2 2 367.306 4.182 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000554374847 1112325935 /nfs/dbraw/zinc/32/59/35/1112325935.db2.gz BIPKZHYSQLDHPQ-ZHRRBRCNSA-N 2 2 366.484 4.273 20 0 FIADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000480243205 1112341005 /nfs/dbraw/zinc/34/10/05/1112341005.db2.gz DQOFOSJGMRMDOE-OAHLLOKOSA-N 2 2 355.551 4.320 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)[C@@H](C)C1 ZINC000667666320 1112398795 /nfs/dbraw/zinc/39/87/95/1112398795.db2.gz JHKCFIRQPKPMQT-JXFKEZNVSA-N 2 2 357.473 4.175 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)[C@@H](C)C1 ZINC000667666320 1112398803 /nfs/dbraw/zinc/39/88/03/1112398803.db2.gz JHKCFIRQPKPMQT-JXFKEZNVSA-N 2 2 357.473 4.175 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)[C@@H](C)C1 ZINC000667666320 1112398808 /nfs/dbraw/zinc/39/88/08/1112398808.db2.gz JHKCFIRQPKPMQT-JXFKEZNVSA-N 2 2 357.473 4.175 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)[C@@H](C)C1 ZINC000667666320 1112398813 /nfs/dbraw/zinc/39/88/13/1112398813.db2.gz JHKCFIRQPKPMQT-JXFKEZNVSA-N 2 2 357.473 4.175 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3ccccc3F)nc2)C[C@@H]1C ZINC000480557395 1112477118 /nfs/dbraw/zinc/47/71/18/1112477118.db2.gz RYKUMGGRFPCYOU-FXAWDEMLSA-N 2 2 371.500 4.104 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3ccccc3F)nc2)C[C@@H]1C ZINC000480557395 1112477119 /nfs/dbraw/zinc/47/71/19/1112477119.db2.gz RYKUMGGRFPCYOU-FXAWDEMLSA-N 2 2 371.500 4.104 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCc3ccccc3F)nc2)C[C@@H]1C ZINC000480557395 1112477122 /nfs/dbraw/zinc/47/71/22/1112477122.db2.gz RYKUMGGRFPCYOU-FXAWDEMLSA-N 2 2 371.500 4.104 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3ccccc3F)nc2)C[C@@H]1C ZINC000480557395 1112477124 /nfs/dbraw/zinc/47/71/24/1112477124.db2.gz RYKUMGGRFPCYOU-FXAWDEMLSA-N 2 2 371.500 4.104 20 0 FIADLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000480665509 1112544180 /nfs/dbraw/zinc/54/41/80/1112544180.db2.gz XVIVOPKMOXPATM-FQEVSTJZSA-N 2 2 374.532 4.394 20 0 FIADLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000480665509 1112544182 /nfs/dbraw/zinc/54/41/82/1112544182.db2.gz XVIVOPKMOXPATM-FQEVSTJZSA-N 2 2 374.532 4.394 20 0 FIADLP CO[C@H](C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000555014692 1112622984 /nfs/dbraw/zinc/62/29/84/1112622984.db2.gz KGRNZOPZEJIRCI-WWPVKYPJSA-N 2 2 352.522 4.359 20 0 FIADLP CO[C@H](C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000555014692 1112622987 /nfs/dbraw/zinc/62/29/87/1112622987.db2.gz KGRNZOPZEJIRCI-WWPVKYPJSA-N 2 2 352.522 4.359 20 0 FIADLP CO[C@H](C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000555014692 1112622989 /nfs/dbraw/zinc/62/29/89/1112622989.db2.gz KGRNZOPZEJIRCI-WWPVKYPJSA-N 2 2 352.522 4.359 20 0 FIADLP CO[C@H](C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000555014692 1112622993 /nfs/dbraw/zinc/62/29/93/1112622993.db2.gz KGRNZOPZEJIRCI-WWPVKYPJSA-N 2 2 352.522 4.359 20 0 FIADLP CCCOc1ccc(Oc2ncccc2C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000481325624 1112901118 /nfs/dbraw/zinc/90/11/18/1112901118.db2.gz VSHHBXLZRORYOK-DYESRHJHSA-N 2 2 369.509 4.093 20 0 FIADLP CCCOc1ccc(Oc2ncccc2C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000481325624 1112901119 /nfs/dbraw/zinc/90/11/19/1112901119.db2.gz VSHHBXLZRORYOK-DYESRHJHSA-N 2 2 369.509 4.093 20 0 FIADLP FC(F)(F)Oc1ccc2c(N[C@H]3CCN(c4cccc[nH+]4)C3)cc[nH+]c2c1 ZINC000899874280 1113036944 /nfs/dbraw/zinc/03/69/44/1113036944.db2.gz RJOVGHDLOJCQGV-ZDUSSCGKSA-N 2 2 374.366 4.219 20 0 FIADLP COc1cc(OC)c([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1Cl ZINC000162908472 1113219295 /nfs/dbraw/zinc/21/92/95/1113219295.db2.gz SNSNDLVFQDEZFY-AWEZNQCLSA-N 2 2 363.889 4.295 20 0 FIADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000482642649 1113318192 /nfs/dbraw/zinc/31/81/92/1113318192.db2.gz NOJHXPJMEQCPRS-DOMZBBRYSA-N 2 2 372.456 4.007 20 0 FIADLP COc1ccc2oc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cc2c1 ZINC000482721640 1113343306 /nfs/dbraw/zinc/34/33/06/1113343306.db2.gz GQXBCVMODXHZEW-JTSKRJEESA-N 2 2 364.489 4.442 20 0 FIADLP COc1ccc2oc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cc2c1 ZINC000482721640 1113343312 /nfs/dbraw/zinc/34/33/12/1113343312.db2.gz GQXBCVMODXHZEW-JTSKRJEESA-N 2 2 364.489 4.442 20 0 FIADLP C[N@H+](Cc1ccc(Oc2ccc(F)cc2)nc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000668147110 1113388373 /nfs/dbraw/zinc/38/83/73/1113388373.db2.gz ZYCQASCUVHYICV-DFNIBXOVSA-N 2 2 355.457 4.070 20 0 FIADLP C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)nc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000668147110 1113388376 /nfs/dbraw/zinc/38/83/76/1113388376.db2.gz ZYCQASCUVHYICV-DFNIBXOVSA-N 2 2 355.457 4.070 20 0 FIADLP C[NH+](Cc1ccc(Oc2ccc(F)cc2)nc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000668147110 1113388379 /nfs/dbraw/zinc/38/83/79/1113388379.db2.gz ZYCQASCUVHYICV-DFNIBXOVSA-N 2 2 355.457 4.070 20 0 FIADLP C[NH+](Cc1ccc(Oc2ccc(F)cc2)nc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000668147110 1113388380 /nfs/dbraw/zinc/38/83/80/1113388380.db2.gz ZYCQASCUVHYICV-DFNIBXOVSA-N 2 2 355.457 4.070 20 0 FIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000483130338 1113449016 /nfs/dbraw/zinc/44/90/16/1113449016.db2.gz NSLWNNISZUWJTM-KHYOSLBOSA-N 2 2 356.913 4.267 20 0 FIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000483130338 1113449019 /nfs/dbraw/zinc/44/90/19/1113449019.db2.gz NSLWNNISZUWJTM-KHYOSLBOSA-N 2 2 356.913 4.267 20 0 FIADLP Cc1cccc(OCCC[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)c1C ZINC000486786379 1113644140 /nfs/dbraw/zinc/64/41/40/1113644140.db2.gz HETRNULMTREAEJ-UHFFFAOYSA-N 2 2 373.566 4.085 20 0 FIADLP Cc1cccc(OCCC[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1C ZINC000486786379 1113644143 /nfs/dbraw/zinc/64/41/43/1113644143.db2.gz HETRNULMTREAEJ-UHFFFAOYSA-N 2 2 373.566 4.085 20 0 FIADLP Brc1ccc([C@@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168371845 1113668809 /nfs/dbraw/zinc/66/88/09/1113668809.db2.gz JIRJJRGSNCLZTK-IBGZPJMESA-N 2 2 363.343 4.460 20 0 FIADLP Brc1ccc([C@@H]2CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168371845 1113668812 /nfs/dbraw/zinc/66/88/12/1113668812.db2.gz JIRJJRGSNCLZTK-IBGZPJMESA-N 2 2 363.343 4.460 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(Br)c(F)c1)CCC2 ZINC000489541694 1114130001 /nfs/dbraw/zinc/13/00/01/1114130001.db2.gz BVBLFHWAMIVHOQ-TZMCWYRMSA-N 2 2 366.278 4.321 20 0 FIADLP CC(C)CCc1noc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000489630762 1114147417 /nfs/dbraw/zinc/14/74/17/1114147417.db2.gz ADTKTAHJIBFUJX-UHFFFAOYSA-N 2 2 370.541 4.002 20 0 FIADLP CC(C)CCc1noc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000489630762 1114147420 /nfs/dbraw/zinc/14/74/20/1114147420.db2.gz ADTKTAHJIBFUJX-UHFFFAOYSA-N 2 2 370.541 4.002 20 0 FIADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591083087 1115018394 /nfs/dbraw/zinc/01/83/94/1115018394.db2.gz NSXBUKNYSFHESK-YADHBBJMSA-N 2 2 374.488 4.208 20 0 FIADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591083087 1115018397 /nfs/dbraw/zinc/01/83/97/1115018397.db2.gz NSXBUKNYSFHESK-YADHBBJMSA-N 2 2 374.488 4.208 20 0 FIADLP c1cn(CCCC2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)c[nH+]1 ZINC000573366088 1115094187 /nfs/dbraw/zinc/09/41/87/1115094187.db2.gz IEYHDCZDWVSYHU-UHFFFAOYSA-N 2 2 353.510 4.364 20 0 FIADLP COc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc(C)s2)cc1C[NH+]1CCCCC1 ZINC000760881109 1115121103 /nfs/dbraw/zinc/12/11/03/1115121103.db2.gz OPZAXUQUFQHKDH-HUUCEWRRSA-N 2 2 374.554 4.253 20 0 FIADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2cccc3[nH]ccc32)CCOCC1)c1ccccc1 ZINC000606913162 1115983099 /nfs/dbraw/zinc/98/30/99/1115983099.db2.gz IFBSLIBIURQESN-GOSISDBHSA-N 2 2 363.505 4.158 20 0 FIADLP C[C@@H](Nc1cc[nH+]c2cc(F)ccc12)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607356436 1116022365 /nfs/dbraw/zinc/02/23/65/1116022365.db2.gz MBKONJAIROZKLV-OPAMFIHVSA-N 2 2 365.452 4.075 20 0 FIADLP C[C@@H](Nc1cc[nH+]c2cc(F)ccc12)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607356436 1116022368 /nfs/dbraw/zinc/02/23/68/1116022368.db2.gz MBKONJAIROZKLV-OPAMFIHVSA-N 2 2 365.452 4.075 20 0 FIADLP c1ccc(NC2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)CC2)[nH+]c1 ZINC000534128325 1116162770 /nfs/dbraw/zinc/16/27/70/1116162770.db2.gz MQLVVEGLFXHVIV-UHFFFAOYSA-N 2 2 374.488 4.132 20 0 FIADLP COc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1Cl ZINC000539658066 1116360551 /nfs/dbraw/zinc/36/05/51/1116360551.db2.gz MVRJNYLBPTUDAI-RHSMWYFYSA-N 2 2 374.916 4.057 20 0 FIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000325877193 1116382018 /nfs/dbraw/zinc/38/20/18/1116382018.db2.gz NCEWYSQXKCHHAQ-JTQLQIEISA-N 2 2 351.294 4.099 20 0 FIADLP C[C@H](CCc1ccsc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000462790241 1117774022 /nfs/dbraw/zinc/77/40/22/1117774022.db2.gz HRSOMILGOGZVGQ-MRXNPFEDSA-N 2 2 358.555 4.107 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000462814217 1117791473 /nfs/dbraw/zinc/79/14/73/1117791473.db2.gz OTXYAAKOSGPASF-QZTJIDSGSA-N 2 2 364.468 4.189 20 0 FIADLP COCCCCc1ccc[nH+]c1N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462830851 1117801564 /nfs/dbraw/zinc/80/15/64/1117801564.db2.gz AYYHTYVUNJKWMP-UGKGYDQZSA-N 2 2 367.537 4.373 20 0 FIADLP COCCCCc1ccc[nH+]c1N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462830851 1117801571 /nfs/dbraw/zinc/80/15/71/1117801571.db2.gz AYYHTYVUNJKWMP-UGKGYDQZSA-N 2 2 367.537 4.373 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000540145516 1117896692 /nfs/dbraw/zinc/89/66/92/1117896692.db2.gz SGGHMVQSKHDHFR-QUCCMNQESA-N 2 2 367.537 4.402 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000540145516 1117896695 /nfs/dbraw/zinc/89/66/95/1117896695.db2.gz SGGHMVQSKHDHFR-QUCCMNQESA-N 2 2 367.537 4.402 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1 ZINC000463120471 1117979030 /nfs/dbraw/zinc/97/90/30/1117979030.db2.gz VYRKYIMYTZSIKZ-ZTCOLXNVSA-N 2 2 365.565 4.240 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1 ZINC000463120471 1117979032 /nfs/dbraw/zinc/97/90/32/1117979032.db2.gz VYRKYIMYTZSIKZ-ZTCOLXNVSA-N 2 2 365.565 4.240 20 0 FIADLP C[NH+](C)[C@@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000463149624 1117992734 /nfs/dbraw/zinc/99/27/34/1117992734.db2.gz VSGQHCFQKZJQEB-QFIPXVFZSA-N 2 2 371.956 4.197 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000540396012 1118039442 /nfs/dbraw/zinc/03/94/42/1118039442.db2.gz DMKGXILISBVVOC-YGOYIFOWSA-N 2 2 363.549 4.176 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000540396012 1118039449 /nfs/dbraw/zinc/03/94/49/1118039449.db2.gz DMKGXILISBVVOC-YGOYIFOWSA-N 2 2 363.549 4.176 20 0 FIADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463271135 1118073288 /nfs/dbraw/zinc/07/32/88/1118073288.db2.gz IQIMKWLGSWCYBD-RCZSKKKRSA-N 2 2 350.506 4.461 20 0 FIADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463271135 1118073293 /nfs/dbraw/zinc/07/32/93/1118073293.db2.gz IQIMKWLGSWCYBD-RCZSKKKRSA-N 2 2 350.506 4.461 20 0 FIADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)o1 ZINC000540510469 1118099123 /nfs/dbraw/zinc/09/91/23/1118099123.db2.gz OZESRWCPGLZNJT-KCXPTXFHSA-N 2 2 368.521 4.302 20 0 FIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000540549686 1118122003 /nfs/dbraw/zinc/12/20/03/1118122003.db2.gz SSBACBUEFNYENN-OAHLLOKOSA-N 2 2 373.859 4.433 20 0 FIADLP Cc1ccc([C@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)C2CC2)cc1 ZINC000540757140 1118225000 /nfs/dbraw/zinc/22/50/00/1118225000.db2.gz ZHKBRGBAMNZFPG-IRLDBZIGSA-N 2 2 350.510 4.094 20 0 FIADLP c1cn(CCCC2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)c[nH+]1 ZINC000542132698 1118809682 /nfs/dbraw/zinc/80/96/82/1118809682.db2.gz JSEQICOTLHEKMG-UHFFFAOYSA-N 2 2 361.493 4.033 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccc4c(c3)CCCC4)C2)CC1 ZINC000491389375 1118941441 /nfs/dbraw/zinc/94/14/41/1118941441.db2.gz NNQBARXXZFRBSN-UHFFFAOYSA-N 2 2 366.471 4.460 20 0 FIADLP CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(-n3cc[nH+]c3)cs1)CCC2 ZINC000542464222 1119184345 /nfs/dbraw/zinc/18/43/45/1119184345.db2.gz CJWFJQPPEGPEHN-MRXNPFEDSA-N 2 2 358.536 4.462 20 0 FIADLP CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(-n3cc[nH+]c3)cs1)CCC2 ZINC000542464222 1119184348 /nfs/dbraw/zinc/18/43/48/1119184348.db2.gz CJWFJQPPEGPEHN-MRXNPFEDSA-N 2 2 358.536 4.462 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC[N@@H+]1C ZINC000493224277 1119351945 /nfs/dbraw/zinc/35/19/45/1119351945.db2.gz DCPPSAWUDUMKPZ-XFQXTVEOSA-N 2 2 360.448 4.450 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC[N@H+]1C ZINC000493224277 1119351951 /nfs/dbraw/zinc/35/19/51/1119351951.db2.gz DCPPSAWUDUMKPZ-XFQXTVEOSA-N 2 2 360.448 4.450 20 0 FIADLP CC1(C)C[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc21 ZINC000178206870 1119377814 /nfs/dbraw/zinc/37/78/14/1119377814.db2.gz CUGYMPGWJNYORP-QFIPXVFZSA-N 2 2 350.506 4.031 20 0 FIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccnn1-c1ccccc1 ZINC000467308896 1119385591 /nfs/dbraw/zinc/38/55/91/1119385591.db2.gz SIJPGLVUBYIOGP-IBGZPJMESA-N 2 2 371.488 4.010 20 0 FIADLP COc1ccc([C@@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c2ccccc2)cc1 ZINC000493304180 1119437029 /nfs/dbraw/zinc/43/70/29/1119437029.db2.gz MWWUCOVPKLAKHZ-UNMCSNQZSA-N 2 2 361.489 4.457 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cc(Br)cs1)CCC2 ZINC000493767827 1119494460 /nfs/dbraw/zinc/49/44/60/1119494460.db2.gz NTZZVXBNIZYYRW-RYUDHWBXSA-N 2 2 354.317 4.244 20 0 FIADLP Brc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2ccco2)cc1 ZINC000183662368 1119579061 /nfs/dbraw/zinc/57/90/61/1119579061.db2.gz YILLYJGMTKNLFV-KRWDZBQOSA-N 2 2 360.255 4.008 20 0 FIADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(-c2ccccc2Cl)cs1 ZINC000187309732 1119776692 /nfs/dbraw/zinc/77/66/92/1119776692.db2.gz QDQDZWZVIXLJII-UHFFFAOYSA-N 2 2 360.914 4.491 20 0 FIADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(-c2ccccc2Cl)cs1 ZINC000187309732 1119776697 /nfs/dbraw/zinc/77/66/97/1119776697.db2.gz QDQDZWZVIXLJII-UHFFFAOYSA-N 2 2 360.914 4.491 20 0 FIADLP FC(F)(F)c1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc(C(F)(F)F)c1 ZINC000494401447 1119850527 /nfs/dbraw/zinc/85/05/27/1119850527.db2.gz AUYUBFHRTULUNG-ZDUSSCGKSA-N 2 2 363.305 4.025 20 0 FIADLP Brc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000190910736 1119953654 /nfs/dbraw/zinc/95/36/54/1119953654.db2.gz NOOVIFXWOQWZST-CYBMUJFWSA-N 2 2 369.328 4.105 20 0 FIADLP Brc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000190910736 1119953655 /nfs/dbraw/zinc/95/36/55/1119953655.db2.gz NOOVIFXWOQWZST-CYBMUJFWSA-N 2 2 369.328 4.105 20 0 FIADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cnn1C(C)(C)C ZINC000191103806 1119960953 /nfs/dbraw/zinc/96/09/53/1119960953.db2.gz BNJIEFLTLJSQJL-QGZVFWFLSA-N 2 2 354.542 4.262 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192135449 1120026547 /nfs/dbraw/zinc/02/65/47/1120026547.db2.gz CDKHPZUQNYKQHC-NHCUHLMSSA-N 2 2 369.415 4.079 20 0 FIADLP COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1OC ZINC000192157241 1120032126 /nfs/dbraw/zinc/03/21/26/1120032126.db2.gz QHYZDSPKIGTRIT-HNNXBMFYSA-N 2 2 369.440 4.188 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000192154603 1120032564 /nfs/dbraw/zinc/03/25/64/1120032564.db2.gz XFBYFTCXZCIILA-SFHVURJKSA-N 2 2 374.488 4.158 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000192160300 1120033212 /nfs/dbraw/zinc/03/32/12/1120033212.db2.gz WTJBTGGZOLJRKC-GOSISDBHSA-N 2 2 357.461 4.217 20 0 FIADLP COCC[NH+]1CCC([NH2+]Cc2c(Cl)cccc2SC(C)C)CC1 ZINC000192515056 1120065268 /nfs/dbraw/zinc/06/52/68/1120065268.db2.gz UOOWSJNKXCURPR-UHFFFAOYSA-N 2 2 356.963 4.041 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc2c(s1)CCCC2 ZINC000195134110 1120120713 /nfs/dbraw/zinc/12/07/13/1120120713.db2.gz JIXWVXXTDUCYEH-FUHWJXTLSA-N 2 2 355.551 4.195 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2c(s1)CCCC2 ZINC000195134110 1120120716 /nfs/dbraw/zinc/12/07/16/1120120716.db2.gz JIXWVXXTDUCYEH-FUHWJXTLSA-N 2 2 355.551 4.195 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495002318 1120419689 /nfs/dbraw/zinc/41/96/89/1120419689.db2.gz XVBXEXAQWSTLBJ-YESZJQIVSA-N 2 2 354.498 4.130 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495002318 1120419693 /nfs/dbraw/zinc/41/96/93/1120419693.db2.gz XVBXEXAQWSTLBJ-YESZJQIVSA-N 2 2 354.498 4.130 20 0 FIADLP FC(F)(F)c1cccc(OCCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495021509 1120437127 /nfs/dbraw/zinc/43/71/27/1120437127.db2.gz WDDYWNJZALCBTG-AWEZNQCLSA-N 2 2 353.388 4.077 20 0 FIADLP FC(F)(F)c1cccc(OCCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495021509 1120437130 /nfs/dbraw/zinc/43/71/30/1120437130.db2.gz WDDYWNJZALCBTG-AWEZNQCLSA-N 2 2 353.388 4.077 20 0 FIADLP FC(F)(F)c1cccc(OCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000302967889 1120719141 /nfs/dbraw/zinc/71/91/41/1120719141.db2.gz RMRFJUVEMFNQBL-UHFFFAOYSA-N 2 2 361.367 4.060 20 0 FIADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2cccc3cc[nH]c32)CCOCC1)c1ccccc1 ZINC000237413751 1120977425 /nfs/dbraw/zinc/97/74/25/1120977425.db2.gz FJZGDEOWDWRYIH-GOSISDBHSA-N 2 2 363.505 4.158 20 0 FIADLP C[C@H]([NH2+]C1(C[NH2+]Cc2cccc3cc[nH]c32)CCOCC1)c1ccccc1 ZINC000237535418 1120979250 /nfs/dbraw/zinc/97/92/50/1120979250.db2.gz FJZGDEOWDWRYIH-SFHVURJKSA-N 2 2 363.505 4.158 20 0 FIADLP c1cn(-c2ccc(-c3noc([C@H]4CC[C@H](c5ccccc5)[NH2+]C4)n3)cc2)c[nH+]1 ZINC001212207290 1120979515 /nfs/dbraw/zinc/97/95/15/1120979515.db2.gz FTTIOBNPPCVPDR-AZUAARDMSA-N 2 2 371.444 4.131 20 0 FIADLP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001168501225 1121103415 /nfs/dbraw/zinc/10/34/15/1121103415.db2.gz QDWJBTBCZZMKMM-KRWDZBQOSA-N 2 2 358.476 4.492 20 0 FIADLP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001168501225 1121103419 /nfs/dbraw/zinc/10/34/19/1121103419.db2.gz QDWJBTBCZZMKMM-KRWDZBQOSA-N 2 2 358.476 4.492 20 0 FIADLP C[C@H](Cc1cccc(F)c1)[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001168501367 1121111659 /nfs/dbraw/zinc/11/16/59/1121111659.db2.gz NWDOEFSRCWKFDP-QGZVFWFLSA-N 2 2 358.476 4.492 20 0 FIADLP C[C@H](Cc1cccc(F)c1)[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001168501367 1121111663 /nfs/dbraw/zinc/11/16/63/1121111663.db2.gz NWDOEFSRCWKFDP-QGZVFWFLSA-N 2 2 358.476 4.492 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc2c(c1)OC(F)(F)O2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000671685771 1121174489 /nfs/dbraw/zinc/17/44/89/1121174489.db2.gz OZMCMHWPLQSSLY-CYBMUJFWSA-N 2 2 357.360 4.045 20 0 FIADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000915879988 1121306989 /nfs/dbraw/zinc/30/69/89/1121306989.db2.gz AHPJLZRSJODVNK-WMZHIEFXSA-N 2 2 352.522 4.443 20 0 FIADLP CCOc1cccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1OC(F)F ZINC000060978617 1121503722 /nfs/dbraw/zinc/50/37/22/1121503722.db2.gz DMGYMXIIAKUNRS-IYBDPMFKSA-N 2 2 370.484 4.144 20 0 FIADLP CCOc1cccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1OC(F)F ZINC000060978617 1121503728 /nfs/dbraw/zinc/50/37/28/1121503728.db2.gz DMGYMXIIAKUNRS-IYBDPMFKSA-N 2 2 370.484 4.144 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282259744 1121545297 /nfs/dbraw/zinc/54/52/97/1121545297.db2.gz BVADOLMXVLUZMH-GOSISDBHSA-N 2 2 369.557 4.167 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282259744 1121545302 /nfs/dbraw/zinc/54/53/02/1121545302.db2.gz BVADOLMXVLUZMH-GOSISDBHSA-N 2 2 369.557 4.167 20 0 FIADLP Brc1cccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000123733688 1121626857 /nfs/dbraw/zinc/62/68/57/1121626857.db2.gz GISQVNBLTLNAIQ-UHFFFAOYSA-N 2 2 368.278 4.414 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)ccc2OCc2cccnc2)CC[N@@H+]1C ZINC000123894269 1121643422 /nfs/dbraw/zinc/64/34/22/1121643422.db2.gz FINTWGMLGYILPV-UZLBHIALSA-N 2 2 373.928 4.229 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)ccc2OCc2cccnc2)CC[N@H+]1C ZINC000123894269 1121643425 /nfs/dbraw/zinc/64/34/25/1121643425.db2.gz FINTWGMLGYILPV-UZLBHIALSA-N 2 2 373.928 4.229 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OCc2cccnc2)CC[NH+]1C ZINC000123894269 1121643431 /nfs/dbraw/zinc/64/34/31/1121643431.db2.gz FINTWGMLGYILPV-UZLBHIALSA-N 2 2 373.928 4.229 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OCc2cccnc2)CC[NH+]1C ZINC000123894269 1121643434 /nfs/dbraw/zinc/64/34/34/1121643434.db2.gz FINTWGMLGYILPV-UZLBHIALSA-N 2 2 373.928 4.229 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000125934314 1121873990 /nfs/dbraw/zinc/87/39/90/1121873990.db2.gz UDEHUGLGVOUBEN-REWPJTCUSA-N 2 2 363.549 4.394 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000125934314 1121874001 /nfs/dbraw/zinc/87/40/01/1121874001.db2.gz UDEHUGLGVOUBEN-REWPJTCUSA-N 2 2 363.549 4.394 20 0 FIADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000497383365 1122192806 /nfs/dbraw/zinc/19/28/06/1122192806.db2.gz FXYVVYXOBCNZGI-HNNXBMFYSA-N 2 2 363.427 4.290 20 0 FIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](CCOC)c1ccccc1 ZINC000497848132 1122436899 /nfs/dbraw/zinc/43/68/99/1122436899.db2.gz MEBBIESLYSCRBZ-QFIPXVFZSA-N 2 2 367.537 4.398 20 0 FIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](CCOC)c1ccccc1 ZINC000497848132 1122436910 /nfs/dbraw/zinc/43/69/10/1122436910.db2.gz MEBBIESLYSCRBZ-QFIPXVFZSA-N 2 2 367.537 4.398 20 0 FIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000556236576 1122753716 /nfs/dbraw/zinc/75/37/16/1122753716.db2.gz RUPAHAVFBVZGGA-PKTZIBPZSA-N 2 2 368.521 4.069 20 0 FIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000556236576 1122753722 /nfs/dbraw/zinc/75/37/22/1122753722.db2.gz RUPAHAVFBVZGGA-PKTZIBPZSA-N 2 2 368.521 4.069 20 0 FIADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(F)cn1 ZINC000498768507 1123000812 /nfs/dbraw/zinc/00/08/12/1123000812.db2.gz PDMNDEFUAPYGRP-KKSFZXQISA-N 2 2 356.489 4.128 20 0 FIADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cc(F)ccc1F ZINC000132154611 1123224119 /nfs/dbraw/zinc/22/41/19/1123224119.db2.gz XVIOZUGLWATXID-FQEVSTJZSA-N 2 2 355.432 4.493 20 0 FIADLP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CCCO2 ZINC000132320714 1123242986 /nfs/dbraw/zinc/24/29/86/1123242986.db2.gz OTKQARMWRAUUJJ-JOCHJYFZSA-N 2 2 366.505 4.163 20 0 FIADLP Cc1c(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)sc2nc(C)nc(C)c12 ZINC000920182148 1123398786 /nfs/dbraw/zinc/39/87/86/1123398786.db2.gz HLULTVUGZZTPBQ-UHFFFAOYSA-N 2 2 363.490 4.092 20 0 FIADLP c1ccc(Oc2cccnc2)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075836263 1123525655 /nfs/dbraw/zinc/52/56/55/1123525655.db2.gz CLZBPCWCIPWWHN-LJQANCHMSA-N 2 2 351.494 4.182 20 0 FIADLP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075836263 1123525657 /nfs/dbraw/zinc/52/56/57/1123525657.db2.gz CLZBPCWCIPWWHN-LJQANCHMSA-N 2 2 351.494 4.182 20 0 FIADLP Clc1ccc2[nH]cc(CC[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)c2c1 ZINC000237802162 1123658179 /nfs/dbraw/zinc/65/81/79/1123658179.db2.gz UNXGLBPFCXERIN-UHFFFAOYSA-N 2 2 350.853 4.339 20 0 FIADLP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000134947064 1123698964 /nfs/dbraw/zinc/69/89/64/1123698964.db2.gz VKXFBLYMBIKMQA-QUCCMNQESA-N 2 2 351.494 4.099 20 0 FIADLP Cc1ccc(-c2cnc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000134947064 1123698982 /nfs/dbraw/zinc/69/89/82/1123698982.db2.gz VKXFBLYMBIKMQA-QUCCMNQESA-N 2 2 351.494 4.099 20 0 FIADLP Cc1ccc(-c2cnc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000134947064 1123698983 /nfs/dbraw/zinc/69/89/83/1123698983.db2.gz VKXFBLYMBIKMQA-QUCCMNQESA-N 2 2 351.494 4.099 20 0 FIADLP Cc1ccc(-c2cnc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000134947064 1123698984 /nfs/dbraw/zinc/69/89/84/1123698984.db2.gz VKXFBLYMBIKMQA-QUCCMNQESA-N 2 2 351.494 4.099 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)CC[N@@H+]1C ZINC000180684893 1124403161 /nfs/dbraw/zinc/40/31/61/1124403161.db2.gz MAUXBKMVHCGRAW-FHZYATBESA-N 2 2 350.506 4.173 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)CC[N@H+]1C ZINC000180684893 1124403164 /nfs/dbraw/zinc/40/31/64/1124403164.db2.gz MAUXBKMVHCGRAW-FHZYATBESA-N 2 2 350.506 4.173 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc(Br)ccc1O ZINC000181013706 1124506124 /nfs/dbraw/zinc/50/61/24/1124506124.db2.gz DKQIJCRIAPOTTM-CYBMUJFWSA-N 2 2 372.266 4.191 20 0 FIADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Oc1cccc(Cl)c1 ZINC000246478661 1124511955 /nfs/dbraw/zinc/51/19/55/1124511955.db2.gz RBTGLUJZJINXKD-CBGDNZLLSA-N 2 2 373.928 4.003 20 0 FIADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Oc1cccc(Cl)c1 ZINC000246478661 1124511962 /nfs/dbraw/zinc/51/19/62/1124511962.db2.gz RBTGLUJZJINXKD-CBGDNZLLSA-N 2 2 373.928 4.003 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000247071830 1124587430 /nfs/dbraw/zinc/58/74/30/1124587430.db2.gz QESUSVWSTDKSFW-YADARESESA-N 2 2 359.517 4.278 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000247071830 1124587434 /nfs/dbraw/zinc/58/74/34/1124587434.db2.gz QESUSVWSTDKSFW-YADARESESA-N 2 2 359.517 4.278 20 0 FIADLP COc1ccc([C@H](C)CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247980252 1124735879 /nfs/dbraw/zinc/73/58/79/1124735879.db2.gz IGLUJGUADHXANF-DNVFCKCGSA-N 2 2 367.537 4.084 20 0 FIADLP COc1ccc([C@H](C)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247980252 1124735888 /nfs/dbraw/zinc/73/58/88/1124735888.db2.gz IGLUJGUADHXANF-DNVFCKCGSA-N 2 2 367.537 4.084 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(Cl)c1F ZINC000248401105 1124761602 /nfs/dbraw/zinc/76/16/02/1124761602.db2.gz ROXKUHIGFIZBFD-IPMKNSEASA-N 2 2 368.924 4.288 20 0 FIADLP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000249153581 1124848119 /nfs/dbraw/zinc/84/81/19/1124848119.db2.gz VQVKAEKXGQFYID-XUZZJYLKSA-N 2 2 357.501 4.283 20 0 FIADLP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000249153581 1124848125 /nfs/dbraw/zinc/84/81/25/1124848125.db2.gz VQVKAEKXGQFYID-XUZZJYLKSA-N 2 2 357.501 4.283 20 0 FIADLP CSCc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000921920166 1124982116 /nfs/dbraw/zinc/98/21/16/1124982116.db2.gz HGMSTTIWLUETEH-KRWDZBQOSA-N 2 2 355.551 4.260 20 0 FIADLP C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090657222 1125011721 /nfs/dbraw/zinc/01/17/21/1125011721.db2.gz OOMDPBSWBNEWJP-PGRDOPGGSA-N 2 2 363.505 4.325 20 0 FIADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H](C)c3ccncc3)CC1)CCCO2 ZINC000090667850 1125013601 /nfs/dbraw/zinc/01/36/01/1125013601.db2.gz HIGGEWLXSRLCOB-PGRDOPGGSA-N 2 2 365.521 4.419 20 0 FIADLP CCOc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1OC(F)F ZINC000093564140 1125439811 /nfs/dbraw/zinc/43/98/11/1125439811.db2.gz RAZFLYJGNKQDJQ-QGZVFWFLSA-N 2 2 368.468 4.137 20 0 FIADLP CCOc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1OC(F)F ZINC000093564140 1125439814 /nfs/dbraw/zinc/43/98/14/1125439814.db2.gz RAZFLYJGNKQDJQ-QGZVFWFLSA-N 2 2 368.468 4.137 20 0 FIADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC1 ZINC000516649519 568064175 /nfs/dbraw/zinc/06/41/75/568064175.db2.gz QELMHIUNZBDZNS-SHTZXODSSA-N 2 2 373.884 4.022 20 0 FIADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000603512429 568110951 /nfs/dbraw/zinc/11/09/51/568110951.db2.gz OJEVGKJCLFDYDD-GFCCVEGCSA-N 2 2 357.445 4.259 20 0 FIADLP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccsc1 ZINC000563119845 568224598 /nfs/dbraw/zinc/22/45/98/568224598.db2.gz JPUMPQLUMXKNFC-LEWJYISDSA-N 2 2 369.578 4.138 20 0 FIADLP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccsc1 ZINC000563119845 568224599 /nfs/dbraw/zinc/22/45/99/568224599.db2.gz JPUMPQLUMXKNFC-LEWJYISDSA-N 2 2 369.578 4.138 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000604771512 568363220 /nfs/dbraw/zinc/36/32/20/568363220.db2.gz CGYYVQPDHLSIBA-IFXJQAMLSA-N 2 2 364.320 4.389 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000604771512 568363221 /nfs/dbraw/zinc/36/32/21/568363221.db2.gz CGYYVQPDHLSIBA-IFXJQAMLSA-N 2 2 364.320 4.389 20 0 FIADLP Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000604881743 568383802 /nfs/dbraw/zinc/38/38/02/568383802.db2.gz VKHDMXBMRXZIHQ-KGLIPLIRSA-N 2 2 365.399 4.481 20 0 FIADLP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000604881743 568383803 /nfs/dbraw/zinc/38/38/03/568383803.db2.gz VKHDMXBMRXZIHQ-KGLIPLIRSA-N 2 2 365.399 4.481 20 0 FIADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2cccc(C4CC4)[nH+]2)CC3)cs1 ZINC001164701474 719816478 /nfs/dbraw/zinc/81/64/78/719816478.db2.gz PIMXZKVYYJRXGW-UHFFFAOYSA-N 2 2 368.550 4.359 20 0 FIADLP Cc1nc(C[N@H+]2CCCC23CCN(c2cccc(C4CC4)[nH+]2)CC3)cs1 ZINC001164701474 719816481 /nfs/dbraw/zinc/81/64/81/719816481.db2.gz PIMXZKVYYJRXGW-UHFFFAOYSA-N 2 2 368.550 4.359 20 0 FIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644487 1125471752 /nfs/dbraw/zinc/47/17/52/1125471752.db2.gz FDQZYYPDBVUZPC-DNVCBOLYSA-N 2 2 374.960 4.116 20 0 FIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644487 1125471753 /nfs/dbraw/zinc/47/17/53/1125471753.db2.gz FDQZYYPDBVUZPC-DNVCBOLYSA-N 2 2 374.960 4.116 20 0 FIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644487 1125471754 /nfs/dbraw/zinc/47/17/54/1125471754.db2.gz FDQZYYPDBVUZPC-DNVCBOLYSA-N 2 2 374.960 4.116 20 0 FIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644487 1125471755 /nfs/dbraw/zinc/47/17/55/1125471755.db2.gz FDQZYYPDBVUZPC-DNVCBOLYSA-N 2 2 374.960 4.116 20 0 FIADLP C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000620123822 1125778625 /nfs/dbraw/zinc/77/86/25/1125778625.db2.gz VLGWTSMWDMNOPN-HNNXBMFYSA-N 2 2 370.294 4.356 20 0 FIADLP C[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000153357123 1125779937 /nfs/dbraw/zinc/77/99/37/1125779937.db2.gz QYVDOJBCAFDBGZ-KRWDZBQOSA-N 2 2 362.477 4.440 20 0 FIADLP CCC(=O)C(C)(C)C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001208915844 1080259453 /nfs/dbraw/zinc/25/94/53/1080259453.db2.gz ACGDBMYBWDFLEY-UHFFFAOYSA-N 2 2 359.901 4.016 20 0 FIADLP Fc1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2cccs2)cc1 ZINC000655682394 1081110352 /nfs/dbraw/zinc/11/03/52/1081110352.db2.gz DKPSCQINQKESGJ-FPOVZHCZSA-N 2 2 374.525 4.210 20 0 FIADLP Clc1cccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000655703852 1081125467 /nfs/dbraw/zinc/12/54/67/1081125467.db2.gz WOTKILZHUVGMTI-YADHBBJMSA-N 2 2 370.924 4.272 20 0 FIADLP CC(C)Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000655704795 1081126595 /nfs/dbraw/zinc/12/65/95/1081126595.db2.gz KWXIVKIPYQKALZ-GOTSBHOMSA-N 2 2 356.554 4.179 20 0 FIADLP C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655702225 1081127606 /nfs/dbraw/zinc/12/76/06/1081127606.db2.gz ZXJGSTJOBUPEAK-NTKDMRAZSA-N 2 2 364.533 4.128 20 0 FIADLP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655708489 1081133345 /nfs/dbraw/zinc/13/33/45/1081133345.db2.gz QSXQFYLTRMSZJJ-MOPGFXCFSA-N 2 2 370.459 4.390 20 0 FIADLP CC(C)C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655715848 1081136159 /nfs/dbraw/zinc/13/61/59/1081136159.db2.gz ORNQNZNWXSKFCJ-WOJBJXKFSA-N 2 2 350.934 4.270 20 0 FIADLP CCOc1ccccc1[C@H](CC(C)C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655719397 1081138028 /nfs/dbraw/zinc/13/80/28/1081138028.db2.gz SOMGNARIBPRPCI-CTNGQTDRSA-N 2 2 360.542 4.015 20 0 FIADLP Cc1cccc(C([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2cccc(C)c2)c1 ZINC000655721548 1081139386 /nfs/dbraw/zinc/13/93/86/1081139386.db2.gz PFDVNISHFQYVAW-QHCPKHFHSA-N 2 2 364.533 4.236 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000655736155 1081153026 /nfs/dbraw/zinc/15/30/26/1081153026.db2.gz MYPVDQJHQJKUDU-HXOBKFHXSA-N 2 2 368.496 4.397 20 0 FIADLP Cc1csc(CCCC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)n1 ZINC000160686206 1082218343 /nfs/dbraw/zinc/21/83/43/1082218343.db2.gz GKHBKIKMJRXOGT-UHFFFAOYSA-N 2 2 372.582 4.099 20 0 FIADLP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254355 1082238566 /nfs/dbraw/zinc/23/85/66/1082238566.db2.gz CIOWEBBWLYSESF-INIZCTEOSA-N 2 2 371.916 4.272 20 0 FIADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(F)cn1 ZINC000558241367 1082390407 /nfs/dbraw/zinc/39/04/07/1082390407.db2.gz NGHVENHVHRILSP-CKFHNAJUSA-N 2 2 363.502 4.025 20 0 FIADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(F)cn1 ZINC000558241367 1082390411 /nfs/dbraw/zinc/39/04/11/1082390411.db2.gz NGHVENHVHRILSP-CKFHNAJUSA-N 2 2 363.502 4.025 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(-c2ccccc2)no1 ZINC000548159706 1082479013 /nfs/dbraw/zinc/47/90/13/1082479013.db2.gz JRHZFZDXUPTIHO-XMSQKQJNSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(-c2ccccc2)no1 ZINC000548159706 1082479017 /nfs/dbraw/zinc/47/90/17/1082479017.db2.gz JRHZFZDXUPTIHO-XMSQKQJNSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(-c2ccccc2)no1 ZINC000548159704 1082479542 /nfs/dbraw/zinc/47/95/42/1082479542.db2.gz JRHZFZDXUPTIHO-PGRDOPGGSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(-c2ccccc2)no1 ZINC000548159704 1082479555 /nfs/dbraw/zinc/47/95/55/1082479555.db2.gz JRHZFZDXUPTIHO-PGRDOPGGSA-N 2 2 361.489 4.342 20 0 FIADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000430563349 1082481125 /nfs/dbraw/zinc/48/11/25/1082481125.db2.gz IQTWMMUEPZUZCV-UZKOGDIHSA-N 2 2 365.521 4.042 20 0 FIADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000430563349 1082481128 /nfs/dbraw/zinc/48/11/28/1082481128.db2.gz IQTWMMUEPZUZCV-UZKOGDIHSA-N 2 2 365.521 4.042 20 0 FIADLP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(OC2CCCC2)c1 ZINC000581542605 1082652535 /nfs/dbraw/zinc/65/25/35/1082652535.db2.gz TUCSKVBYQZXGCY-NHCUHLMSSA-N 2 2 352.478 4.251 20 0 FIADLP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000647167610 1082705036 /nfs/dbraw/zinc/70/50/36/1082705036.db2.gz MFKWNLMDOZINFY-VQTJNVASSA-N 2 2 369.578 4.138 20 0 FIADLP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000647167610 1082705039 /nfs/dbraw/zinc/70/50/39/1082705039.db2.gz MFKWNLMDOZINFY-VQTJNVASSA-N 2 2 369.578 4.138 20 0 FIADLP C[NH+](C)[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000647167610 1082705044 /nfs/dbraw/zinc/70/50/44/1082705044.db2.gz MFKWNLMDOZINFY-VQTJNVASSA-N 2 2 369.578 4.138 20 0 FIADLP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000647167610 1082705048 /nfs/dbraw/zinc/70/50/48/1082705048.db2.gz MFKWNLMDOZINFY-VQTJNVASSA-N 2 2 369.578 4.138 20 0 FIADLP C[C@@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000430747819 1083147531 /nfs/dbraw/zinc/14/75/31/1083147531.db2.gz AIFZKDLQJXEWQI-GFCCVEGCSA-N 2 2 370.390 4.034 20 0 FIADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000510665655 1083227741 /nfs/dbraw/zinc/22/77/41/1083227741.db2.gz CJXRAUGUIGTKFK-HUUCEWRRSA-N 2 2 361.480 4.385 20 0 FIADLP Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC000612122533 1083393307 /nfs/dbraw/zinc/39/33/07/1083393307.db2.gz USMDWDZZSHZVJE-OAHLLOKOSA-N 2 2 368.868 4.123 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(-c2ccccc2)s1 ZINC000658293060 1083395561 /nfs/dbraw/zinc/39/55/61/1083395561.db2.gz CPDLTMJZNOMOPV-LPHOPBHVSA-N 2 2 356.535 4.319 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000658293712 1083397450 /nfs/dbraw/zinc/39/74/50/1083397450.db2.gz IXVZJDWOKYGQFJ-QFBILLFUSA-N 2 2 364.489 4.490 20 0 FIADLP C[N@H+](Cc1cc2cc(F)ccc2o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645151 1083461244 /nfs/dbraw/zinc/46/12/44/1083461244.db2.gz CQGWKHBBYRPKAP-UHFFFAOYSA-N 2 2 367.468 4.106 20 0 FIADLP C[N@@H+](Cc1cc2cc(F)ccc2o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645151 1083461247 /nfs/dbraw/zinc/46/12/47/1083461247.db2.gz CQGWKHBBYRPKAP-UHFFFAOYSA-N 2 2 367.468 4.106 20 0 FIADLP c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]C3CCSCC3)C2)cc1 ZINC000510929606 1083479024 /nfs/dbraw/zinc/47/90/24/1083479024.db2.gz DQVYICMHQQXPSI-FCHUYYIVSA-N 2 2 352.547 4.140 20 0 FIADLP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]C3CCSCC3)C2)cc1 ZINC000510929606 1083479028 /nfs/dbraw/zinc/47/90/28/1083479028.db2.gz DQVYICMHQQXPSI-FCHUYYIVSA-N 2 2 352.547 4.140 20 0 FIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001167499188 1084015305 /nfs/dbraw/zinc/01/53/05/1084015305.db2.gz DFZSTYBGWNILCI-SFTDATJTSA-N 2 2 353.485 4.315 20 0 FIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001167499188 1084015319 /nfs/dbraw/zinc/01/53/19/1084015319.db2.gz DFZSTYBGWNILCI-SFTDATJTSA-N 2 2 353.485 4.315 20 0 FIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001167499187 1084016510 /nfs/dbraw/zinc/01/65/10/1084016510.db2.gz DFZSTYBGWNILCI-RTWAWAEBSA-N 2 2 353.485 4.315 20 0 FIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001167499187 1084016520 /nfs/dbraw/zinc/01/65/20/1084016520.db2.gz DFZSTYBGWNILCI-RTWAWAEBSA-N 2 2 353.485 4.315 20 0 FIADLP CCn1nc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c2ccccc21 ZINC000472054820 1084192212 /nfs/dbraw/zinc/19/22/12/1084192212.db2.gz WLIFORNGIUFGQX-KRWDZBQOSA-N 2 2 368.550 4.120 20 0 FIADLP CCn1nc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c2ccccc21 ZINC000472054820 1084192215 /nfs/dbraw/zinc/19/22/15/1084192215.db2.gz WLIFORNGIUFGQX-KRWDZBQOSA-N 2 2 368.550 4.120 20 0 FIADLP Fc1ccc(COc2ccccc2C[NH2+]C2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000657295787 1084288707 /nfs/dbraw/zinc/28/87/07/1084288707.db2.gz YWFWJUSRCHEEFB-UHFFFAOYSA-N 2 2 372.459 4.260 20 0 FIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000657365098 1084746443 /nfs/dbraw/zinc/74/64/43/1084746443.db2.gz FPRSRBKGBKXGPE-KRWDZBQOSA-N 2 2 352.526 4.003 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1 ZINC000892569811 1084869583 /nfs/dbraw/zinc/86/95/83/1084869583.db2.gz CPNFUAQSBFDODP-OAHLLOKOSA-N 2 2 356.539 4.080 20 0 FIADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1 ZINC000892569811 1084869587 /nfs/dbraw/zinc/86/95/87/1084869587.db2.gz CPNFUAQSBFDODP-OAHLLOKOSA-N 2 2 356.539 4.080 20 0 FIADLP CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(C)c1 ZINC000657412290 1084945904 /nfs/dbraw/zinc/94/59/04/1084945904.db2.gz HPTHHKXGBJTBHL-SFHVURJKSA-N 2 2 353.510 4.104 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000657413100 1084947547 /nfs/dbraw/zinc/94/75/47/1084947547.db2.gz SNHWDXFGXMPXFB-MRXNPFEDSA-N 2 2 369.484 4.077 20 0 FIADLP CCC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC)c1ccccn1 ZINC000414272537 1084952259 /nfs/dbraw/zinc/95/22/59/1084952259.db2.gz RXLFIBYPTMLFHI-MQSCRBSSSA-N 2 2 367.537 4.050 20 0 FIADLP CCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC)c1ccccn1 ZINC000414272537 1084952262 /nfs/dbraw/zinc/95/22/62/1084952262.db2.gz RXLFIBYPTMLFHI-MQSCRBSSSA-N 2 2 367.537 4.050 20 0 FIADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3nnc(C4CC4)s3)cc2)C1 ZINC000892598397 1084975850 /nfs/dbraw/zinc/97/58/50/1084975850.db2.gz AYIJOPSKTQYWEO-HZPDHXFCSA-N 2 2 370.566 4.183 20 0 FIADLP COCC[N@H+](CC(C)(C)Sc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207295883 1085025234 /nfs/dbraw/zinc/02/52/34/1085025234.db2.gz GUUMWQPLEOGCKS-UHFFFAOYSA-N 2 2 370.990 4.253 20 0 FIADLP COCC[N@@H+](CC(C)(C)Sc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207295883 1085025239 /nfs/dbraw/zinc/02/52/39/1085025239.db2.gz GUUMWQPLEOGCKS-UHFFFAOYSA-N 2 2 370.990 4.253 20 0 FIADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3nc(C(C)C)n4ccccc34)C2)c1 ZINC000651629462 1085260290 /nfs/dbraw/zinc/26/02/90/1085260290.db2.gz XAXJBLXKAUTUBY-SFHVURJKSA-N 2 2 363.509 4.095 20 0 FIADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3nc(C(C)C)n4ccccc34)C2)c1 ZINC000651629462 1085260304 /nfs/dbraw/zinc/26/03/04/1085260304.db2.gz XAXJBLXKAUTUBY-SFHVURJKSA-N 2 2 363.509 4.095 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473122883 1085690191 /nfs/dbraw/zinc/69/01/91/1085690191.db2.gz NFUMRIOMCKWMEP-UHFFFAOYSA-N 2 2 366.415 4.143 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473122883 1085690194 /nfs/dbraw/zinc/69/01/94/1085690194.db2.gz NFUMRIOMCKWMEP-UHFFFAOYSA-N 2 2 366.415 4.143 20 0 FIADLP Cc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1Br ZINC000091469525 1085817180 /nfs/dbraw/zinc/81/71/80/1085817180.db2.gz XTAHPJBHINXWLE-INIZCTEOSA-N 2 2 350.304 4.159 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652353469 1085935731 /nfs/dbraw/zinc/93/57/31/1085935731.db2.gz LGVQNMACBYADJN-YLJYHZDGSA-N 2 2 359.558 4.321 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652353469 1085935739 /nfs/dbraw/zinc/93/57/39/1085935739.db2.gz LGVQNMACBYADJN-YLJYHZDGSA-N 2 2 359.558 4.321 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000582934419 1085937725 /nfs/dbraw/zinc/93/77/25/1085937725.db2.gz OERJIRRWGZSTNI-ZDUSSCGKSA-N 2 2 369.456 4.477 20 0 FIADLP C[C@@H]([NH2+]Cc1cscc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511913430 1085958725 /nfs/dbraw/zinc/95/87/25/1085958725.db2.gz ZQUGDWRAKPJNCE-OLZOCXBDSA-N 2 2 357.361 4.253 20 0 FIADLP C[C@@H]([NH2+]Cc1cscc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511913430 1085958728 /nfs/dbraw/zinc/95/87/28/1085958728.db2.gz ZQUGDWRAKPJNCE-OLZOCXBDSA-N 2 2 357.361 4.253 20 0 FIADLP Cc1cc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc(C2CC2)[nH+]1 ZINC000431510271 1085976223 /nfs/dbraw/zinc/97/62/23/1085976223.db2.gz YDOSQCJXBJCZLD-UHFFFAOYSA-N 2 2 362.521 4.155 20 0 FIADLP c1cn2c(n1)[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CCc1ccccc1-2 ZINC000663349831 1086449414 /nfs/dbraw/zinc/44/94/14/1086449414.db2.gz OTOODPFENLPYGN-QFIPXVFZSA-N 2 2 372.516 4.114 20 0 FIADLP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278891469 1086538281 /nfs/dbraw/zinc/53/82/81/1086538281.db2.gz OGFOANKQJPGMTJ-HNNXBMFYSA-N 2 2 356.514 4.446 20 0 FIADLP COc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)ccc1SC ZINC000126444016 1086622611 /nfs/dbraw/zinc/62/26/11/1086622611.db2.gz MURPBUCWNWPJJN-CQSZACIVSA-N 2 2 368.506 4.157 20 0 FIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143449086 1086665197 /nfs/dbraw/zinc/66/51/97/1086665197.db2.gz VRMUEJZADLHEAD-CQSZACIVSA-N 2 2 370.346 4.081 20 0 FIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143449086 1086665201 /nfs/dbraw/zinc/66/52/01/1086665201.db2.gz VRMUEJZADLHEAD-CQSZACIVSA-N 2 2 370.346 4.081 20 0 FIADLP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000583459784 1086705524 /nfs/dbraw/zinc/70/55/24/1086705524.db2.gz USRCKDZXJXIWOP-LJQANCHMSA-N 2 2 366.509 4.089 20 0 FIADLP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000583459784 1086705536 /nfs/dbraw/zinc/70/55/36/1086705536.db2.gz USRCKDZXJXIWOP-LJQANCHMSA-N 2 2 366.509 4.089 20 0 FIADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)C)C1 ZINC000236825856 1086711348 /nfs/dbraw/zinc/71/13/48/1086711348.db2.gz YMERYABXQNDNHO-MRXNPFEDSA-N 2 2 360.933 4.081 20 0 FIADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)C)C1 ZINC000236825856 1086711354 /nfs/dbraw/zinc/71/13/54/1086711354.db2.gz YMERYABXQNDNHO-MRXNPFEDSA-N 2 2 360.933 4.081 20 0 FIADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)c(F)c1)CCCO2 ZINC000098172987 1086740552 /nfs/dbraw/zinc/74/05/52/1086740552.db2.gz UEWIVXQAEZTPEZ-SFHVURJKSA-N 2 2 355.388 4.154 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(COc3ccccc3)cc2)s1 ZINC000512113379 1086782127 /nfs/dbraw/zinc/78/21/27/1086782127.db2.gz IQTZTVMGWTUEPI-UHFFFAOYSA-N 2 2 367.518 4.074 20 0 FIADLP c1ccc(C[N@H+]2C[C@@H](C[NH2+]Cc3nc4c(s3)CCC4)C3(CCC3)C2)cc1 ZINC000657772462 1086810788 /nfs/dbraw/zinc/81/07/88/1086810788.db2.gz NIVBBSKPRIISOM-GOSISDBHSA-N 2 2 367.562 4.024 20 0 FIADLP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]Cc3nc4c(s3)CCC4)C3(CCC3)C2)cc1 ZINC000657772462 1086810805 /nfs/dbraw/zinc/81/08/05/1086810805.db2.gz NIVBBSKPRIISOM-GOSISDBHSA-N 2 2 367.562 4.024 20 0 FIADLP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000657846572 1087292297 /nfs/dbraw/zinc/29/22/97/1087292297.db2.gz ZXFRVCYBTXZQHT-QGZVFWFLSA-N 2 2 350.304 4.037 20 0 FIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)C(C)(C)C(F)F)CCOCC1)c1ccccc1 ZINC000657888416 1087545243 /nfs/dbraw/zinc/54/52/43/1087545243.db2.gz LYMIWDZEPHFVOE-CVEARBPZSA-N 2 2 354.485 4.156 20 0 FIADLP C[N@@H+](Cc1ncccc1C(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336766 1087598258 /nfs/dbraw/zinc/59/82/58/1087598258.db2.gz ARGSAQSQFPPDOK-QGZVFWFLSA-N 2 2 363.427 4.054 20 0 FIADLP C[N@H+](Cc1ncccc1C(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336766 1087598262 /nfs/dbraw/zinc/59/82/62/1087598262.db2.gz ARGSAQSQFPPDOK-QGZVFWFLSA-N 2 2 363.427 4.054 20 0 FIADLP C[NH+](Cc1ncccc1C(F)(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336766 1087598265 /nfs/dbraw/zinc/59/82/65/1087598265.db2.gz ARGSAQSQFPPDOK-QGZVFWFLSA-N 2 2 363.427 4.054 20 0 FIADLP C[NH+](Cc1ncccc1C(F)(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336766 1087598268 /nfs/dbraw/zinc/59/82/68/1087598268.db2.gz ARGSAQSQFPPDOK-QGZVFWFLSA-N 2 2 363.427 4.054 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(C(F)F)nc1 ZINC000657933975 1087660870 /nfs/dbraw/zinc/66/08/70/1087660870.db2.gz ZKXSKXFFJSVHHJ-CABCVRRESA-N 2 2 360.452 4.290 20 0 FIADLP CC(C)[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(F)cc(Br)c1 ZINC000657979238 1087689431 /nfs/dbraw/zinc/68/94/31/1087689431.db2.gz HQXXDUHEOHQCFF-DOTOQJQBSA-N 2 2 366.278 4.086 20 0 FIADLP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1)C1CC1 ZINC000504611062 1087743577 /nfs/dbraw/zinc/74/35/77/1087743577.db2.gz FDKNYCGMPSKQHX-UHFFFAOYSA-N 2 2 360.461 4.313 20 0 FIADLP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1)C1CC1 ZINC000504611062 1087743585 /nfs/dbraw/zinc/74/35/85/1087743585.db2.gz FDKNYCGMPSKQHX-UHFFFAOYSA-N 2 2 360.461 4.313 20 0 FIADLP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000892633064 1087959043 /nfs/dbraw/zinc/95/90/43/1087959043.db2.gz QZZQGMPISJIMAT-UHFFFAOYSA-N 2 2 367.559 4.448 20 0 FIADLP COCCC[NH+]1CCC([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134372179 1087999982 /nfs/dbraw/zinc/99/99/82/1087999982.db2.gz AEXOUOOWTGQPER-KRWDZBQOSA-N 2 2 357.325 4.071 20 0 FIADLP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000423363027 1088167447 /nfs/dbraw/zinc/16/74/47/1088167447.db2.gz IRHRLSJLEDFNDP-JKIFEVAISA-N 2 2 367.262 4.130 20 0 FIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2c[nH]nc2-c2ccccc2F)cc1 ZINC000414821971 1088288805 /nfs/dbraw/zinc/28/88/05/1088288805.db2.gz DCFOOIPEVOEVFP-HXUWFJFHSA-N 2 2 352.457 4.129 20 0 FIADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414843642 1088502579 /nfs/dbraw/zinc/50/25/79/1088502579.db2.gz JWXRMOFSRPIJGA-DYESRHJHSA-N 2 2 367.537 4.379 20 0 FIADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OC(F)(F)F)cc1 ZINC000514085675 1088726220 /nfs/dbraw/zinc/72/62/20/1088726220.db2.gz WNSSQROWFOLTEN-QGZVFWFLSA-N 2 2 367.415 4.401 20 0 FIADLP c1csc(-c2cnc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)o2)c1 ZINC000434686288 1088945949 /nfs/dbraw/zinc/94/59/49/1088945949.db2.gz SIMBQOBUIWTIPD-UHFFFAOYSA-N 2 2 368.506 4.316 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccc4occc4c3)C2)CC1 ZINC000377152462 1089029824 /nfs/dbraw/zinc/02/98/24/1089029824.db2.gz GRVTZSBRYNGMFN-UHFFFAOYSA-N 2 2 352.400 4.328 20 0 FIADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000281664677 1089039062 /nfs/dbraw/zinc/03/90/62/1089039062.db2.gz QJLCVVLXMHBCJR-VFNWGFHPSA-N 2 2 369.484 4.032 20 0 FIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000415063951 1089103974 /nfs/dbraw/zinc/10/39/74/1089103974.db2.gz JIBATGKSCLLMEE-UWJYYQICSA-N 2 2 367.537 4.379 20 0 FIADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282125999 1089137540 /nfs/dbraw/zinc/13/75/40/1089137540.db2.gz RAJFLYOBLTZKOG-JKSUJKDBSA-N 2 2 350.466 4.301 20 0 FIADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282125999 1089137546 /nfs/dbraw/zinc/13/75/46/1089137546.db2.gz RAJFLYOBLTZKOG-JKSUJKDBSA-N 2 2 350.466 4.301 20 0 FIADLP CCCOc1cccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435425645 1089642810 /nfs/dbraw/zinc/64/28/10/1089642810.db2.gz DXNNPTNXCUGBAA-LJQANCHMSA-N 2 2 371.550 4.076 20 0 FIADLP CCCOc1cccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435425645 1089642816 /nfs/dbraw/zinc/64/28/16/1089642816.db2.gz DXNNPTNXCUGBAA-LJQANCHMSA-N 2 2 371.550 4.076 20 0 FIADLP Cc1ncsc1C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC000435446606 1089670590 /nfs/dbraw/zinc/67/05/90/1089670590.db2.gz KWACHVROTQRKMZ-AWEZNQCLSA-N 2 2 369.456 4.082 20 0 FIADLP Cc1ncsc1C[N@H+](Cc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC000435446606 1089670597 /nfs/dbraw/zinc/67/05/97/1089670597.db2.gz KWACHVROTQRKMZ-AWEZNQCLSA-N 2 2 369.456 4.082 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C[C@H]1CCCO1)c1ccc(F)cc1)CCC2 ZINC000377817087 1089837622 /nfs/dbraw/zinc/83/76/22/1089837622.db2.gz PBBIKPDXIDXLEO-SXLOBPIMSA-N 2 2 357.473 4.108 20 0 FIADLP Cn1c[nH+]cc1CCC[N@@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000515178298 1089856362 /nfs/dbraw/zinc/85/63/62/1089856362.db2.gz LLYBXPKOSJCMHI-KRWDZBQOSA-N 2 2 369.456 4.162 20 0 FIADLP Cn1c[nH+]cc1CCC[N@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000515178298 1089856382 /nfs/dbraw/zinc/85/63/82/1089856382.db2.gz LLYBXPKOSJCMHI-KRWDZBQOSA-N 2 2 369.456 4.162 20 0 FIADLP COc1cccc(C([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2cccc(OC)c2)c1 ZINC000893099222 1089893069 /nfs/dbraw/zinc/89/30/69/1089893069.db2.gz IRMHWPCYINEZAR-IHWFROFDSA-N 2 2 366.505 4.008 20 0 FIADLP COc1cccc(C([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cccc(OC)c2)c1 ZINC000893099222 1089893084 /nfs/dbraw/zinc/89/30/84/1089893084.db2.gz IRMHWPCYINEZAR-IHWFROFDSA-N 2 2 366.505 4.008 20 0 FIADLP C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C ZINC000312268573 1090467949 /nfs/dbraw/zinc/46/79/49/1090467949.db2.gz IDNKCCWJQVEJEQ-WZONZLPQSA-N 2 2 362.521 4.136 20 0 FIADLP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C ZINC000312268573 1090467953 /nfs/dbraw/zinc/46/79/53/1090467953.db2.gz IDNKCCWJQVEJEQ-WZONZLPQSA-N 2 2 362.521 4.136 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1c1cccs1 ZINC000417333074 1090822879 /nfs/dbraw/zinc/82/28/79/1090822879.db2.gz PIFYIRAXDAMPRQ-BVOGOJNSSA-N 2 2 370.562 4.121 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1c1cccs1 ZINC000417333074 1090822889 /nfs/dbraw/zinc/82/28/89/1090822889.db2.gz PIFYIRAXDAMPRQ-BVOGOJNSSA-N 2 2 370.562 4.121 20 0 FIADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000893327109 1091001840 /nfs/dbraw/zinc/00/18/40/1091001840.db2.gz FNDQLHILMJCYMS-UHFFFAOYSA-N 2 2 357.445 4.292 20 0 FIADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000893327109 1091001848 /nfs/dbraw/zinc/00/18/48/1091001848.db2.gz FNDQLHILMJCYMS-UHFFFAOYSA-N 2 2 357.445 4.292 20 0 FIADLP Cc1ccccc1C1CC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390529119 1091179476 /nfs/dbraw/zinc/17/94/76/1091179476.db2.gz DHECTRKSVWCYFB-VNXZQDSDSA-N 2 2 364.533 4.122 20 0 FIADLP Cc1ccccc1C1CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390529119 1091179481 /nfs/dbraw/zinc/17/94/81/1091179481.db2.gz DHECTRKSVWCYFB-VNXZQDSDSA-N 2 2 364.533 4.122 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000390581127 1091288479 /nfs/dbraw/zinc/28/84/79/1091288479.db2.gz ICOWCFHTKRHJIX-FXAWDEMLSA-N 2 2 354.494 4.019 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1OC ZINC000390581127 1091288488 /nfs/dbraw/zinc/28/84/88/1091288488.db2.gz ICOWCFHTKRHJIX-FXAWDEMLSA-N 2 2 354.494 4.019 20 0 FIADLP Fc1ccc([C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000390707980 1091420282 /nfs/dbraw/zinc/42/02/82/1091420282.db2.gz VWPBTBPYDAIVDY-GOTSBHOMSA-N 2 2 368.496 4.158 20 0 FIADLP Fc1ccc([C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000390707980 1091420287 /nfs/dbraw/zinc/42/02/87/1091420287.db2.gz VWPBTBPYDAIVDY-GOTSBHOMSA-N 2 2 368.496 4.158 20 0 FIADLP COc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1F ZINC000500561227 1092233131 /nfs/dbraw/zinc/23/31/31/1092233131.db2.gz FKENYYUSUADPEG-IYARVYRRSA-N 2 2 351.425 4.056 20 0 FIADLP COc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OCc1ccccc1 ZINC000432797141 1092396250 /nfs/dbraw/zinc/39/62/50/1092396250.db2.gz CXIKNTXTUXKLTI-NRFANRHFSA-N 2 2 368.521 4.190 20 0 FIADLP COc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OCc1ccccc1 ZINC000432797141 1092396265 /nfs/dbraw/zinc/39/62/65/1092396265.db2.gz CXIKNTXTUXKLTI-NRFANRHFSA-N 2 2 368.521 4.190 20 0 FIADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000521016651 1092425327 /nfs/dbraw/zinc/42/53/27/1092425327.db2.gz QGBCDIFIFFXLHY-PKOBYXMFSA-N 2 2 371.500 4.182 20 0 FIADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000521016651 1092425332 /nfs/dbraw/zinc/42/53/32/1092425332.db2.gz QGBCDIFIFFXLHY-PKOBYXMFSA-N 2 2 371.500 4.182 20 0 FIADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)o1 ZINC000237570603 1092511365 /nfs/dbraw/zinc/51/13/65/1092511365.db2.gz PLSYEMBLULVYGF-KKSFZXQISA-N 2 2 353.510 4.228 20 0 FIADLP COC(=O)c1cc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)oc1C ZINC000432841088 1092588333 /nfs/dbraw/zinc/58/83/33/1092588333.db2.gz SMKXLDQPZZPHAF-KBPBESRZSA-N 2 2 367.449 4.281 20 0 FIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)c(C)c1 ZINC000442822788 1092777929 /nfs/dbraw/zinc/77/79/29/1092777929.db2.gz XSWQTJGLBUWJFX-KOSHJBKYSA-N 2 2 370.500 4.480 20 0 FIADLP CSc1ccccc1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000442857990 1092828216 /nfs/dbraw/zinc/82/82/16/1092828216.db2.gz HHNSTSGQMGPPCT-ICSRJNTNSA-N 2 2 370.562 4.350 20 0 FIADLP CSc1ccccc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000442857990 1092828227 /nfs/dbraw/zinc/82/82/27/1092828227.db2.gz HHNSTSGQMGPPCT-ICSRJNTNSA-N 2 2 370.562 4.350 20 0 FIADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000894037410 1092874684 /nfs/dbraw/zinc/87/46/84/1092874684.db2.gz KQYNSDHOWNVOSV-CQSZACIVSA-N 2 2 353.532 4.011 20 0 FIADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000894037410 1092874688 /nfs/dbraw/zinc/87/46/88/1092874688.db2.gz KQYNSDHOWNVOSV-CQSZACIVSA-N 2 2 353.532 4.011 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(OC(F)F)c1 ZINC000152104028 1092986397 /nfs/dbraw/zinc/98/63/97/1092986397.db2.gz PKBKHLRAJHCOJO-OAHLLOKOSA-N 2 2 357.404 4.384 20 0 FIADLP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000512650039 1093073971 /nfs/dbraw/zinc/07/39/71/1093073971.db2.gz WNUMDHWYDTWEEG-QCBQRGATSA-N 2 2 365.521 4.103 20 0 FIADLP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000509616466 1093172322 /nfs/dbraw/zinc/17/23/22/1093172322.db2.gz ILDCKFOVTCVLJY-QHCPKHFHSA-N 2 2 360.505 4.014 20 0 FIADLP Cc1cccn2cc(C[NH2+]C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)nc12 ZINC001168019709 1093190004 /nfs/dbraw/zinc/19/00/04/1093190004.db2.gz JMLONELZHJAZPN-OALUTQOASA-N 2 2 362.521 4.174 20 0 FIADLP CC(C)[NH2+]C1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443516683 1093229214 /nfs/dbraw/zinc/22/92/14/1093229214.db2.gz GSZDYZJRKXBGPE-UHFFFAOYSA-N 2 2 366.278 4.103 20 0 FIADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)n2)cc1F ZINC000247537624 1093383941 /nfs/dbraw/zinc/38/39/41/1093383941.db2.gz JUUOIPUNNAHKHV-MPGHIAIKSA-N 2 2 369.444 4.025 20 0 FIADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)n2)cc1F ZINC000247537624 1093383949 /nfs/dbraw/zinc/38/39/49/1093383949.db2.gz JUUOIPUNNAHKHV-MPGHIAIKSA-N 2 2 369.444 4.025 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000191480079 1093406693 /nfs/dbraw/zinc/40/66/93/1093406693.db2.gz QALXMSBUEOFQIF-UHFFFAOYSA-N 2 2 356.445 4.152 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000191480079 1093406699 /nfs/dbraw/zinc/40/66/99/1093406699.db2.gz QALXMSBUEOFQIF-UHFFFAOYSA-N 2 2 356.445 4.152 20 0 FIADLP FC(F)(F)c1cnc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000433344680 1093598124 /nfs/dbraw/zinc/59/81/24/1093598124.db2.gz SXYVNBYSXQDQIR-UHFFFAOYSA-N 2 2 355.429 4.048 20 0 FIADLP Cc1ccc([C@@H]([NH3+])c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)cc1 ZINC000261746931 1093760830 /nfs/dbraw/zinc/76/08/30/1093760830.db2.gz LKBLPJQRSBWWSM-HXUWFJFHSA-N 2 2 362.477 4.079 20 0 FIADLP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000894172077 1093853338 /nfs/dbraw/zinc/85/33/38/1093853338.db2.gz OSVHWZACHAOJLK-UHFFFAOYSA-N 2 2 365.543 4.202 20 0 FIADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)c2)[nH+]c1C ZINC000729338965 1093966376 /nfs/dbraw/zinc/96/63/76/1093966376.db2.gz LXGPLLPUEXZVME-LJQANCHMSA-N 2 2 354.498 4.143 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(Cl)ccc1OCC1CC1)CCC2 ZINC000430031598 1094376634 /nfs/dbraw/zinc/37/66/34/1094376634.db2.gz MCKYXNVMNKPHEZ-INIZCTEOSA-N 2 2 359.901 4.301 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000474797029 1094611618 /nfs/dbraw/zinc/61/16/18/1094611618.db2.gz PYDZTBWFYYQSNJ-HZPDHXFCSA-N 2 2 352.950 4.311 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000474799738 1094618485 /nfs/dbraw/zinc/61/84/85/1094618485.db2.gz QHDQIWZWYVRQOK-VNQPRFMTSA-N 2 2 370.990 4.373 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)[C@H](C)c1nc3ccccc3s1)CCC2 ZINC000474814616 1094661507 /nfs/dbraw/zinc/66/15/07/1094661507.db2.gz XYJQGAVZKXFHSN-XHSDSOJGSA-N 2 2 354.523 4.460 20 0 FIADLP COc1cccc2c1OC[C@H]2[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042309 1094681045 /nfs/dbraw/zinc/68/10/45/1094681045.db2.gz YTUCJMAPTCNAIB-SHJAMOMRSA-N 2 2 366.505 4.160 20 0 FIADLP COc1cccc2c1OC[C@H]2[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042309 1094681047 /nfs/dbraw/zinc/68/10/47/1094681047.db2.gz YTUCJMAPTCNAIB-SHJAMOMRSA-N 2 2 366.505 4.160 20 0 FIADLP C[NH+](C)CCCC1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000501797038 1094931215 /nfs/dbraw/zinc/93/12/15/1094931215.db2.gz STEDJANBOKBMNZ-UHFFFAOYSA-N 2 2 369.340 4.195 20 0 FIADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000443856872 1095130531 /nfs/dbraw/zinc/13/05/31/1095130531.db2.gz NVYVLWCDJKNPCF-HNNXBMFYSA-N 2 2 351.416 4.202 20 0 FIADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000443856872 1095130536 /nfs/dbraw/zinc/13/05/36/1095130536.db2.gz NVYVLWCDJKNPCF-HNNXBMFYSA-N 2 2 351.416 4.202 20 0 FIADLP CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000420904170 1095152138 /nfs/dbraw/zinc/15/21/38/1095152138.db2.gz BSLGOSPBNHQWCQ-KRWDZBQOSA-N 2 2 373.566 4.039 20 0 FIADLP CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000420904170 1095152154 /nfs/dbraw/zinc/15/21/54/1095152154.db2.gz BSLGOSPBNHQWCQ-KRWDZBQOSA-N 2 2 373.566 4.039 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc2cccc(F)c2o1 ZINC000420924684 1095166586 /nfs/dbraw/zinc/16/65/86/1095166586.db2.gz UFKQRBXQQDSNCG-MRXNPFEDSA-N 2 2 368.452 4.255 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cc2cccc(F)c2o1 ZINC000420923603 1095166620 /nfs/dbraw/zinc/16/66/20/1095166620.db2.gz QOYLRVSVGPYGEF-MRXNPFEDSA-N 2 2 368.452 4.255 20 0 FIADLP C[C@H]1C[C@@]1([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000420946608 1095188646 /nfs/dbraw/zinc/18/86/46/1095188646.db2.gz BCIWIYHZVPGXSH-JTSKRJEESA-N 2 2 370.924 4.197 20 0 FIADLP COc1ccccc1/C=C\C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502324953 1095350741 /nfs/dbraw/zinc/35/07/41/1095350741.db2.gz GXJVJJJDMLUVAJ-QBUQCISBSA-N 2 2 351.494 4.121 20 0 FIADLP CC(C)Cc1ncc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000502343551 1095380231 /nfs/dbraw/zinc/38/02/31/1095380231.db2.gz SKFDHVLFYWIMHY-INIZCTEOSA-N 2 2 358.555 4.254 20 0 FIADLP CC(C)Cc1ncc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000502343551 1095380246 /nfs/dbraw/zinc/38/02/46/1095380246.db2.gz SKFDHVLFYWIMHY-INIZCTEOSA-N 2 2 358.555 4.254 20 0 FIADLP Cc1c(Cl)c(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)nn1C ZINC000421327040 1095524620 /nfs/dbraw/zinc/52/46/20/1095524620.db2.gz PLQHRTUENZBNEK-UHFFFAOYSA-N 2 2 360.933 4.048 20 0 FIADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000237236243 1095720859 /nfs/dbraw/zinc/72/08/59/1095720859.db2.gz WVINWNCGKFNAGM-UHFFFAOYSA-N 2 2 364.320 4.035 20 0 FIADLP COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000502724571 1095760443 /nfs/dbraw/zinc/76/04/43/1095760443.db2.gz QKRMQJRUYYYVEY-RDJZCZTQSA-N 2 2 367.331 4.079 20 0 FIADLP COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000502724571 1095760454 /nfs/dbraw/zinc/76/04/54/1095760454.db2.gz QKRMQJRUYYYVEY-RDJZCZTQSA-N 2 2 367.331 4.079 20 0 FIADLP COc1ccc(Br)cc1[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000502724571 1095760467 /nfs/dbraw/zinc/76/04/67/1095760467.db2.gz QKRMQJRUYYYVEY-RDJZCZTQSA-N 2 2 367.331 4.079 20 0 FIADLP COc1ccc(Br)cc1[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000502724571 1095760480 /nfs/dbraw/zinc/76/04/80/1095760480.db2.gz QKRMQJRUYYYVEY-RDJZCZTQSA-N 2 2 367.331 4.079 20 0 FIADLP Cc1cc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)oc1C ZINC000502724300 1095760648 /nfs/dbraw/zinc/76/06/48/1095760648.db2.gz PFAQWIQFUBZHOV-CVEARBPZSA-N 2 2 359.489 4.199 20 0 FIADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)c1 ZINC000395635991 1095817599 /nfs/dbraw/zinc/81/75/99/1095817599.db2.gz HIZGZQAEZMMNIV-GOSISDBHSA-N 2 2 365.521 4.350 20 0 FIADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)c1 ZINC000395635991 1095817626 /nfs/dbraw/zinc/81/76/26/1095817626.db2.gz HIZGZQAEZMMNIV-GOSISDBHSA-N 2 2 365.521 4.350 20 0 FIADLP COC1([C@@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CCCCC1 ZINC000421837995 1095947059 /nfs/dbraw/zinc/94/70/59/1095947059.db2.gz UIFHGMHJVWOHCY-VQTJNVASSA-N 2 2 374.569 4.214 20 0 FIADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000421812593 1095948716 /nfs/dbraw/zinc/94/87/16/1095948716.db2.gz CRCWDKUCYXTKSQ-MRXNPFEDSA-N 2 2 374.912 4.032 20 0 FIADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000513763286 1096080557 /nfs/dbraw/zinc/08/05/57/1096080557.db2.gz WSRNMWSCAXSCTP-MRXNPFEDSA-N 2 2 355.432 4.321 20 0 FIADLP CO[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000272594262 1096193989 /nfs/dbraw/zinc/19/39/89/1096193989.db2.gz SNLSJVONSFLJTF-INIZCTEOSA-N 2 2 364.839 4.034 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)n2c1CCCC2 ZINC000503409314 1096388896 /nfs/dbraw/zinc/38/88/96/1096388896.db2.gz TZSSZDYJFLVIBI-QUCCMNQESA-N 2 2 357.542 4.281 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)n2c1CCCC2 ZINC000503409314 1096388902 /nfs/dbraw/zinc/38/89/02/1096388902.db2.gz TZSSZDYJFLVIBI-QUCCMNQESA-N 2 2 357.542 4.281 20 0 FIADLP CSc1ccc(OCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503433914 1096398678 /nfs/dbraw/zinc/39/86/78/1096398678.db2.gz JKSITEHFVBZHDM-QGZVFWFLSA-N 2 2 371.550 4.200 20 0 FIADLP CSc1ccc(OCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503433914 1096398684 /nfs/dbraw/zinc/39/86/84/1096398684.db2.gz JKSITEHFVBZHDM-QGZVFWFLSA-N 2 2 371.550 4.200 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422641317 1096434096 /nfs/dbraw/zinc/43/40/96/1096434096.db2.gz XOKUNOVEIRGFGJ-SQNIBIBYSA-N 2 2 359.558 4.177 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422641317 1096434104 /nfs/dbraw/zinc/43/41/04/1096434104.db2.gz XOKUNOVEIRGFGJ-SQNIBIBYSA-N 2 2 359.558 4.177 20 0 FIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)c2ccccc21 ZINC000422767123 1096485507 /nfs/dbraw/zinc/48/55/07/1096485507.db2.gz SQFHPRZCHDQSNK-IKGGRYGDSA-N 2 2 359.267 4.007 20 0 FIADLP CCC(CC)(C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)[NH2+][C@H](C)c1ccccc1 ZINC000422772628 1096488014 /nfs/dbraw/zinc/48/80/14/1096488014.db2.gz XHRNQRNPOJVJHL-MSOLQXFVSA-N 3 2 368.569 4.409 20 0 FIADLP CCSc1cccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000414710714 1096547204 /nfs/dbraw/zinc/54/72/04/1096547204.db2.gz HBIBQOMRNWMSGS-HXUWFJFHSA-N 2 2 355.551 4.338 20 0 FIADLP CCSc1cccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000414710714 1096547217 /nfs/dbraw/zinc/54/72/17/1096547217.db2.gz HBIBQOMRNWMSGS-HXUWFJFHSA-N 2 2 355.551 4.338 20 0 FIADLP C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423424673 1096670366 /nfs/dbraw/zinc/67/03/66/1096670366.db2.gz NJBACIVKHKDZGF-FOIQADDNSA-N 2 2 362.477 4.408 20 0 FIADLP C[C@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000435992707 1098624456 /nfs/dbraw/zinc/62/44/56/1098624456.db2.gz HTZKIVCPSGRTBT-BRWVUGGUSA-N 2 2 366.509 4.086 20 0 FIADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc2ccccc2c1OC(F)F ZINC000515530182 1098668741 /nfs/dbraw/zinc/66/87/41/1098668741.db2.gz VZALYEDERYUZGE-OCCSQVGLSA-N 2 2 357.404 4.372 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436303233 1098915778 /nfs/dbraw/zinc/91/57/78/1098915778.db2.gz WLSYLMQSWGBFDJ-DBXVSBKESA-N 2 2 369.940 4.481 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436303233 1098915781 /nfs/dbraw/zinc/91/57/81/1098915781.db2.gz WLSYLMQSWGBFDJ-DBXVSBKESA-N 2 2 369.940 4.481 20 0 FIADLP Fc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cccc1C(F)(F)F ZINC001167960768 1098992655 /nfs/dbraw/zinc/99/26/55/1098992655.db2.gz BWGSLQNADBYNIP-MQVJKMGUSA-N 2 2 356.407 4.340 20 0 FIADLP Fc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cccc1C(F)(F)F ZINC001167960768 1098992658 /nfs/dbraw/zinc/99/26/58/1098992658.db2.gz BWGSLQNADBYNIP-MQVJKMGUSA-N 2 2 356.407 4.340 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533440963 1099066062 /nfs/dbraw/zinc/06/60/62/1099066062.db2.gz TZALUKIBRLRQBU-PMACEKPBSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533440963 1099066075 /nfs/dbraw/zinc/06/60/75/1099066075.db2.gz TZALUKIBRLRQBU-PMACEKPBSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533440963 1099066087 /nfs/dbraw/zinc/06/60/87/1099066087.db2.gz TZALUKIBRLRQBU-PMACEKPBSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533440963 1099066098 /nfs/dbraw/zinc/06/60/98/1099066098.db2.gz TZALUKIBRLRQBU-PMACEKPBSA-N 2 2 364.537 4.230 20 0 FIADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC000455470179 1099241410 /nfs/dbraw/zinc/24/14/10/1099241410.db2.gz ICWWFPRBRNPHLV-IBGZPJMESA-N 2 2 354.498 4.211 20 0 FIADLP Fc1ccccc1OC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000459386203 1099268063 /nfs/dbraw/zinc/26/80/63/1099268063.db2.gz AWOITXFFHWVYNX-NRFANRHFSA-N 2 2 354.469 4.162 20 0 FIADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1Cl ZINC000437007275 1099511238 /nfs/dbraw/zinc/51/12/38/1099511238.db2.gz JLNWXHUKCQFBCF-DOMZBBRYSA-N 2 2 368.706 4.355 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000508675344 1099590952 /nfs/dbraw/zinc/59/09/52/1099590952.db2.gz FWOGJMMPPMJYJP-INIZCTEOSA-N 2 2 353.441 4.274 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000508675344 1099590964 /nfs/dbraw/zinc/59/09/64/1099590964.db2.gz FWOGJMMPPMJYJP-INIZCTEOSA-N 2 2 353.441 4.274 20 0 FIADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866863 1099896448 /nfs/dbraw/zinc/89/64/48/1099896448.db2.gz UZUMPINZNKEABM-PKTZIBPZSA-N 3 2 369.597 4.141 20 0 FIADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866863 1099896469 /nfs/dbraw/zinc/89/64/69/1099896469.db2.gz UZUMPINZNKEABM-PKTZIBPZSA-N 3 2 369.597 4.141 20 0 FIADLP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866863 1099896493 /nfs/dbraw/zinc/89/64/93/1099896493.db2.gz UZUMPINZNKEABM-PKTZIBPZSA-N 3 2 369.597 4.141 20 0 FIADLP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866863 1099896510 /nfs/dbraw/zinc/89/65/10/1099896510.db2.gz UZUMPINZNKEABM-PKTZIBPZSA-N 3 2 369.597 4.141 20 0 FIADLP CCc1ccc([C@H](COC)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000508721304 1099938577 /nfs/dbraw/zinc/93/85/77/1099938577.db2.gz PACWOISWEHCOHG-QFUCXCTJSA-N 2 2 356.510 4.030 20 0 FIADLP CCc1ccc([C@H](COC)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000508721304 1099938581 /nfs/dbraw/zinc/93/85/81/1099938581.db2.gz PACWOISWEHCOHG-QFUCXCTJSA-N 2 2 356.510 4.030 20 0 FIADLP C[C@H](Nc1ccc(N2CCCC2)c[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516998734 1099977975 /nfs/dbraw/zinc/97/79/75/1099977975.db2.gz XLSLOKSOUMTZRS-ICSRJNTNSA-N 2 2 350.510 4.004 20 0 FIADLP C[C@H](Nc1ccc(N2CCCC2)c[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516998734 1099977979 /nfs/dbraw/zinc/97/79/79/1099977979.db2.gz XLSLOKSOUMTZRS-ICSRJNTNSA-N 2 2 350.510 4.004 20 0 FIADLP C[C@@H](Nc1ccc(N2CCCC2)c[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516998736 1099978569 /nfs/dbraw/zinc/97/85/69/1099978569.db2.gz XLSLOKSOUMTZRS-UYAOXDASSA-N 2 2 350.510 4.004 20 0 FIADLP C[C@@H](Nc1ccc(N2CCCC2)c[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516998736 1099978572 /nfs/dbraw/zinc/97/85/72/1099978572.db2.gz XLSLOKSOUMTZRS-UYAOXDASSA-N 2 2 350.510 4.004 20 0 FIADLP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2CCc2c[nH+]cn2C)c1 ZINC000459403791 1100111216 /nfs/dbraw/zinc/11/12/16/1100111216.db2.gz GTBMINNGOKJJMU-DHIUTWEWSA-N 2 2 361.489 4.202 20 0 FIADLP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2CCc2c[nH+]cn2C)c1 ZINC000459403791 1100111225 /nfs/dbraw/zinc/11/12/25/1100111225.db2.gz GTBMINNGOKJJMU-DHIUTWEWSA-N 2 2 361.489 4.202 20 0 FIADLP CC[N@H+](Cc1scnc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000536671930 1100155937 /nfs/dbraw/zinc/15/59/37/1100155937.db2.gz URPQXPRZSOMAEC-UHFFFAOYSA-N 2 2 373.570 4.164 20 0 FIADLP CC[N@@H+](Cc1scnc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000536671930 1100155945 /nfs/dbraw/zinc/15/59/45/1100155945.db2.gz URPQXPRZSOMAEC-UHFFFAOYSA-N 2 2 373.570 4.164 20 0 FIADLP CC(C)(C)n1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000536675140 1100162970 /nfs/dbraw/zinc/16/29/70/1100162970.db2.gz QFEYIROYKHMBKY-QHCPKHFHSA-N 2 2 366.553 4.126 20 0 FIADLP CC(C)(C)n1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000536675140 1100162977 /nfs/dbraw/zinc/16/29/77/1100162977.db2.gz QFEYIROYKHMBKY-QHCPKHFHSA-N 2 2 366.553 4.126 20 0 FIADLP CC(C)(C)n1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000536675140 1100162984 /nfs/dbraw/zinc/16/29/84/1100162984.db2.gz QFEYIROYKHMBKY-QHCPKHFHSA-N 2 2 366.553 4.126 20 0 FIADLP CC(C)(C)n1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000536675140 1100162990 /nfs/dbraw/zinc/16/29/90/1100162990.db2.gz QFEYIROYKHMBKY-QHCPKHFHSA-N 2 2 366.553 4.126 20 0 FIADLP COc1ccc(C[N@H+](CCc2c[nH+]cn2C)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000459461504 1100205501 /nfs/dbraw/zinc/20/55/01/1100205501.db2.gz GDRYNQNAAPZFFJ-FXAWDEMLSA-N 2 2 371.525 4.061 20 0 FIADLP COc1ccc(C[N@@H+](CCc2c[nH+]cn2C)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000459461504 1100205506 /nfs/dbraw/zinc/20/55/06/1100205506.db2.gz GDRYNQNAAPZFFJ-FXAWDEMLSA-N 2 2 371.525 4.061 20 0 FIADLP COc1cccc(OCCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000536871540 1100390595 /nfs/dbraw/zinc/39/05/95/1100390595.db2.gz RSUHIUODVUBSBL-QGZVFWFLSA-N 2 2 351.450 4.001 20 0 FIADLP COCC[NH+]1CCC([NH2+][C@H](c2ccsc2)c2ccc(Cl)cc2)CC1 ZINC000536876954 1100400422 /nfs/dbraw/zinc/40/04/22/1100400422.db2.gz MGFQHWRRTDZKKP-IBGZPJMESA-N 2 2 364.942 4.191 20 0 FIADLP C[C@H](C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)Cn1cc[nH+]c1 ZINC000517558058 1100482022 /nfs/dbraw/zinc/48/20/22/1100482022.db2.gz ZBCUONQFWBUHIR-CQSZACIVSA-N 2 2 374.282 4.332 20 0 FIADLP CC(C)N(C)c1ccccc1C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000438347745 1100615804 /nfs/dbraw/zinc/61/58/04/1100615804.db2.gz UYEOSAMNJPOQMV-UHFFFAOYSA-N 2 2 372.582 4.044 20 0 FIADLP CC(C)N(C)c1ccccc1C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000438347745 1100615807 /nfs/dbraw/zinc/61/58/07/1100615807.db2.gz UYEOSAMNJPOQMV-UHFFFAOYSA-N 2 2 372.582 4.044 20 0 FIADLP Cc1ccc2cc([C@H](C)Nc3ccc(N4CC[C@@H]([NH+](C)C)C4)c[nH+]3)oc2c1 ZINC000426057917 1100736737 /nfs/dbraw/zinc/73/67/37/1100736737.db2.gz CKBBYFXITLFFMD-QFBILLFUSA-N 2 2 364.493 4.450 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cc3c(cccc3O)s2)CC1 ZINC000894359571 1100803806 /nfs/dbraw/zinc/80/38/06/1100803806.db2.gz OOHVFXAKMAGSDA-HNNXBMFYSA-N 2 2 367.518 4.317 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)cc1F ZINC000518412755 1101178581 /nfs/dbraw/zinc/17/85/81/1101178581.db2.gz PLUGIDGQPWPELQ-FQEVSTJZSA-N 2 2 367.472 4.454 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000426311651 1101244951 /nfs/dbraw/zinc/24/49/51/1101244951.db2.gz RAGXJYKMEYDWCB-AUSJPIAWSA-N 2 2 353.491 4.287 20 0 FIADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@@H](C)Cc3cccc(F)c3)sc2C1 ZINC000459764719 1101377408 /nfs/dbraw/zinc/37/74/08/1101377408.db2.gz VEXLXQADIGCVLU-HNNXBMFYSA-N 2 2 361.530 4.112 20 0 FIADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@@H](C)Cc3cccc(F)c3)sc2C1 ZINC000459764719 1101377421 /nfs/dbraw/zinc/37/74/21/1101377421.db2.gz VEXLXQADIGCVLU-HNNXBMFYSA-N 2 2 361.530 4.112 20 0 FIADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@@H](C)Cc3cccc(F)c3)sc2C1 ZINC000459764719 1101377436 /nfs/dbraw/zinc/37/74/36/1101377436.db2.gz VEXLXQADIGCVLU-HNNXBMFYSA-N 2 2 361.530 4.112 20 0 FIADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)[C@@H](C)Cc3cccc(F)c3)sc2C1 ZINC000459764719 1101377451 /nfs/dbraw/zinc/37/74/51/1101377451.db2.gz VEXLXQADIGCVLU-HNNXBMFYSA-N 2 2 361.530 4.112 20 0 FIADLP CCCCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000537016597 1101382718 /nfs/dbraw/zinc/38/27/18/1101382718.db2.gz PPPMZHFLNQOECG-GCJKJVERSA-N 2 2 354.542 4.134 20 0 FIADLP CCCCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000537016597 1101382732 /nfs/dbraw/zinc/38/27/32/1101382732.db2.gz PPPMZHFLNQOECG-GCJKJVERSA-N 2 2 354.542 4.134 20 0 FIADLP CCCc1csc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000426408279 1101511295 /nfs/dbraw/zinc/51/12/95/1101511295.db2.gz BYCTZPRRFGYYJG-UHFFFAOYSA-N 2 2 358.555 4.229 20 0 FIADLP CCCc1csc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000426408279 1101511303 /nfs/dbraw/zinc/51/13/03/1101511303.db2.gz BYCTZPRRFGYYJG-UHFFFAOYSA-N 2 2 358.555 4.229 20 0 FIADLP CCO[C@H]1C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1(CC)CC ZINC000537296560 1101618508 /nfs/dbraw/zinc/61/85/08/1101618508.db2.gz VGZFEHLOQQGLBS-PMACEKPBSA-N 2 2 355.526 4.047 20 0 FIADLP Cc1[nH+]ccn1CC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000537296411 1101619314 /nfs/dbraw/zinc/61/93/14/1101619314.db2.gz ACLPFTSSKKBNPQ-UHFFFAOYSA-N 2 2 366.412 4.124 20 0 FIADLP CC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc(C)ccc1OC ZINC000537456307 1101812465 /nfs/dbraw/zinc/81/24/65/1101812465.db2.gz VHLNILCUSQQOJJ-QUCCMNQESA-N 2 2 368.525 4.102 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1 ZINC000648462559 1102013755 /nfs/dbraw/zinc/01/37/55/1102013755.db2.gz JUHQJYVZEMRZSF-IRXDYDNUSA-N 2 2 371.406 4.398 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)n2c1CCCC2 ZINC000282040608 1102062282 /nfs/dbraw/zinc/06/22/82/1102062282.db2.gz LLUBIHGAVZKEDJ-SFHVURJKSA-N 2 2 362.477 4.254 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3coc(-c4ccccc4)n3)C2)n2c1CCCC2 ZINC000282040608 1102062295 /nfs/dbraw/zinc/06/22/95/1102062295.db2.gz LLUBIHGAVZKEDJ-SFHVURJKSA-N 2 2 362.477 4.254 20 0 FIADLP c1cn(-c2ccc(-c3noc([C@H]4CCC[NH2+][C@@H]4c4ccccc4)n3)cc2)c[nH+]1 ZINC001211848770 1102241192 /nfs/dbraw/zinc/24/11/92/1102241192.db2.gz PAHKQQYQMXVWNG-VQTJNVASSA-N 2 2 371.444 4.131 20 0 FIADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000415011825 1102249589 /nfs/dbraw/zinc/24/95/89/1102249589.db2.gz IKUNRONFNPMOTJ-NEPJUHHUSA-N 2 2 366.292 4.071 20 0 FIADLP C[NH+]1CCC([NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)CC1 ZINC000187708881 1102301321 /nfs/dbraw/zinc/30/13/21/1102301321.db2.gz KADSBNHWJKCFSO-MRXNPFEDSA-N 2 2 357.723 4.237 20 0 FIADLP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cc(Cl)cc(Cl)c1 ZINC001167967944 1102305781 /nfs/dbraw/zinc/30/57/81/1102305781.db2.gz MBGQJIRPSBVSOM-IPQPSQTFSA-N 2 2 369.336 4.022 20 0 FIADLP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cc(Cl)cc(Cl)c1 ZINC001167967944 1102305788 /nfs/dbraw/zinc/30/57/88/1102305788.db2.gz MBGQJIRPSBVSOM-IPQPSQTFSA-N 2 2 369.336 4.022 20 0 FIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000532467745 1102375506 /nfs/dbraw/zinc/37/55/06/1102375506.db2.gz HFSTTXJFCGCUTF-HZPDHXFCSA-N 2 2 353.441 4.302 20 0 FIADLP CC(C)COc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000121348091 1102385581 /nfs/dbraw/zinc/38/55/81/1102385581.db2.gz ROBWBBZCZDPDJB-GOSISDBHSA-N 2 2 353.510 4.436 20 0 FIADLP CC[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537661408 1102783569 /nfs/dbraw/zinc/78/35/69/1102783569.db2.gz PIZWIJSPNGPMLR-JOCHJYFZSA-N 2 2 374.532 4.216 20 0 FIADLP CC[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537661408 1102783578 /nfs/dbraw/zinc/78/35/78/1102783578.db2.gz PIZWIJSPNGPMLR-JOCHJYFZSA-N 2 2 374.532 4.216 20 0 FIADLP CC[NH+](Cc1cnn(-c2ccccc2)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537661408 1102783592 /nfs/dbraw/zinc/78/35/92/1102783592.db2.gz PIZWIJSPNGPMLR-JOCHJYFZSA-N 2 2 374.532 4.216 20 0 FIADLP CC[NH+](Cc1cnn(-c2ccccc2)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537661408 1102783611 /nfs/dbraw/zinc/78/36/11/1102783611.db2.gz PIZWIJSPNGPMLR-JOCHJYFZSA-N 2 2 374.532 4.216 20 0 FIADLP Cc1cc(C)c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(C)c1 ZINC000532675689 1102893489 /nfs/dbraw/zinc/89/34/89/1102893489.db2.gz ZJSKZKMGWFYCFT-UHFFFAOYSA-N 2 2 352.526 4.149 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C[C@@H]1c1ccccc1 ZINC000551196989 1102974334 /nfs/dbraw/zinc/97/43/34/1102974334.db2.gz LTEIXYGHSAFDOZ-AUSIDOKSSA-N 2 2 367.512 4.351 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C[C@@H]1c1ccccc1 ZINC000551196989 1102974337 /nfs/dbraw/zinc/97/43/37/1102974337.db2.gz LTEIXYGHSAFDOZ-AUSIDOKSSA-N 2 2 367.512 4.351 20 0 FIADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000532721059 1103112401 /nfs/dbraw/zinc/11/24/01/1103112401.db2.gz RXBFLGLBPBNDIN-TZIWHRDSSA-N 2 2 374.488 4.278 20 0 FIADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000532721059 1103112407 /nfs/dbraw/zinc/11/24/07/1103112407.db2.gz RXBFLGLBPBNDIN-TZIWHRDSSA-N 2 2 374.488 4.278 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cn1 ZINC000551394632 1103176705 /nfs/dbraw/zinc/17/67/05/1103176705.db2.gz KHSLHNBYJBHNME-BEFAXECRSA-N 2 2 363.427 4.101 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cn1 ZINC000551394632 1103176715 /nfs/dbraw/zinc/17/67/15/1103176715.db2.gz KHSLHNBYJBHNME-BEFAXECRSA-N 2 2 363.427 4.101 20 0 FIADLP CC1(C)[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C[C@H]1Oc1ccccc1 ZINC000551537124 1103337365 /nfs/dbraw/zinc/33/73/65/1103337365.db2.gz MNRISXRXLZYNOF-FGZHOGPDSA-N 2 2 361.489 4.267 20 0 FIADLP Cc1ccc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CCC2)cc1 ZINC000427561325 1104358574 /nfs/dbraw/zinc/35/85/74/1104358574.db2.gz BMWNNAPZVDWCMS-DEOSSOPVSA-N 2 2 364.533 4.458 20 0 FIADLP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000536303067 1104637419 /nfs/dbraw/zinc/63/74/19/1104637419.db2.gz UYQWVYWYYFQELB-HNNXBMFYSA-N 2 2 364.262 4.062 20 0 FIADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000520459682 1104760326 /nfs/dbraw/zinc/76/03/26/1104760326.db2.gz CGVCGCATMWWJIF-WMZHIEFXSA-N 3 2 366.553 4.064 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000280836855 1105083062 /nfs/dbraw/zinc/08/30/62/1105083062.db2.gz LOYFISWCHZEZOK-VGSWGCGISA-N 2 2 350.510 4.133 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000427843457 1105293117 /nfs/dbraw/zinc/29/31/17/1105293117.db2.gz TUCPLRYKWXHNNU-CVDCTZTESA-N 2 2 369.528 4.434 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000427843457 1105293118 /nfs/dbraw/zinc/29/31/18/1105293118.db2.gz TUCPLRYKWXHNNU-CVDCTZTESA-N 2 2 369.528 4.434 20 0 FIADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000427850611 1105295220 /nfs/dbraw/zinc/29/52/20/1105295220.db2.gz IOSDICRUVBBBPW-JPYJTQIMSA-N 2 2 365.521 4.350 20 0 FIADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000427850611 1105295225 /nfs/dbraw/zinc/29/52/25/1105295225.db2.gz IOSDICRUVBBBPW-JPYJTQIMSA-N 2 2 365.521 4.350 20 0 FIADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427852735 1105296163 /nfs/dbraw/zinc/29/61/63/1105296163.db2.gz MVKIIBBONKYAFP-IEBWSBKVSA-N 2 2 353.510 4.307 20 0 FIADLP COc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2Cl)cc1 ZINC000427871238 1105305754 /nfs/dbraw/zinc/30/57/54/1105305754.db2.gz ZSBOBGRGQMKIKX-HRAATJIYSA-N 2 2 367.880 4.239 20 0 FIADLP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000508051376 1105306901 /nfs/dbraw/zinc/30/69/01/1105306901.db2.gz GAUOHFDWEXDARA-UHFFFAOYSA-N 2 2 352.400 4.491 20 0 FIADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(OC)cc1 ZINC000390648379 1106738081 /nfs/dbraw/zinc/73/80/81/1106738081.db2.gz IWDFIQIEAYUFNV-PKTZIBPZSA-N 2 2 368.521 4.027 20 0 FIADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(OC)cc1 ZINC000390648379 1106738093 /nfs/dbraw/zinc/73/80/93/1106738093.db2.gz IWDFIQIEAYUFNV-PKTZIBPZSA-N 2 2 368.521 4.027 20 0 FIADLP COc1c(C)cnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1C ZINC000390911667 1106776972 /nfs/dbraw/zinc/77/69/72/1106776972.db2.gz RFEYWOXXKQIVKW-OAQYLSRUSA-N 2 2 367.537 4.097 20 0 FIADLP COc1c(C)cnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1C ZINC000390911667 1106776986 /nfs/dbraw/zinc/77/69/86/1106776986.db2.gz RFEYWOXXKQIVKW-OAQYLSRUSA-N 2 2 367.537 4.097 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000450932094 1106807186 /nfs/dbraw/zinc/80/71/86/1106807186.db2.gz QUHHBWCSSSGPTH-UHFFFAOYSA-N 2 2 350.441 4.037 20 0 FIADLP Cc1cccc(Oc2ccccc2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655711462 1106835613 /nfs/dbraw/zinc/83/56/13/1106835613.db2.gz GONGFWHBDHDGMZ-OAQYLSRUSA-N 2 2 366.505 4.130 20 0 FIADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H]3CC[NH2+]C34CCC4)s2)cc1 ZINC000530224167 1106915035 /nfs/dbraw/zinc/91/50/35/1106915035.db2.gz VACVVRHVHPYKBW-SUMWQHHRSA-N 2 2 357.523 4.062 20 0 FIADLP Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530218970 1106919004 /nfs/dbraw/zinc/91/90/04/1106919004.db2.gz KJAMAUVCCOGANB-NVXWUHKLSA-N 2 2 357.498 4.201 20 0 FIADLP Cc1cc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)nc(C(C)C)[nH+]1 ZINC000301098472 1106933391 /nfs/dbraw/zinc/93/33/91/1106933391.db2.gz PTGPRHDCPRNTBM-UHFFFAOYSA-N 2 2 360.452 4.263 20 0 FIADLP CC1(C)C[C@H]([NH2+]CCCCn2cc[nH+]c2)c2cc(Br)ccc21 ZINC000530321684 1106965234 /nfs/dbraw/zinc/96/52/34/1106965234.db2.gz IERARYQHJJJEBW-KRWDZBQOSA-N 2 2 362.315 4.438 20 0 FIADLP Cc1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301624024 1107091304 /nfs/dbraw/zinc/09/13/04/1107091304.db2.gz FSQALGVHPADDOX-INIZCTEOSA-N 2 2 371.387 4.197 20 0 FIADLP Cc1cc([C@@H]([NH2+]CCc2c[nH+]cn2C)c2ccccc2Cl)ccc1F ZINC000530513249 1107107464 /nfs/dbraw/zinc/10/74/64/1107107464.db2.gz XBRXLWOOHGPUEP-HXUWFJFHSA-N 2 2 357.860 4.443 20 0 FIADLP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000530529670 1107118191 /nfs/dbraw/zinc/11/81/91/1107118191.db2.gz COTFNRLFNMWIBH-OOHWJJMZSA-N 2 2 370.459 4.460 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451944294 1107390747 /nfs/dbraw/zinc/39/07/47/1107390747.db2.gz OCKZMXHTIWWHDU-UHFFFAOYSA-N 2 2 361.489 4.062 20 0 FIADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302813379 1107455446 /nfs/dbraw/zinc/45/54/46/1107455446.db2.gz ZRTHJHHVSSFMSO-SFHVURJKSA-N 2 2 365.525 4.063 20 0 FIADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302813379 1107455453 /nfs/dbraw/zinc/45/54/53/1107455453.db2.gz ZRTHJHHVSSFMSO-SFHVURJKSA-N 2 2 365.525 4.063 20 0 FIADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302813379 1107455464 /nfs/dbraw/zinc/45/54/64/1107455464.db2.gz ZRTHJHHVSSFMSO-SFHVURJKSA-N 2 2 365.525 4.063 20 0 FIADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302813379 1107455476 /nfs/dbraw/zinc/45/54/76/1107455476.db2.gz ZRTHJHHVSSFMSO-SFHVURJKSA-N 2 2 365.525 4.063 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000237315166 1107793365 /nfs/dbraw/zinc/79/33/65/1107793365.db2.gz JGRFLQCGXBFEPU-KRWDZBQOSA-N 2 2 356.485 4.192 20 0 FIADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000531430341 1107875659 /nfs/dbraw/zinc/87/56/59/1107875659.db2.gz ZJEOHOBDZVOGIU-FUHWJXTLSA-N 2 2 358.555 4.195 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl)CCC2 ZINC000531733139 1108103904 /nfs/dbraw/zinc/10/39/04/1108103904.db2.gz PLNOHRWOLOHHMQ-HOCLYGCPSA-N 2 2 374.916 4.038 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C)CCC2 ZINC000531733116 1108104012 /nfs/dbraw/zinc/10/40/12/1108104012.db2.gz LABYILYDZXOXJC-GDBMZVCRSA-N 2 2 374.916 4.038 20 0 FIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Oc2ccccc2)cn1 ZINC000453091783 1108163447 /nfs/dbraw/zinc/16/34/47/1108163447.db2.gz SMMVIYLUUQXHNY-KRWDZBQOSA-N 2 2 362.477 4.300 20 0 FIADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CC([NH+]4CCCCC4)C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453220878 1108291886 /nfs/dbraw/zinc/29/18/86/1108291886.db2.gz PKMMWUFFTDZDES-ISEXJNJKSA-N 3 2 367.581 4.036 20 0 FIADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC([NH+]4CCCCC4)C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453220878 1108291898 /nfs/dbraw/zinc/29/18/98/1108291898.db2.gz PKMMWUFFTDZDES-ISEXJNJKSA-N 3 2 367.581 4.036 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453253432 1108326422 /nfs/dbraw/zinc/32/64/22/1108326422.db2.gz IERMHWUNLHHKNL-AOMKIAJQSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453253432 1108326433 /nfs/dbraw/zinc/32/64/33/1108326433.db2.gz IERMHWUNLHHKNL-AOMKIAJQSA-N 2 2 353.485 4.098 20 0 FIADLP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000531932862 1108402462 /nfs/dbraw/zinc/40/24/62/1108402462.db2.gz MSEUYPSOUGGJJK-AUSIDOKSSA-N 2 2 351.538 4.248 20 0 FIADLP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000531932862 1108402463 /nfs/dbraw/zinc/40/24/63/1108402463.db2.gz MSEUYPSOUGGJJK-AUSIDOKSSA-N 2 2 351.538 4.248 20 0 FIADLP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453322567 1108414321 /nfs/dbraw/zinc/41/43/21/1108414321.db2.gz IRYZIXQCICIEJO-KNQAVFIVSA-N 2 2 357.542 4.168 20 0 FIADLP Cc1[nH+]cc(C[NH+]2CCC3(CC2)OCCc2ccccc23)n1-c1ccccc1 ZINC000453578166 1108641402 /nfs/dbraw/zinc/64/14/02/1108641402.db2.gz UGNNYQOKVSVPRI-UHFFFAOYSA-N 2 2 373.500 4.245 20 0 FIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000532194626 1108702467 /nfs/dbraw/zinc/70/24/67/1108702467.db2.gz BDEDHXCLEBQANR-ZIAGYGMSSA-N 2 2 356.297 4.416 20 0 FIADLP O[C@]1(C[NH2+]Cc2ccc(-c3ccccc3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000524945340 1109216781 /nfs/dbraw/zinc/21/67/81/1109216781.db2.gz CBNAEYHOLVACSX-VWLOTQADSA-N 2 2 372.512 4.080 20 0 FIADLP O[C@]1(C[NH2+]Cc2ccc(-c3ccccc3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000524945340 1109216784 /nfs/dbraw/zinc/21/67/84/1109216784.db2.gz CBNAEYHOLVACSX-VWLOTQADSA-N 2 2 372.512 4.080 20 0 FIADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000525267412 1109324534 /nfs/dbraw/zinc/32/45/34/1109324534.db2.gz NUKXIIGCCXJROT-WBVHZDCISA-N 2 2 370.368 4.155 20 0 FIADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000525267412 1109324537 /nfs/dbraw/zinc/32/45/37/1109324537.db2.gz NUKXIIGCCXJROT-WBVHZDCISA-N 2 2 370.368 4.155 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000447076068 1109436525 /nfs/dbraw/zinc/43/65/25/1109436525.db2.gz GHMNSSRJNBAICX-UHFFFAOYSA-N 2 2 369.484 4.173 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000447093303 1109440970 /nfs/dbraw/zinc/44/09/70/1109440970.db2.gz IMZCYXMQANMXDR-UHFFFAOYSA-N 2 2 366.383 4.332 20 0 FIADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1csc(Cl)c1 ZINC000526049266 1109603877 /nfs/dbraw/zinc/60/38/77/1109603877.db2.gz XHHGMUVENXZKLF-MAUKXSAKSA-N 2 2 363.958 4.041 20 0 FIADLP Fc1cccc(Cl)c1CCC[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000447819522 1109647154 /nfs/dbraw/zinc/64/71/54/1109647154.db2.gz AVBHBBUTZUGRLP-UHFFFAOYSA-N 2 2 371.887 4.489 20 0 FIADLP C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000447895983 1109670701 /nfs/dbraw/zinc/67/07/01/1109670701.db2.gz FJXUTMXDLYMCIC-AEFFLSMTSA-N 2 2 357.567 4.441 20 0 FIADLP C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000447895983 1109670702 /nfs/dbraw/zinc/67/07/02/1109670702.db2.gz FJXUTMXDLYMCIC-AEFFLSMTSA-N 2 2 357.567 4.441 20 0 FIADLP Brc1cccc2c(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccnc12 ZINC000449019712 1109955605 /nfs/dbraw/zinc/95/56/05/1109955605.db2.gz XABDCFYPYYFUPF-AWEZNQCLSA-N 2 2 371.282 4.100 20 0 FIADLP Brc1cccc2c(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccnc12 ZINC000449019712 1109955606 /nfs/dbraw/zinc/95/56/06/1109955606.db2.gz XABDCFYPYYFUPF-AWEZNQCLSA-N 2 2 371.282 4.100 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449031984 1109960278 /nfs/dbraw/zinc/96/02/78/1109960278.db2.gz WFEXVJYUXTUFKN-CQSZACIVSA-N 2 2 365.493 4.252 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449031984 1109960281 /nfs/dbraw/zinc/96/02/81/1109960281.db2.gz WFEXVJYUXTUFKN-CQSZACIVSA-N 2 2 365.493 4.252 20 0 FIADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cc(Cl)sc1Cl ZINC000449108579 1109977351 /nfs/dbraw/zinc/97/73/51/1109977351.db2.gz USAIMKQNUPJDHO-UHFFFAOYSA-N 2 2 359.322 4.285 20 0 FIADLP Cc1cc(Br)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000449090518 1109978349 /nfs/dbraw/zinc/97/83/49/1109978349.db2.gz NOUFDEFYWLFSIB-KBPBESRZSA-N 2 2 357.723 4.127 20 0 FIADLP Cc1cc(Br)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000449090518 1109978350 /nfs/dbraw/zinc/97/83/50/1109978350.db2.gz NOUFDEFYWLFSIB-KBPBESRZSA-N 2 2 357.723 4.127 20 0 FIADLP Cc1cc(Br)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000449090519 1109978557 /nfs/dbraw/zinc/97/85/57/1109978557.db2.gz NOUFDEFYWLFSIB-KGLIPLIRSA-N 2 2 357.723 4.127 20 0 FIADLP Cc1cc(Br)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000449090519 1109978559 /nfs/dbraw/zinc/97/85/59/1109978559.db2.gz NOUFDEFYWLFSIB-KGLIPLIRSA-N 2 2 357.723 4.127 20 0 FIADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449136436 1109982740 /nfs/dbraw/zinc/98/27/40/1109982740.db2.gz BGJYPDBOZZCUJF-NHCUHLMSSA-N 2 2 356.554 4.151 20 0 FIADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449136436 1109982741 /nfs/dbraw/zinc/98/27/41/1109982741.db2.gz BGJYPDBOZZCUJF-NHCUHLMSSA-N 2 2 356.554 4.151 20 0 FIADLP Cn1cc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c(C(F)(F)F)n1 ZINC000449201856 1109998221 /nfs/dbraw/zinc/99/82/21/1109998221.db2.gz JEWLDQMXGQNLAT-UHFFFAOYSA-N 2 2 374.495 4.208 20 0 FIADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](c2cccs2)N(C)C)CC1 ZINC000449219041 1110000016 /nfs/dbraw/zinc/00/00/16/1110000016.db2.gz MCTFMFSQFBUYTE-WIYYLYMNSA-N 2 2 371.594 4.036 20 0 FIADLP CC(C)COc1ccccc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000449265588 1110019043 /nfs/dbraw/zinc/01/90/43/1110019043.db2.gz SDNKYDQDJGPNPV-GMAHTHKFSA-N 2 2 367.537 4.241 20 0 FIADLP CC(C)COc1ccccc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000449265588 1110019044 /nfs/dbraw/zinc/01/90/44/1110019044.db2.gz SDNKYDQDJGPNPV-GMAHTHKFSA-N 2 2 367.537 4.241 20 0 FIADLP CC(C)COc1ccccc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000449265588 1110019047 /nfs/dbraw/zinc/01/90/47/1110019047.db2.gz SDNKYDQDJGPNPV-GMAHTHKFSA-N 2 2 367.537 4.241 20 0 FIADLP CC(C)COc1ccccc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000449265588 1110019048 /nfs/dbraw/zinc/01/90/48/1110019048.db2.gz SDNKYDQDJGPNPV-GMAHTHKFSA-N 2 2 367.537 4.241 20 0 FIADLP Fc1cccc(F)c1-c1ncc(C[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000449300518 1110020690 /nfs/dbraw/zinc/02/06/90/1110020690.db2.gz PCMYADMDZGACAW-UHFFFAOYSA-N 2 2 363.477 4.195 20 0 FIADLP CCCc1nc(C)c(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)o1 ZINC000449342013 1110034897 /nfs/dbraw/zinc/03/48/97/1110034897.db2.gz YJFWORPCUBCLLI-QGZVFWFLSA-N 2 2 355.526 4.121 20 0 FIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000449348107 1110036983 /nfs/dbraw/zinc/03/69/83/1110036983.db2.gz BFHGZMNFUCNUQN-YESZJQIVSA-N 2 2 359.901 4.211 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)C1CCCC1 ZINC000449519244 1110097653 /nfs/dbraw/zinc/09/76/53/1110097653.db2.gz BMXMIURXTKNPBP-JOCHJYFZSA-N 2 2 357.542 4.168 20 0 FIADLP CCCC[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449520442 1110097913 /nfs/dbraw/zinc/09/79/13/1110097913.db2.gz DRRCAFWOZCNAJK-QZTJIDSGSA-N 2 2 359.558 4.414 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@H]3C(C)=CCC[C@@H]3C)CC2)cc1 ZINC000449521321 1110098221 /nfs/dbraw/zinc/09/82/21/1110098221.db2.gz GKZMIOJNWWLRRS-MBSDFSHPSA-N 2 2 369.553 4.191 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC(C)(C)C3)CC2)cc1 ZINC000449523058 1110098656 /nfs/dbraw/zinc/09/86/56/1110098656.db2.gz KRXUIMAMZOBBOR-NRFANRHFSA-N 2 2 357.542 4.168 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H](C)[C@H]3C)CC2)cc1 ZINC000449524530 1110098679 /nfs/dbraw/zinc/09/86/79/1110098679.db2.gz OMAYOOWTXMCTJV-GSHUGGBRSA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC(C)(C)C[C@H]3C)CC2)cc1 ZINC000449523570 1110098948 /nfs/dbraw/zinc/09/89/48/1110098948.db2.gz LUZLNQGUCVIQLW-VGSWGCGISA-N 2 2 371.569 4.414 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC34CCCC4)CC2)cc1 ZINC000449524993 1110099354 /nfs/dbraw/zinc/09/93/54/1110099354.db2.gz QBLJTXYUGHBPMX-QFIPXVFZSA-N 2 2 369.553 4.312 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC34CCCC4)CC2)cc1 ZINC000449524991 1110099387 /nfs/dbraw/zinc/09/93/87/1110099387.db2.gz QBLJTXYUGHBPMX-JOCHJYFZSA-N 2 2 369.553 4.312 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000449526689 1110099907 /nfs/dbraw/zinc/09/99/07/1110099907.db2.gz XKUDVQQIHAHRPX-PXNSSMCTSA-N 2 2 357.542 4.025 20 0 FIADLP CC(C)c1nnc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000450344803 1110285704 /nfs/dbraw/zinc/28/57/04/1110285704.db2.gz IYWBUWPIHCIIBR-UHFFFAOYSA-N 2 2 358.555 4.006 20 0 FIADLP CC(C)c1nnc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000450344803 1110285707 /nfs/dbraw/zinc/28/57/07/1110285707.db2.gz IYWBUWPIHCIIBR-UHFFFAOYSA-N 2 2 358.555 4.006 20 0 FIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCCCC1(F)F ZINC000450459676 1110300869 /nfs/dbraw/zinc/30/08/69/1110300869.db2.gz XNXZBQDHXTURMW-SFHVURJKSA-N 2 2 351.485 4.445 20 0 FIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCCCC1(F)F ZINC000450459676 1110300871 /nfs/dbraw/zinc/30/08/71/1110300871.db2.gz XNXZBQDHXTURMW-SFHVURJKSA-N 2 2 351.485 4.445 20 0 FIADLP CC(=O)c1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000450476765 1110302856 /nfs/dbraw/zinc/30/28/56/1110302856.db2.gz RLFQWHJYQCWXAX-MBSDFSHPSA-N 2 2 350.506 4.374 20 0 FIADLP CC(=O)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000450476765 1110302857 /nfs/dbraw/zinc/30/28/57/1110302857.db2.gz RLFQWHJYQCWXAX-MBSDFSHPSA-N 2 2 350.506 4.374 20 0 FIADLP CC(=O)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000450476765 1110302858 /nfs/dbraw/zinc/30/28/58/1110302858.db2.gz RLFQWHJYQCWXAX-MBSDFSHPSA-N 2 2 350.506 4.374 20 0 FIADLP CC(=O)c1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000450476765 1110302859 /nfs/dbraw/zinc/30/28/59/1110302859.db2.gz RLFQWHJYQCWXAX-MBSDFSHPSA-N 2 2 350.506 4.374 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000538395667 1111122962 /nfs/dbraw/zinc/12/29/62/1111122962.db2.gz JGYNVPGZBKHDHD-CABCVRRESA-N 2 2 369.347 4.229 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(Br)c1 ZINC000538395667 1111122964 /nfs/dbraw/zinc/12/29/64/1111122964.db2.gz JGYNVPGZBKHDHD-CABCVRRESA-N 2 2 369.347 4.229 20 0 FIADLP CCO[C@@H]1C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C12CCC2 ZINC000538409463 1111130490 /nfs/dbraw/zinc/13/04/90/1111130490.db2.gz QHYRKUPMNNJCJN-NJDAHSKKSA-N 2 2 353.510 4.179 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH+]1CCC(c3[nH]cc[nH+]3)CC1)CCC2 ZINC000538782283 1111297622 /nfs/dbraw/zinc/29/76/22/1111297622.db2.gz DNCDPEYUDZFFDR-QGZVFWFLSA-N 2 2 360.299 4.429 20 0 FIADLP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000461800178 1111360947 /nfs/dbraw/zinc/36/09/47/1111360947.db2.gz AANVXAKFEZXEHF-IBGZPJMESA-N 2 2 352.522 4.361 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000539054780 1111402132 /nfs/dbraw/zinc/40/21/32/1111402132.db2.gz QICAQCLLICDCJM-XCGNWRKASA-N 2 2 353.485 4.269 20 0 FIADLP Clc1cccc(OCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1Cl ZINC000539090604 1111427469 /nfs/dbraw/zinc/42/74/69/1111427469.db2.gz HBBPWUBXLWOWMO-UHFFFAOYSA-N 2 2 366.292 4.026 20 0 FIADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544172203 1111439140 /nfs/dbraw/zinc/43/91/40/1111439140.db2.gz WQGYUZWZVOVRAH-PMACEKPBSA-N 2 2 353.491 4.252 20 0 FIADLP c1c[nH]c([C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2CCCCC2)n1 ZINC000552055240 1111559844 /nfs/dbraw/zinc/55/98/44/1111559844.db2.gz FQFNNOILXOBMCX-PZJWPPBQSA-N 2 2 352.526 4.143 20 0 FIADLP c1c[nH]c([C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CCCCC2)n1 ZINC000552055240 1111559847 /nfs/dbraw/zinc/55/98/47/1111559847.db2.gz FQFNNOILXOBMCX-PZJWPPBQSA-N 2 2 352.526 4.143 20 0 FIADLP COCCCOc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000552089894 1111570628 /nfs/dbraw/zinc/57/06/28/1111570628.db2.gz YHDFVSCICOZOMB-GOSISDBHSA-N 2 2 365.477 4.138 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC[N@@H+]1C ZINC000479064262 1111939611 /nfs/dbraw/zinc/93/96/11/1111939611.db2.gz QCMNKDYYOCXLHC-HYSWKAIVSA-N 2 2 355.295 4.112 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC[N@H+]1C ZINC000479064262 1111939613 /nfs/dbraw/zinc/93/96/13/1111939613.db2.gz QCMNKDYYOCXLHC-HYSWKAIVSA-N 2 2 355.295 4.112 20 0 FIADLP COc1cc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1OC(F)F ZINC000553508666 1111991772 /nfs/dbraw/zinc/99/17/72/1111991772.db2.gz DZWLMVCFFBNOSX-AWEZNQCLSA-N 2 2 373.403 4.333 20 0 FIADLP CC(C)C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000479429923 1112027233 /nfs/dbraw/zinc/02/72/33/1112027233.db2.gz KCGZHGXYYOEGSA-IAGOWNOFSA-N 2 2 362.315 4.337 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000479529914 1112053747 /nfs/dbraw/zinc/05/37/47/1112053747.db2.gz RSAHSJMNBPWPQB-FAHLNCGFSA-N 2 2 367.512 4.357 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000479529914 1112053752 /nfs/dbraw/zinc/05/37/52/1112053752.db2.gz RSAHSJMNBPWPQB-FAHLNCGFSA-N 2 2 367.512 4.357 20 0 FIADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000480080456 1112265044 /nfs/dbraw/zinc/26/50/44/1112265044.db2.gz GPTDFCOFGILLEM-DZGCQCFKSA-N 2 2 355.345 4.060 20 0 FIADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000480080456 1112265046 /nfs/dbraw/zinc/26/50/46/1112265046.db2.gz GPTDFCOFGILLEM-DZGCQCFKSA-N 2 2 355.345 4.060 20 0 FIADLP C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480071350 1112269050 /nfs/dbraw/zinc/26/90/50/1112269050.db2.gz ONNZRZLCCAZZEI-KKSFZXQISA-N 2 2 368.912 4.479 20 0 FIADLP Cc1csc(C2([NH2+][C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)CCC2)n1 ZINC000480193488 1112328779 /nfs/dbraw/zinc/32/87/79/1112328779.db2.gz RWTOQTQSPCTNCW-PKOBYXMFSA-N 2 2 355.551 4.331 20 0 FIADLP Cc1csc(C2([NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CCC2)n1 ZINC000480193488 1112328783 /nfs/dbraw/zinc/32/87/83/1112328783.db2.gz RWTOQTQSPCTNCW-PKOBYXMFSA-N 2 2 355.551 4.331 20 0 FIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(Br)o2)c(C)c1 ZINC000480289193 1112369296 /nfs/dbraw/zinc/36/92/96/1112369296.db2.gz MNSVSNSMARZJHU-QGZVFWFLSA-N 2 2 374.282 4.387 20 0 FIADLP COc1ccc2c(c1)[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCC2 ZINC000480529215 1112469805 /nfs/dbraw/zinc/46/98/05/1112469805.db2.gz PSWRGVOPOTWVNU-QFIPXVFZSA-N 2 2 361.489 4.150 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3ccccc3F)nc2)C[C@H]1C ZINC000480557401 1112476913 /nfs/dbraw/zinc/47/69/13/1112476913.db2.gz RYKUMGGRFPCYOU-XLIONFOSSA-N 2 2 371.500 4.104 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3ccccc3F)nc2)C[C@H]1C ZINC000480557401 1112476917 /nfs/dbraw/zinc/47/69/17/1112476917.db2.gz RYKUMGGRFPCYOU-XLIONFOSSA-N 2 2 371.500 4.104 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCc3ccccc3F)nc2)C[C@H]1C ZINC000480557401 1112476919 /nfs/dbraw/zinc/47/69/19/1112476919.db2.gz RYKUMGGRFPCYOU-XLIONFOSSA-N 2 2 371.500 4.104 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCc3ccccc3F)nc2)C[C@H]1C ZINC000480557401 1112476922 /nfs/dbraw/zinc/47/69/22/1112476922.db2.gz RYKUMGGRFPCYOU-XLIONFOSSA-N 2 2 371.500 4.104 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480661328 1112526855 /nfs/dbraw/zinc/52/68/55/1112526855.db2.gz IIUGZKOHNQWJIL-JTSKRJEESA-N 2 2 373.491 4.183 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480661328 1112526857 /nfs/dbraw/zinc/52/68/57/1112526857.db2.gz IIUGZKOHNQWJIL-JTSKRJEESA-N 2 2 373.491 4.183 20 0 FIADLP Fc1cccc(F)c1-c1csc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000480744547 1112582961 /nfs/dbraw/zinc/58/29/61/1112582961.db2.gz AERDJEBZHJPXSE-GFCCVEGCSA-N 2 2 360.433 4.191 20 0 FIADLP Fc1cccc(F)c1-c1csc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000480744547 1112582963 /nfs/dbraw/zinc/58/29/63/1112582963.db2.gz AERDJEBZHJPXSE-GFCCVEGCSA-N 2 2 360.433 4.191 20 0 FIADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000480817496 1112621327 /nfs/dbraw/zinc/62/13/27/1112621327.db2.gz LDUDRTQEEQNOLR-JOCHJYFZSA-N 2 2 351.469 4.427 20 0 FIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000481308729 1112881473 /nfs/dbraw/zinc/88/14/73/1112881473.db2.gz QFFTYJZAFWNOPJ-IEBWSBKVSA-N 2 2 369.509 4.093 20 0 FIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000481308729 1112881482 /nfs/dbraw/zinc/88/14/82/1112881482.db2.gz QFFTYJZAFWNOPJ-IEBWSBKVSA-N 2 2 369.509 4.093 20 0 FIADLP CC(C)C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000481319610 1112890041 /nfs/dbraw/zinc/89/00/41/1112890041.db2.gz HYKSDNYIVMSMHV-HSZRJFAPSA-N 2 2 352.522 4.396 20 0 FIADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481312656 1112894905 /nfs/dbraw/zinc/89/49/05/1112894905.db2.gz MLVSWMMRBDHOIH-HXOBKFHXSA-N 2 2 368.496 4.071 20 0 FIADLP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481540685 1112973248 /nfs/dbraw/zinc/97/32/48/1112973248.db2.gz HFKHFTAVUCXZBI-HXUWFJFHSA-N 3 2 374.532 4.435 20 0 FIADLP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000481943030 1113136260 /nfs/dbraw/zinc/13/62/60/1113136260.db2.gz DYASQBIGVUHUCK-BAGYTPMASA-N 2 2 369.553 4.163 20 0 FIADLP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000481943030 1113136262 /nfs/dbraw/zinc/13/62/62/1113136262.db2.gz DYASQBIGVUHUCK-BAGYTPMASA-N 2 2 369.553 4.163 20 0 FIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)COC2)c1ccccc1 ZINC000482452715 1113264307 /nfs/dbraw/zinc/26/43/07/1113264307.db2.gz UHBSIZSCPYXXCA-WZONZLPQSA-N 2 2 368.521 4.077 20 0 FIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)COC2)c1ccccc1 ZINC000482452715 1113264313 /nfs/dbraw/zinc/26/43/13/1113264313.db2.gz UHBSIZSCPYXXCA-WZONZLPQSA-N 2 2 368.521 4.077 20 0 FIADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000482642651 1113318410 /nfs/dbraw/zinc/31/84/10/1113318410.db2.gz NOJHXPJMEQCPRS-IUODEOHRSA-N 2 2 372.456 4.007 20 0 FIADLP C[C@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486522049 1113587912 /nfs/dbraw/zinc/58/79/12/1113587912.db2.gz XHAFRASCEYEUTA-GHTZIAJQSA-N 2 2 360.505 4.077 20 0 FIADLP C[C@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486522049 1113587914 /nfs/dbraw/zinc/58/79/14/1113587914.db2.gz XHAFRASCEYEUTA-GHTZIAJQSA-N 2 2 360.505 4.077 20 0 FIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCc2ccc(F)cc21 ZINC000489331388 1114090196 /nfs/dbraw/zinc/09/01/96/1114090196.db2.gz PKNCDTGMKVNSPG-OAQYLSRUSA-N 2 2 353.485 4.447 20 0 FIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCc2ccc(F)cc21 ZINC000489331388 1114090199 /nfs/dbraw/zinc/09/01/99/1114090199.db2.gz PKNCDTGMKVNSPG-OAQYLSRUSA-N 2 2 353.485 4.447 20 0 FIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490991153 1114360686 /nfs/dbraw/zinc/36/06/86/1114360686.db2.gz XHXZEXZOPBOUCR-SPYBWZPUSA-N 2 2 370.368 4.012 20 0 FIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490991153 1114360690 /nfs/dbraw/zinc/36/06/90/1114360690.db2.gz XHXZEXZOPBOUCR-SPYBWZPUSA-N 2 2 370.368 4.012 20 0 FIADLP Brc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ncccc12 ZINC000491114596 1114372032 /nfs/dbraw/zinc/37/20/32/1114372032.db2.gz VYEZSSOYQVVQDJ-CQSZACIVSA-N 2 2 371.282 4.100 20 0 FIADLP c1oc(-c2ccccc2)nc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000571211358 1114452689 /nfs/dbraw/zinc/45/26/89/1114452689.db2.gz GGQWAKDEWVJBBD-YADHBBJMSA-N 2 2 373.500 4.296 20 0 FIADLP c1oc(-c2ccccc2)nc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000571211358 1114452696 /nfs/dbraw/zinc/45/26/96/1114452696.db2.gz GGQWAKDEWVJBBD-YADHBBJMSA-N 2 2 373.500 4.296 20 0 FIADLP c1oc(-c2ccccc2)nc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000571211358 1114452700 /nfs/dbraw/zinc/45/27/00/1114452700.db2.gz GGQWAKDEWVJBBD-YADHBBJMSA-N 2 2 373.500 4.296 20 0 FIADLP c1oc(-c2ccccc2)nc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000571211358 1114452705 /nfs/dbraw/zinc/45/27/05/1114452705.db2.gz GGQWAKDEWVJBBD-YADHBBJMSA-N 2 2 373.500 4.296 20 0 FIADLP CSCc1cnc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000590345671 1114923684 /nfs/dbraw/zinc/92/36/84/1114923684.db2.gz SSYDJNFMNONLRZ-UHFFFAOYSA-N 2 2 353.601 4.094 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000573102552 1115050508 /nfs/dbraw/zinc/05/05/08/1115050508.db2.gz ORYOCYYYMUSDEO-PKOBYXMFSA-N 2 2 350.462 4.367 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000573102552 1115050512 /nfs/dbraw/zinc/05/05/12/1115050512.db2.gz ORYOCYYYMUSDEO-PKOBYXMFSA-N 2 2 350.462 4.367 20 0 FIADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000489797819 1115782282 /nfs/dbraw/zinc/78/22/82/1115782282.db2.gz BZNODLFXPUGUKI-IBGZPJMESA-N 2 2 359.901 4.017 20 0 FIADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000489797819 1115782284 /nfs/dbraw/zinc/78/22/84/1115782284.db2.gz BZNODLFXPUGUKI-IBGZPJMESA-N 2 2 359.901 4.017 20 0 FIADLP Clc1cc(Br)cc2c1CC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000534794178 1116237398 /nfs/dbraw/zinc/23/73/98/1116237398.db2.gz NDRAZRQMDHWWFZ-MRXNPFEDSA-N 2 2 368.706 4.356 20 0 FIADLP Brc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502307389 1116252910 /nfs/dbraw/zinc/25/29/10/1116252910.db2.gz DFSHFZOTAIEEAA-MRXNPFEDSA-N 2 2 374.326 4.362 20 0 FIADLP Brc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502307389 1116252912 /nfs/dbraw/zinc/25/29/12/1116252912.db2.gz DFSHFZOTAIEEAA-MRXNPFEDSA-N 2 2 374.326 4.362 20 0 FIADLP CCN(Cc1cc(OC)cc(C)[nH+]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000535286134 1116290422 /nfs/dbraw/zinc/29/04/22/1116290422.db2.gz YONXTHZMBJKOJH-GHTZIAJQSA-N 2 2 353.510 4.056 20 0 FIADLP CCN(Cc1cc(OC)cc(C)[nH+]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000535286134 1116290424 /nfs/dbraw/zinc/29/04/24/1116290424.db2.gz YONXTHZMBJKOJH-GHTZIAJQSA-N 2 2 353.510 4.056 20 0 FIADLP C[C@H]1C[C@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000539650384 1116358412 /nfs/dbraw/zinc/35/84/12/1116358412.db2.gz KHYPUXBELINAGZ-FXAWDEMLSA-N 2 2 364.489 4.047 20 0 FIADLP C[C@H]1C[C@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC[N@H+]1Cc1ccccc1 ZINC000539650384 1116358415 /nfs/dbraw/zinc/35/84/15/1116358415.db2.gz KHYPUXBELINAGZ-FXAWDEMLSA-N 2 2 364.489 4.047 20 0 FIADLP COc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1Cl ZINC000539658068 1116360518 /nfs/dbraw/zinc/36/05/18/1116360518.db2.gz MVRJNYLBPTUDAI-YOEHRIQHSA-N 2 2 374.916 4.057 20 0 FIADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)s1 ZINC000539659375 1116360717 /nfs/dbraw/zinc/36/07/17/1116360717.db2.gz OOIYXEARSVYGDA-GXTWGEPZSA-N 2 2 350.919 4.110 20 0 FIADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@@H](C)c1ccccc1 ZINC000539691056 1116366267 /nfs/dbraw/zinc/36/62/67/1116366267.db2.gz WJOSNVSISZNDJM-QZTJIDSGSA-N 2 2 352.526 4.216 20 0 FIADLP CC(C)n1cc([C@@H](C)[NH2+]CC[C@@H](C)[NH2+][C@@H](C)c2cnn(C(C)C)c2)cn1 ZINC000544469719 1116376395 /nfs/dbraw/zinc/37/63/95/1116376395.db2.gz YKNMTTFEOWDPIF-KURKYZTESA-N 2 2 360.550 4.021 20 0 FIADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1OCC(C)C ZINC000539818410 1116384814 /nfs/dbraw/zinc/38/48/14/1116384814.db2.gz YLXADZWJIPOAFD-FQEVSTJZSA-N 2 2 360.542 4.180 20 0 FIADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1OCC(C)C ZINC000539818410 1116384816 /nfs/dbraw/zinc/38/48/16/1116384816.db2.gz YLXADZWJIPOAFD-FQEVSTJZSA-N 2 2 360.542 4.180 20 0 FIADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000539898431 1117740510 /nfs/dbraw/zinc/74/05/10/1117740510.db2.gz QTBJBCQNBOVJRK-JTHBVZDNSA-N 3 2 369.597 4.093 20 0 FIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000539898431 1117740512 /nfs/dbraw/zinc/74/05/12/1117740512.db2.gz QTBJBCQNBOVJRK-JTHBVZDNSA-N 3 2 369.597 4.093 20 0 FIADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000539898431 1117740513 /nfs/dbraw/zinc/74/05/13/1117740513.db2.gz QTBJBCQNBOVJRK-JTHBVZDNSA-N 3 2 369.597 4.093 20 0 FIADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000539898431 1117740514 /nfs/dbraw/zinc/74/05/14/1117740514.db2.gz QTBJBCQNBOVJRK-JTHBVZDNSA-N 3 2 369.597 4.093 20 0 FIADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)cc2)c1C ZINC000462770583 1117767187 /nfs/dbraw/zinc/76/71/87/1117767187.db2.gz WWYBEAMYCDZCKT-GOSISDBHSA-N 2 2 366.509 4.082 20 0 FIADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)cc2)c1C ZINC000462770583 1117767188 /nfs/dbraw/zinc/76/71/88/1117767188.db2.gz WWYBEAMYCDZCKT-GOSISDBHSA-N 2 2 366.509 4.082 20 0 FIADLP COCCCCc1ccc[nH+]c1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000462825292 1117798985 /nfs/dbraw/zinc/79/89/85/1117798985.db2.gz KDECQFVGBFPYHS-UHFFFAOYSA-N 2 2 353.510 4.127 20 0 FIADLP Cc1ccc(N2CCC(Nc3cc[nH+]c4ccc(Cl)cc34)CC2)[nH+]c1 ZINC000462849330 1117810062 /nfs/dbraw/zinc/81/00/62/1117810062.db2.gz AGFJLTMZPUXQIW-UHFFFAOYSA-N 2 2 352.869 4.094 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc(Cl)c1Cl ZINC000540157858 1117902079 /nfs/dbraw/zinc/90/20/79/1117902079.db2.gz QLEDUKVHCHDUJO-VUCTXSBTSA-N 2 2 357.325 4.022 20 0 FIADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c3ccncc3)CC1)CCC2 ZINC000540150965 1117905495 /nfs/dbraw/zinc/90/54/95/1117905495.db2.gz JXZLIPUWFQFYSY-SBUREZEXSA-N 2 2 365.521 4.283 20 0 FIADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1nc2ccc(Cl)cc2n1C ZINC000540300813 1117975200 /nfs/dbraw/zinc/97/52/00/1117975200.db2.gz SRQBJRKGPILFAA-SUMWQHHRSA-N 2 2 350.938 4.244 20 0 FIADLP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000463140427 1117986585 /nfs/dbraw/zinc/98/65/85/1117986585.db2.gz HFOKEGWOGHVQSQ-UHFFFAOYSA-N 3 2 371.491 4.035 20 0 FIADLP C[NH+](C)[C@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000463149623 1117992717 /nfs/dbraw/zinc/99/27/17/1117992717.db2.gz VSGQHCFQKZJQEB-JOCHJYFZSA-N 2 2 371.956 4.197 20 0 FIADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1ccc(Cl)cc1 ZINC000463244098 1118050563 /nfs/dbraw/zinc/05/05/63/1118050563.db2.gz NUXZTNWVYNZPTJ-ZDUSSCGKSA-N 2 2 364.839 4.114 20 0 FIADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463271136 1118073454 /nfs/dbraw/zinc/07/34/54/1118073454.db2.gz IQIMKWLGSWCYBD-SYYKKAFVSA-N 2 2 350.506 4.461 20 0 FIADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463271136 1118073458 /nfs/dbraw/zinc/07/34/58/1118073458.db2.gz IQIMKWLGSWCYBD-SYYKKAFVSA-N 2 2 350.506 4.461 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(Br)c1 ZINC000540598461 1118140499 /nfs/dbraw/zinc/14/04/99/1118140499.db2.gz LUAQWLPJMAYCLT-CYBMUJFWSA-N 2 2 367.331 4.125 20 0 FIADLP CC(C)C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccs1 ZINC000540756197 1118224700 /nfs/dbraw/zinc/22/47/00/1118224700.db2.gz FFZCBOIWMLCKHR-ZWKOTPCHSA-N 2 2 358.555 4.483 20 0 FIADLP Cc1cc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc(C)c1F ZINC000540758449 1118225855 /nfs/dbraw/zinc/22/58/55/1118225855.db2.gz LDDYAGFBAOASJG-APWZRJJASA-N 2 2 356.489 4.151 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCCc4cc(F)ccc43)[nH+]c2)CC1 ZINC000540787899 1118247431 /nfs/dbraw/zinc/24/74/31/1118247431.db2.gz YIKBRWRWPLPJQQ-OAQYLSRUSA-N 2 2 368.500 4.241 20 0 FIADLP Cc1ccc([C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C2CC2)cc1 ZINC000540789346 1118248266 /nfs/dbraw/zinc/24/82/66/1118248266.db2.gz OMZRLDWZRMJSHH-HSZRJFAPSA-N 2 2 364.537 4.484 20 0 FIADLP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)NC(=O)OC(C)(C)C ZINC000312222400 1118322796 /nfs/dbraw/zinc/32/27/96/1118322796.db2.gz ZTOUBYCJHOIVAH-LPHOPBHVSA-N 2 2 372.513 4.072 20 0 FIADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541546860 1118550946 /nfs/dbraw/zinc/55/09/46/1118550946.db2.gz WUKKRMBEYIBVEY-HXOBKFHXSA-N 2 2 363.480 4.395 20 0 FIADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541546860 1118550950 /nfs/dbraw/zinc/55/09/50/1118550950.db2.gz WUKKRMBEYIBVEY-HXOBKFHXSA-N 2 2 363.480 4.395 20 0 FIADLP Cc1cc([C@H]([NH2+]CCC[NH+]2CCC(C)CC2)c2cccnc2)ccc1F ZINC000541548062 1118551917 /nfs/dbraw/zinc/55/19/17/1118551917.db2.gz FIFVJPKDHHKCFI-QFIPXVFZSA-N 2 2 355.501 4.330 20 0 FIADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541552982 1118560223 /nfs/dbraw/zinc/56/02/23/1118560223.db2.gz YLNSQRRLHCLXRB-GAJHUEQPSA-N 2 2 363.480 4.395 20 0 FIADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541552982 1118560225 /nfs/dbraw/zinc/56/02/25/1118560225.db2.gz YLNSQRRLHCLXRB-GAJHUEQPSA-N 2 2 363.480 4.395 20 0 FIADLP C[C@@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599099 1118574664 /nfs/dbraw/zinc/57/46/64/1118574664.db2.gz GTTKIZMYUFNTIB-NVXWUHKLSA-N 2 2 357.473 4.223 20 0 FIADLP C[C@@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599099 1118574665 /nfs/dbraw/zinc/57/46/65/1118574665.db2.gz GTTKIZMYUFNTIB-NVXWUHKLSA-N 2 2 357.473 4.223 20 0 FIADLP COc1ccc(C[C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000151694500 1118960513 /nfs/dbraw/zinc/96/05/13/1118960513.db2.gz WPHRPEZHLNMVIP-DLBZAZTESA-N 2 2 365.477 4.171 20 0 FIADLP C[N@H+](Cc1csc2ccccc12)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174657366 1119140011 /nfs/dbraw/zinc/14/00/11/1119140011.db2.gz CPNIOYPWRHDKKE-UHFFFAOYSA-N 2 2 365.546 4.435 20 0 FIADLP C[N@@H+](Cc1csc2ccccc12)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174657366 1119140017 /nfs/dbraw/zinc/14/00/17/1119140017.db2.gz CPNIOYPWRHDKKE-UHFFFAOYSA-N 2 2 365.546 4.435 20 0 FIADLP CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(-n3cc[nH+]c3)cs1)CCC2 ZINC000542464221 1119184459 /nfs/dbraw/zinc/18/44/59/1119184459.db2.gz CJWFJQPPEGPEHN-INIZCTEOSA-N 2 2 358.536 4.462 20 0 FIADLP CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(-n3cc[nH+]c3)cs1)CCC2 ZINC000542464221 1119184460 /nfs/dbraw/zinc/18/44/60/1119184460.db2.gz CJWFJQPPEGPEHN-INIZCTEOSA-N 2 2 358.536 4.462 20 0 FIADLP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4nc5ccccc5s4)C[C@@H]3C2)cc1 ZINC000312100208 1119400076 /nfs/dbraw/zinc/40/00/76/1119400076.db2.gz HBWVHDLLWQGXJW-OALUTQOASA-N 2 2 363.530 4.250 20 0 FIADLP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4nc5ccccc5s4)C[C@@H]3C2)cc1 ZINC000312100208 1119400081 /nfs/dbraw/zinc/40/00/81/1119400081.db2.gz HBWVHDLLWQGXJW-OALUTQOASA-N 2 2 363.530 4.250 20 0 FIADLP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4nc5ccccc5s4)C[C@@H]3C2)cc1 ZINC000312100208 1119400084 /nfs/dbraw/zinc/40/00/84/1119400084.db2.gz HBWVHDLLWQGXJW-OALUTQOASA-N 2 2 363.530 4.250 20 0 FIADLP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4nc5ccccc5s4)C[C@@H]3C2)cc1 ZINC000312100208 1119400088 /nfs/dbraw/zinc/40/00/88/1119400088.db2.gz HBWVHDLLWQGXJW-OALUTQOASA-N 2 2 363.530 4.250 20 0 FIADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000178782191 1119408559 /nfs/dbraw/zinc/40/85/59/1119408559.db2.gz WSUAJOKJVLRKCW-UHFFFAOYSA-N 3 2 369.553 4.264 20 0 FIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000178782191 1119408565 /nfs/dbraw/zinc/40/85/65/1119408565.db2.gz WSUAJOKJVLRKCW-UHFFFAOYSA-N 3 2 369.553 4.264 20 0 FIADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000178782191 1119408568 /nfs/dbraw/zinc/40/85/68/1119408568.db2.gz WSUAJOKJVLRKCW-UHFFFAOYSA-N 2 2 369.553 4.264 20 0 FIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000178782191 1119408572 /nfs/dbraw/zinc/40/85/72/1119408572.db2.gz WSUAJOKJVLRKCW-UHFFFAOYSA-N 2 2 369.553 4.264 20 0 FIADLP COc1ccccc1C[NH+]1CCC([NH2+][C@H](C)Cc2cccc(F)c2)CC1 ZINC001168456796 1119414091 /nfs/dbraw/zinc/41/40/91/1119414091.db2.gz WJCUVSKZKBEFGS-QGZVFWFLSA-N 2 2 356.485 4.020 20 0 FIADLP FC(F)(F)C1CCC(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000186587167 1119738540 /nfs/dbraw/zinc/73/85/40/1119738540.db2.gz QVIPQRTUKWMALD-UHFFFAOYSA-N 2 2 351.416 4.390 20 0 FIADLP Clc1cc(C[NH2+]CCCCNc2cccc[nH+]2)ccc1Br ZINC000494305906 1119825172 /nfs/dbraw/zinc/82/51/72/1119825172.db2.gz BGNYEUYUIRVEQU-UHFFFAOYSA-N 2 2 368.706 4.479 20 0 FIADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000189960543 1119921823 /nfs/dbraw/zinc/92/18/23/1119921823.db2.gz KKWADMIRCCEZQP-HZPDHXFCSA-N 2 2 367.468 4.213 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Br)c(Cl)s2)CC[N@@H+]1C ZINC000191398986 1119974939 /nfs/dbraw/zinc/97/49/39/1119974939.db2.gz QTSWVIZOIZTCDU-ZJUUUORDSA-N 2 2 351.741 4.079 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Br)c(Cl)s2)CC[N@H+]1C ZINC000191398986 1119974940 /nfs/dbraw/zinc/97/49/40/1119974940.db2.gz QTSWVIZOIZTCDU-ZJUUUORDSA-N 2 2 351.741 4.079 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Br)c(Cl)s2)CC[NH+]1C ZINC000191398986 1119974943 /nfs/dbraw/zinc/97/49/43/1119974943.db2.gz QTSWVIZOIZTCDU-ZJUUUORDSA-N 2 2 351.741 4.079 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)c(Cl)s2)CC[NH+]1C ZINC000191398986 1119974945 /nfs/dbraw/zinc/97/49/45/1119974945.db2.gz QTSWVIZOIZTCDU-ZJUUUORDSA-N 2 2 351.741 4.079 20 0 FIADLP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccc(Cl)cc1 ZINC000193993603 1120227154 /nfs/dbraw/zinc/22/71/54/1120227154.db2.gz VLEVJKAWMPSCBI-IBGZPJMESA-N 2 2 373.859 4.451 20 0 FIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](c3ccco3)c3ccccc3)[nH+]c2)C1 ZINC000542501389 1120232898 /nfs/dbraw/zinc/23/28/98/1120232898.db2.gz WVXFRXWOCRPPQN-DENIHFKCSA-N 2 2 362.477 4.016 20 0 FIADLP Clc1ccccc1C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000494936825 1120388414 /nfs/dbraw/zinc/38/84/14/1120388414.db2.gz CLUAEBWMRJBWNZ-RDJZCZTQSA-N 2 2 357.910 4.486 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542530410 1120416621 /nfs/dbraw/zinc/41/66/21/1120416621.db2.gz FLGDLEWRFMHMLS-APWZRJJASA-N 2 2 353.510 4.393 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542530410 1120416623 /nfs/dbraw/zinc/41/66/23/1120416623.db2.gz FLGDLEWRFMHMLS-APWZRJJASA-N 2 2 353.510 4.393 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cnc(-c4ccco4)s3)C2)CC1 ZINC000494999525 1120418687 /nfs/dbraw/zinc/41/86/87/1120418687.db2.gz UVCOCGZXFFFYEY-KRWDZBQOSA-N 2 2 359.539 4.347 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cnc(-c4ccco4)s3)C2)CC1 ZINC000494999525 1120418688 /nfs/dbraw/zinc/41/86/88/1120418688.db2.gz UVCOCGZXFFFYEY-KRWDZBQOSA-N 2 2 359.539 4.347 20 0 FIADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000495020905 1120437106 /nfs/dbraw/zinc/43/71/06/1120437106.db2.gz VJIKHTAKISCSJV-SFHVURJKSA-N 2 2 372.557 4.083 20 0 FIADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000495020905 1120437111 /nfs/dbraw/zinc/43/71/11/1120437111.db2.gz VJIKHTAKISCSJV-SFHVURJKSA-N 2 2 372.557 4.083 20 0 FIADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc(Br)ncc1F ZINC000762737702 1120956872 /nfs/dbraw/zinc/95/68/72/1120956872.db2.gz TVIKMEYYXJXZIU-HZSPNIEDSA-N 2 2 372.326 4.002 20 0 FIADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cc(Br)ncc1F ZINC000762737702 1120956873 /nfs/dbraw/zinc/95/68/73/1120956873.db2.gz TVIKMEYYXJXZIU-HZSPNIEDSA-N 2 2 372.326 4.002 20 0 FIADLP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc(Br)ncc1F ZINC000762737707 1120957007 /nfs/dbraw/zinc/95/70/07/1120957007.db2.gz TVIKMEYYXJXZIU-MGPQQGTHSA-N 2 2 372.326 4.002 20 0 FIADLP CC(C)[NH+](CCC[NH2+][C@H](C)c1cc(Br)ncc1F)C(C)C ZINC000762753280 1120958218 /nfs/dbraw/zinc/95/82/18/1120958218.db2.gz FHOSGFXHWUFHQY-CYBMUJFWSA-N 2 2 360.315 4.143 20 0 FIADLP Cc1ccc(OC(F)F)c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000237771448 1120983552 /nfs/dbraw/zinc/98/35/52/1120983552.db2.gz BRSQHXYWARGLFD-UHFFFAOYSA-N 2 2 374.475 4.393 20 0 FIADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000397978786 1121329790 /nfs/dbraw/zinc/32/97/90/1121329790.db2.gz LPNUTOCIQMSASI-WZONZLPQSA-N 2 2 365.521 4.350 20 0 FIADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000397978786 1121329799 /nfs/dbraw/zinc/32/97/99/1121329799.db2.gz LPNUTOCIQMSASI-WZONZLPQSA-N 2 2 365.521 4.350 20 0 FIADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc1 ZINC000282173636 1121342816 /nfs/dbraw/zinc/34/28/16/1121342816.db2.gz VHNXGFIHZMJCOO-AWEZNQCLSA-N 2 2 364.415 4.013 20 0 FIADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc1 ZINC000282173636 1121342823 /nfs/dbraw/zinc/34/28/23/1121342823.db2.gz VHNXGFIHZMJCOO-AWEZNQCLSA-N 2 2 364.415 4.013 20 0 FIADLP C[C@@H](C[NH2+]Cc1ccccc1OCc1ccc(F)cc1F)Cn1cc[nH+]c1 ZINC001649101926 1121798182 /nfs/dbraw/zinc/79/81/82/1121798182.db2.gz RRTNSYOVXLGJEF-INIZCTEOSA-N 2 2 371.431 4.166 20 0 FIADLP COc1ccc(Cl)cc1C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000916835220 1121877486 /nfs/dbraw/zinc/87/74/86/1121877486.db2.gz RPJXWHBFJAWPMI-UHFFFAOYSA-N 2 2 358.913 4.411 20 0 FIADLP CCc1noc(C2CCC([NH2+]C[C@H](c3ccccc3)[NH+](CC)CC)CC2)n1 ZINC000497858471 1122443553 /nfs/dbraw/zinc/44/35/53/1122443553.db2.gz PNZUIVVMQNUOBK-SOAGJPPSSA-N 2 2 370.541 4.331 20 0 FIADLP CC[N@@H+](Cc1ccc2ncccc2c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000129247213 1122560374 /nfs/dbraw/zinc/56/03/74/1122560374.db2.gz PZSQENYSEMGCKE-UHFFFAOYSA-N 2 2 360.505 4.368 20 0 FIADLP CC[N@H+](Cc1ccc2ncccc2c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000129247213 1122560377 /nfs/dbraw/zinc/56/03/77/1122560377.db2.gz PZSQENYSEMGCKE-UHFFFAOYSA-N 2 2 360.505 4.368 20 0 FIADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000129247116 1122560586 /nfs/dbraw/zinc/56/05/86/1122560586.db2.gz DBIQWXQUNCUVLJ-IRXDYDNUSA-N 2 2 351.416 4.185 20 0 FIADLP Brc1cc2c(s1)CC[C@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000556094426 1122648825 /nfs/dbraw/zinc/64/88/25/1122648825.db2.gz UMECRKSJUPEBJF-OAHLLOKOSA-N 2 2 374.307 4.473 20 0 FIADLP Cn1c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)nc2cccc(Cl)c21 ZINC000556178060 1122717085 /nfs/dbraw/zinc/71/70/85/1122717085.db2.gz UCKJUAHOEJRJTB-QFBILLFUSA-N 2 2 368.912 4.152 20 0 FIADLP Cn1c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)nc2cccc(Cl)c21 ZINC000556178060 1122717091 /nfs/dbraw/zinc/71/70/91/1122717091.db2.gz UCKJUAHOEJRJTB-QFBILLFUSA-N 2 2 368.912 4.152 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)CC1 ZINC000498878412 1123058534 /nfs/dbraw/zinc/05/85/34/1123058534.db2.gz ACWDSYULEQHUPY-GOSISDBHSA-N 2 2 371.500 4.425 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)CC1 ZINC000498878412 1123058537 /nfs/dbraw/zinc/05/85/37/1123058537.db2.gz ACWDSYULEQHUPY-GOSISDBHSA-N 2 2 371.500 4.425 20 0 FIADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)C1 ZINC000920181226 1123398104 /nfs/dbraw/zinc/39/81/04/1123398104.db2.gz MGYKJCPATGFUOD-SFHVURJKSA-N 2 2 374.960 4.272 20 0 FIADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)C1 ZINC000920181226 1123398107 /nfs/dbraw/zinc/39/81/07/1123398107.db2.gz MGYKJCPATGFUOD-SFHVURJKSA-N 2 2 374.960 4.272 20 0 FIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nc2c(s1)CCC2 ZINC000134924752 1123694943 /nfs/dbraw/zinc/69/49/43/1123694943.db2.gz LUXGGIQCQSVKGK-BPIHKTFHSA-N 2 2 367.562 4.478 20 0 FIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nc2c(s1)CCC2 ZINC000134924752 1123694947 /nfs/dbraw/zinc/69/49/47/1123694947.db2.gz LUXGGIQCQSVKGK-BPIHKTFHSA-N 2 2 367.562 4.478 20 0 FIADLP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000134947040 1123698106 /nfs/dbraw/zinc/69/81/06/1123698106.db2.gz VKXFBLYMBIKMQA-UYAOXDASSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1ccc(-c2cnc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000134947040 1123698108 /nfs/dbraw/zinc/69/81/08/1123698108.db2.gz VKXFBLYMBIKMQA-UYAOXDASSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1ccc(-c2cnc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000134947040 1123698116 /nfs/dbraw/zinc/69/81/16/1123698116.db2.gz VKXFBLYMBIKMQA-UYAOXDASSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1ccc(-c2cnc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000134947040 1123698120 /nfs/dbraw/zinc/69/81/20/1123698120.db2.gz VKXFBLYMBIKMQA-UYAOXDASSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)o2)cc1 ZINC000136585731 1123911513 /nfs/dbraw/zinc/91/15/13/1123911513.db2.gz ZJFRKMWMVIMCKO-FCHUYYIVSA-N 2 2 368.521 4.113 20 0 FIADLP C[C@@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000245605522 1124138068 /nfs/dbraw/zinc/13/80/68/1124138068.db2.gz NEOHMHSXYGAUGF-IUODEOHRSA-N 2 2 364.371 4.126 20 0 FIADLP C[C@@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000245605522 1124138070 /nfs/dbraw/zinc/13/80/70/1124138070.db2.gz NEOHMHSXYGAUGF-IUODEOHRSA-N 2 2 364.371 4.126 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000474798157 1124348212 /nfs/dbraw/zinc/34/82/12/1124348212.db2.gz WSUVGUHILHEBJR-QQFBHYJXSA-N 2 2 364.496 4.223 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2csc(N(C)C3CC3)n2)cc1 ZINC000542881477 1124709181 /nfs/dbraw/zinc/70/91/81/1124709181.db2.gz QLUDLSRIUIRJSV-AWEZNQCLSA-N 2 2 367.522 4.087 20 0 FIADLP Cc1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)oc1-c1ccc(Cl)cc1 ZINC000248171646 1124748525 /nfs/dbraw/zinc/74/85/25/1124748525.db2.gz UXGQUCMHUYTOIM-FUHWJXTLSA-N 2 2 359.901 4.220 20 0 FIADLP Cc1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)oc1-c1ccc(Cl)cc1 ZINC000248171646 1124748530 /nfs/dbraw/zinc/74/85/30/1124748530.db2.gz UXGQUCMHUYTOIM-FUHWJXTLSA-N 2 2 359.901 4.220 20 0 FIADLP Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)oc1-c1ccc(Cl)cc1 ZINC000248171646 1124748534 /nfs/dbraw/zinc/74/85/34/1124748534.db2.gz UXGQUCMHUYTOIM-FUHWJXTLSA-N 2 2 359.901 4.220 20 0 FIADLP Cc1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)oc1-c1ccc(Cl)cc1 ZINC000248171646 1124748537 /nfs/dbraw/zinc/74/85/37/1124748537.db2.gz UXGQUCMHUYTOIM-FUHWJXTLSA-N 2 2 359.901 4.220 20 0 FIADLP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Nc1ccccc1 ZINC000248200243 1124750457 /nfs/dbraw/zinc/75/04/57/1124750457.db2.gz YLPMHIVAWFRROW-PMOQBDJRSA-N 2 2 366.553 4.018 20 0 FIADLP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Nc1ccccc1 ZINC000248200243 1124750460 /nfs/dbraw/zinc/75/04/60/1124750460.db2.gz YLPMHIVAWFRROW-PMOQBDJRSA-N 2 2 366.553 4.018 20 0 FIADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C(C)C ZINC000248697714 1124802408 /nfs/dbraw/zinc/80/24/08/1124802408.db2.gz LPIIEFABZOQSNQ-WFXMLNOXSA-N 2 2 354.542 4.476 20 0 FIADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C(C)C ZINC000248697714 1124802411 /nfs/dbraw/zinc/80/24/11/1124802411.db2.gz LPIIEFABZOQSNQ-WFXMLNOXSA-N 2 2 354.542 4.476 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000249279101 1124851758 /nfs/dbraw/zinc/85/17/58/1124851758.db2.gz KKWADMIRCCEZQP-BRLLKYFNSA-N 2 2 367.468 4.213 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000249279101 1124851761 /nfs/dbraw/zinc/85/17/61/1124851761.db2.gz KKWADMIRCCEZQP-BRLLKYFNSA-N 2 2 367.468 4.213 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000089543364 1124914670 /nfs/dbraw/zinc/91/46/70/1124914670.db2.gz FODLMMJESWUJDO-OAHLLOKOSA-N 2 2 357.404 4.367 20 0 FIADLP Brc1cscc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309681818 1124973047 /nfs/dbraw/zinc/97/30/47/1124973047.db2.gz BCULQRVTTUZRPF-HNNXBMFYSA-N 2 2 365.340 4.122 20 0 FIADLP Brc1cscc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309681818 1124973051 /nfs/dbraw/zinc/97/30/51/1124973051.db2.gz BCULQRVTTUZRPF-HNNXBMFYSA-N 2 2 365.340 4.122 20 0 FIADLP Fc1cc(C(F)(F)F)c(F)cc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000672617039 1125203204 /nfs/dbraw/zinc/20/32/04/1125203204.db2.gz CTSRKMNRMRAUNR-UHFFFAOYSA-N 2 2 371.353 4.137 20 0 FIADLP CS[C@@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000922078117 1125291390 /nfs/dbraw/zinc/29/13/90/1125291390.db2.gz XRDHDRXNOKUFGT-PRLABOORSA-N 2 2 350.494 4.056 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1nc2c(s1)CCCC2 ZINC000093404960 1125320544 /nfs/dbraw/zinc/32/05/44/1125320544.db2.gz LYMPQUANRVZUDW-HKUYNNGSSA-N 2 2 369.578 4.237 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1nc2c(s1)CCCC2 ZINC000093404960 1125320547 /nfs/dbraw/zinc/32/05/47/1125320547.db2.gz LYMPQUANRVZUDW-HKUYNNGSSA-N 2 2 369.578 4.237 20 0 FIADLP c1cc(-c2nc3ccccc3s2)oc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093596844 1125452384 /nfs/dbraw/zinc/45/23/84/1125452384.db2.gz RFXQFMNDLVUNDY-INIZCTEOSA-N 2 2 367.518 4.474 20 0 FIADLP c1cc(-c2nc3ccccc3s2)oc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093596844 1125452392 /nfs/dbraw/zinc/45/23/92/1125452392.db2.gz RFXQFMNDLVUNDY-INIZCTEOSA-N 2 2 367.518 4.474 20 0 FIADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(F)c1 ZINC000390844648 568322874 /nfs/dbraw/zinc/32/28/74/568322874.db2.gz DVOKCHBGGQOHJC-FCHUYYIVSA-N 2 2 356.485 4.158 20 0 FIADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(F)c1 ZINC000390844648 568322875 /nfs/dbraw/zinc/32/28/75/568322875.db2.gz DVOKCHBGGQOHJC-FCHUYYIVSA-N 2 2 356.485 4.158 20 0 FIADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000390852018 568347005 /nfs/dbraw/zinc/34/70/05/568347005.db2.gz IDGQTDQZBDGEEG-FGZHOGPDSA-N 2 2 356.485 4.158 20 0 FIADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000390852018 568347006 /nfs/dbraw/zinc/34/70/06/568347006.db2.gz IDGQTDQZBDGEEG-FGZHOGPDSA-N 2 2 356.485 4.158 20 0 FIADLP C[C@H](CC[NH+]1CCC(C(F)(F)F)CC1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000431599731 568356692 /nfs/dbraw/zinc/35/66/92/568356692.db2.gz JGNPVFJUFBBHKF-GFCCVEGCSA-N 2 2 360.386 4.314 20 0 FIADLP Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000604881744 568383792 /nfs/dbraw/zinc/38/37/92/568383792.db2.gz VKHDMXBMRXZIHQ-UONOGXRCSA-N 2 2 365.399 4.481 20 0 FIADLP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000604881744 568383793 /nfs/dbraw/zinc/38/37/93/568383793.db2.gz VKHDMXBMRXZIHQ-UONOGXRCSA-N 2 2 365.399 4.481 20 0 FIADLP Cc1cc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000606156468 568676411 /nfs/dbraw/zinc/67/64/11/568676411.db2.gz RRHWLOYFLCLDJP-YLJYHZDGSA-N 2 2 350.510 4.152 20 0 FIADLP Cc1cc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000606156468 568676413 /nfs/dbraw/zinc/67/64/13/568676413.db2.gz RRHWLOYFLCLDJP-YLJYHZDGSA-N 2 2 350.510 4.152 20 0 FIADLP CCC[N@H+](C/C(Cl)=C\Cl)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000763549745 1125553859 /nfs/dbraw/zinc/55/38/59/1125553859.db2.gz ZTBQUSWSACWPPF-RVDMUPIBSA-N 2 2 357.329 4.093 20 0 FIADLP CCC[N@@H+](C/C(Cl)=C\Cl)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000763549745 1125553866 /nfs/dbraw/zinc/55/38/66/1125553866.db2.gz ZTBQUSWSACWPPF-RVDMUPIBSA-N 2 2 357.329 4.093 20 0 FIADLP CSc1ccc(OCC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000543061652 1125580851 /nfs/dbraw/zinc/58/08/51/1125580851.db2.gz XQIBFWGQQOCLPQ-UHFFFAOYSA-N 2 2 359.539 4.176 20 0 FIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(SCC(F)F)cc1 ZINC000152738545 1125639944 /nfs/dbraw/zinc/63/99/44/1125639944.db2.gz NZRWREGAWZFCEG-AWEZNQCLSA-N 2 2 365.493 4.470 20 0 FIADLP CCCCOc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1OC ZINC000152815684 1125659339 /nfs/dbraw/zinc/65/93/39/1125659339.db2.gz UGTGYJMJPFDEAH-QGZVFWFLSA-N 2 2 371.525 4.300 20 0 FIADLP CCc1noc(CC)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579711379 1079567499 /nfs/dbraw/zinc/56/74/99/1079567499.db2.gz DWWOMUZKWZXEBR-GOSISDBHSA-N 2 2 353.510 4.086 20 0 FIADLP CCc1noc(CC)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579711379 1079567507 /nfs/dbraw/zinc/56/75/07/1079567507.db2.gz DWWOMUZKWZXEBR-GOSISDBHSA-N 2 2 353.510 4.086 20 0 FIADLP C[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000153357248 1125779643 /nfs/dbraw/zinc/77/96/43/1125779643.db2.gz QYVDOJBCAFDBGZ-QGZVFWFLSA-N 2 2 362.477 4.440 20 0 FIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)s1 ZINC000430196332 1079871503 /nfs/dbraw/zinc/87/15/03/1079871503.db2.gz LUTKVCYCXCKRQG-OAHLLOKOSA-N 2 2 367.971 4.225 20 0 FIADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)s1 ZINC000430196332 1079871512 /nfs/dbraw/zinc/87/15/12/1079871512.db2.gz LUTKVCYCXCKRQG-OAHLLOKOSA-N 2 2 367.971 4.225 20 0 FIADLP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1F ZINC000683229307 1080059414 /nfs/dbraw/zinc/05/94/14/1080059414.db2.gz BHWABEPYMYMQRE-RXVVDRJESA-N 2 2 356.485 4.076 20 0 FIADLP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1F ZINC000683229307 1080059423 /nfs/dbraw/zinc/05/94/23/1080059423.db2.gz BHWABEPYMYMQRE-RXVVDRJESA-N 2 2 356.485 4.076 20 0 FIADLP Cc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc(C)c1OCc1ccccn1 ZINC000179832660 1080326459 /nfs/dbraw/zinc/32/64/59/1080326459.db2.gz ZJDHSAOCIGPEAO-UHFFFAOYSA-N 2 2 367.537 4.240 20 0 FIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H](c2ccccc2)c2ccccn2)[nH+]1 ZINC000180068754 1080434157 /nfs/dbraw/zinc/43/41/57/1080434157.db2.gz AIYKKQJHHSPSSY-DEOSSOPVSA-N 2 2 368.484 4.248 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Br)o1 ZINC000398165707 1080816366 /nfs/dbraw/zinc/81/63/66/1080816366.db2.gz TUZWWDZQUMCFOE-PBHICJAKSA-N 2 2 363.299 4.042 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Br)o1 ZINC000398165707 1080816369 /nfs/dbraw/zinc/81/63/69/1080816369.db2.gz TUZWWDZQUMCFOE-PBHICJAKSA-N 2 2 363.299 4.042 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000655680547 1081108868 /nfs/dbraw/zinc/10/88/68/1081108868.db2.gz PLBOJUONOIQUTF-WCQYABFASA-N 2 2 361.288 4.036 20 0 FIADLP c1ccc(CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000655701307 1081122745 /nfs/dbraw/zinc/12/27/45/1081122745.db2.gz RLXCQQOJTWOZDO-DNQXCXABSA-N 2 2 364.533 4.203 20 0 FIADLP CCOc1ccccc1[C@@H](CC(C)C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655719399 1081138134 /nfs/dbraw/zinc/13/81/34/1081138134.db2.gz SOMGNARIBPRPCI-PZJWPPBQSA-N 2 2 360.542 4.015 20 0 FIADLP Clc1cccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCCC2)c1 ZINC000655734251 1081152173 /nfs/dbraw/zinc/15/21/73/1081152173.db2.gz DBANACYHTWYCBF-LEWJYISDSA-N 2 2 362.945 4.414 20 0 FIADLP Clc1cccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCCC2)c1 ZINC000655734253 1081152285 /nfs/dbraw/zinc/15/22/85/1081152285.db2.gz DBANACYHTWYCBF-RTWAWAEBSA-N 2 2 362.945 4.414 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000655735853 1081153707 /nfs/dbraw/zinc/15/37/07/1081153707.db2.gz KYRKYXMWWDXQLN-VYDXJSESSA-N 2 2 370.459 4.040 20 0 FIADLP Cn1ccnc1[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000651961696 1081218786 /nfs/dbraw/zinc/21/87/86/1081218786.db2.gz JJYABKDLJJIBBD-JOCHJYFZSA-N 2 2 366.553 4.091 20 0 FIADLP C[C@@]1(C[NH2+]Cc2cnc(-c3ccccc3)nc2)CCC[N@@H+]1Cc1ccccc1 ZINC000547969924 1081271463 /nfs/dbraw/zinc/27/14/63/1081271463.db2.gz NHQSSQPNJUDKLR-DEOSSOPVSA-N 2 2 372.516 4.288 20 0 FIADLP C[C@@]1(C[NH2+]Cc2cnc(-c3ccccc3)nc2)CCC[N@H+]1Cc1ccccc1 ZINC000547969924 1081271465 /nfs/dbraw/zinc/27/14/65/1081271465.db2.gz NHQSSQPNJUDKLR-DEOSSOPVSA-N 2 2 372.516 4.288 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1nc(C)cs1 ZINC000150980869 1081273096 /nfs/dbraw/zinc/27/30/96/1081273096.db2.gz ATCKHCRSGWBSHV-LJQANCHMSA-N 2 2 361.530 4.338 20 0 FIADLP CC(C)(CCc1ccccc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001167326826 1081416023 /nfs/dbraw/zinc/41/60/23/1081416023.db2.gz SWRDESFNQIEPDD-HSZRJFAPSA-N 2 2 366.549 4.279 20 0 FIADLP CC(C)(CCc1ccccc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001167326826 1081416026 /nfs/dbraw/zinc/41/60/26/1081416026.db2.gz SWRDESFNQIEPDD-HSZRJFAPSA-N 2 2 366.549 4.279 20 0 FIADLP Clc1c(Br)cccc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000706407610 1081528627 /nfs/dbraw/zinc/52/86/27/1081528627.db2.gz SWBCHUXRLZHKIN-LBPRGKRZSA-N 2 2 357.723 4.067 20 0 FIADLP Clc1c(Br)cccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000706407610 1081528631 /nfs/dbraw/zinc/52/86/31/1081528631.db2.gz SWBCHUXRLZHKIN-LBPRGKRZSA-N 2 2 357.723 4.067 20 0 FIADLP CC[NH+](CC)Cc1cccc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)c1 ZINC000510317857 1081556975 /nfs/dbraw/zinc/55/69/75/1081556975.db2.gz ZTIPOJQSFXZKFT-UHFFFAOYSA-N 2 2 362.477 4.275 20 0 FIADLP CCn1nc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000312936524 1082049462 /nfs/dbraw/zinc/04/94/62/1082049462.db2.gz FRPSIODFFOQICF-ICSRJNTNSA-N 2 2 362.521 4.056 20 0 FIADLP CCn1nc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000312936524 1082049467 /nfs/dbraw/zinc/04/94/67/1082049467.db2.gz FRPSIODFFOQICF-ICSRJNTNSA-N 2 2 362.521 4.056 20 0 FIADLP Cc1ccc([C@H](C[NH2+]Cc2ccccc2-c2ccnn2C)[NH+]2CCCC2)cc1 ZINC000510356837 1082179549 /nfs/dbraw/zinc/17/95/49/1082179549.db2.gz UCGMOKVOVXQRCJ-DEOSSOPVSA-N 2 2 374.532 4.322 20 0 FIADLP FC(F)(F)[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000580983217 1082269134 /nfs/dbraw/zinc/26/91/34/1082269134.db2.gz WMKOEKTWEIWSPD-HNNXBMFYSA-N 2 2 365.424 4.445 20 0 FIADLP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CS2 ZINC000581346262 1082479300 /nfs/dbraw/zinc/47/93/00/1082479300.db2.gz KJWUONVLFJONMT-INIZCTEOSA-N 2 2 367.356 4.060 20 0 FIADLP c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2)cc1 ZINC000581562306 1082666935 /nfs/dbraw/zinc/66/69/35/1082666935.db2.gz HKEIMKUEQDPOGO-HSZRJFAPSA-N 2 2 350.506 4.040 20 0 FIADLP c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2)cc1 ZINC000581562306 1082666938 /nfs/dbraw/zinc/66/69/38/1082666938.db2.gz HKEIMKUEQDPOGO-HSZRJFAPSA-N 2 2 350.506 4.040 20 0 FIADLP CC[NH+]1CCC([N@H+](C)Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 ZINC000077248762 1082779837 /nfs/dbraw/zinc/77/98/37/1082779837.db2.gz AZZXYMONQWVREL-UHFFFAOYSA-N 2 2 356.510 4.141 20 0 FIADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 ZINC000077248762 1082779845 /nfs/dbraw/zinc/77/98/45/1082779845.db2.gz AZZXYMONQWVREL-UHFFFAOYSA-N 2 2 356.510 4.141 20 0 FIADLP C[C@@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581706408 1082828399 /nfs/dbraw/zinc/82/83/99/1082828399.db2.gz KQJJDSDPPSFZPQ-NQIIRXRSSA-N 2 2 360.505 4.077 20 0 FIADLP C[C@@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581706408 1082828411 /nfs/dbraw/zinc/82/84/11/1082828411.db2.gz KQJJDSDPPSFZPQ-NQIIRXRSSA-N 2 2 360.505 4.077 20 0 FIADLP Clc1cc(Cl)c2c(c1)C=C(C[N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CO2 ZINC000510534446 1083144255 /nfs/dbraw/zinc/14/42/55/1083144255.db2.gz PRFZQUIRXJKVNX-ZDUSSCGKSA-N 2 2 364.276 4.372 20 0 FIADLP Clc1cc(Cl)c2c(c1)C=C(C[N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CO2 ZINC000510534446 1083144260 /nfs/dbraw/zinc/14/42/60/1083144260.db2.gz PRFZQUIRXJKVNX-ZDUSSCGKSA-N 2 2 364.276 4.372 20 0 FIADLP CCCCCOc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OC ZINC000510536215 1083145396 /nfs/dbraw/zinc/14/53/96/1083145396.db2.gz XHQKVRYTZVKNAW-SFHVURJKSA-N 2 2 357.498 4.367 20 0 FIADLP CCCCCOc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OC ZINC000510536215 1083145401 /nfs/dbraw/zinc/14/54/01/1083145401.db2.gz XHQKVRYTZVKNAW-SFHVURJKSA-N 2 2 357.498 4.367 20 0 FIADLP Cc1nc(COc2ccc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)cs1 ZINC000510537560 1083147415 /nfs/dbraw/zinc/14/74/15/1083147415.db2.gz ISIVEWQKJFTSRD-KRWDZBQOSA-N 2 2 368.506 4.133 20 0 FIADLP Cc1nc(COc2ccc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)cs1 ZINC000510537560 1083147417 /nfs/dbraw/zinc/14/74/17/1083147417.db2.gz ISIVEWQKJFTSRD-KRWDZBQOSA-N 2 2 368.506 4.133 20 0 FIADLP Brc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000510651062 1083223678 /nfs/dbraw/zinc/22/36/78/1083223678.db2.gz LOBXOERQASEGOS-IBGZPJMESA-N 2 2 368.278 4.412 20 0 FIADLP CC(C)(C)OC(=O)Nc1ccsc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000891842452 1083271773 /nfs/dbraw/zinc/27/17/73/1083271773.db2.gz NHZNBFJWERNBJZ-UHFFFAOYSA-N 2 2 362.499 4.129 20 0 FIADLP C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000510760524 1083298907 /nfs/dbraw/zinc/29/89/07/1083298907.db2.gz CSNSHRKBKDSRRR-HKUYNNGSSA-N 2 2 363.427 4.225 20 0 FIADLP C[N@H+](Cc1ccccc1C(F)(F)F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000510760524 1083298910 /nfs/dbraw/zinc/29/89/10/1083298910.db2.gz CSNSHRKBKDSRRR-HKUYNNGSSA-N 2 2 363.427 4.225 20 0 FIADLP C[NH+](Cc1ccccc1C(F)(F)F)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000510760524 1083298912 /nfs/dbraw/zinc/29/89/12/1083298912.db2.gz CSNSHRKBKDSRRR-HKUYNNGSSA-N 2 2 363.427 4.225 20 0 FIADLP C[NH+](Cc1ccccc1C(F)(F)F)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000510760524 1083298914 /nfs/dbraw/zinc/29/89/14/1083298914.db2.gz CSNSHRKBKDSRRR-HKUYNNGSSA-N 2 2 363.427 4.225 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2cc(OC)ccc2c1 ZINC000658292151 1083395891 /nfs/dbraw/zinc/39/58/91/1083395891.db2.gz OERLWKFXSDNLIT-GGAORHGYSA-N 2 2 368.521 4.142 20 0 FIADLP Clc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)cc1Cl ZINC000658296150 1083397958 /nfs/dbraw/zinc/39/79/58/1083397958.db2.gz XSQAQRYVLPKPIO-QFBILLFUSA-N 2 2 369.336 4.287 20 0 FIADLP Cc1nc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cs1 ZINC000658319079 1083406940 /nfs/dbraw/zinc/40/69/40/1083406940.db2.gz WQKARVVJRJSTGP-LPHOPBHVSA-N 2 2 355.551 4.404 20 0 FIADLP Cc1nc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cs1 ZINC000658319079 1083406944 /nfs/dbraw/zinc/40/69/44/1083406944.db2.gz WQKARVVJRJSTGP-LPHOPBHVSA-N 2 2 355.551 4.404 20 0 FIADLP CCC[N@H+](CCn1cc[nH+]c1C)[C@@H](C)c1ccccc1Br ZINC000535665825 1083450648 /nfs/dbraw/zinc/45/06/48/1083450648.db2.gz MYQFPPZYFBGGGX-AWEZNQCLSA-N 2 2 350.304 4.427 20 0 FIADLP CCC[N@@H+](CCn1cc[nH+]c1C)[C@@H](C)c1ccccc1Br ZINC000535665825 1083450653 /nfs/dbraw/zinc/45/06/53/1083450653.db2.gz MYQFPPZYFBGGGX-AWEZNQCLSA-N 2 2 350.304 4.427 20 0 FIADLP CCOc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1OCC(C)C ZINC000092659295 1083463260 /nfs/dbraw/zinc/46/32/60/1083463260.db2.gz LYYYZYYMKQQFAO-UHFFFAOYSA-N 2 2 357.498 4.154 20 0 FIADLP FC(F)(F)c1nc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC000892462398 1083519812 /nfs/dbraw/zinc/51/98/12/1083519812.db2.gz QIYAJXAPSAMOTJ-UHFFFAOYSA-N 2 2 355.429 4.048 20 0 FIADLP CC(C)n1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000510960186 1083539091 /nfs/dbraw/zinc/53/90/91/1083539091.db2.gz QNLJBAALVOQLQO-RXVVDRJESA-N 2 2 354.542 4.415 20 0 FIADLP CC(C)n1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000510960186 1083539100 /nfs/dbraw/zinc/53/91/00/1083539100.db2.gz QNLJBAALVOQLQO-RXVVDRJESA-N 2 2 354.542 4.415 20 0 FIADLP c1sc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1-c1ccccc1 ZINC000535810586 1083697877 /nfs/dbraw/zinc/69/78/77/1083697877.db2.gz RWZHNCHKTBMCCB-FXAWDEMLSA-N 2 2 353.535 4.259 20 0 FIADLP c1sc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1-c1ccccc1 ZINC000535810586 1083697881 /nfs/dbraw/zinc/69/78/81/1083697881.db2.gz RWZHNCHKTBMCCB-FXAWDEMLSA-N 2 2 353.535 4.259 20 0 FIADLP c1sc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1-c1ccccc1 ZINC000535810586 1083697887 /nfs/dbraw/zinc/69/78/87/1083697887.db2.gz RWZHNCHKTBMCCB-FXAWDEMLSA-N 2 2 353.535 4.259 20 0 FIADLP c1sc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1-c1ccccc1 ZINC000535810586 1083697896 /nfs/dbraw/zinc/69/78/96/1083697896.db2.gz RWZHNCHKTBMCCB-FXAWDEMLSA-N 2 2 353.535 4.259 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181345973 1083877480 /nfs/dbraw/zinc/87/74/80/1083877480.db2.gz WVBSKJMPGYVMIH-INIZCTEOSA-N 2 2 350.466 4.295 20 0 FIADLP Cc1ccc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c(-c2ccnn2C)c1 ZINC000548979200 1084290678 /nfs/dbraw/zinc/29/06/78/1084290678.db2.gz NQCBEVAXMFTVMN-XMMPIXPASA-N 2 2 374.532 4.322 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cc2n(n1)CCC2 ZINC000414081385 1084478296 /nfs/dbraw/zinc/47/82/96/1084478296.db2.gz VFDDDQKEVZMLHQ-QZTJIDSGSA-N 2 2 352.526 4.055 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cc2n(n1)CCC2 ZINC000414081385 1084478304 /nfs/dbraw/zinc/47/83/04/1084478304.db2.gz VFDDDQKEVZMLHQ-QZTJIDSGSA-N 2 2 352.526 4.055 20 0 FIADLP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+](Cc4ccc(F)cc4)CC3)cc21 ZINC000657317364 1084526951 /nfs/dbraw/zinc/52/69/51/1084526951.db2.gz ABLQYUNROFABAZ-UHFFFAOYSA-N 2 2 351.469 4.370 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc(OC3CC3)c2F)cc1F ZINC000657328710 1084586709 /nfs/dbraw/zinc/58/67/09/1084586709.db2.gz CKXBDLSBNIFCRK-UHFFFAOYSA-N 2 2 369.415 4.290 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414114009 1084600461 /nfs/dbraw/zinc/60/04/61/1084600461.db2.gz LITYFVBCALQJAX-HKUYNNGSSA-N 2 2 364.961 4.455 20 0 FIADLP C[C@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000467185400 1084659088 /nfs/dbraw/zinc/65/90/88/1084659088.db2.gz FFKOTSKFTDTLDX-DLBZAZTESA-N 2 2 372.944 4.268 20 0 FIADLP C[C@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000467185400 1084659092 /nfs/dbraw/zinc/65/90/92/1084659092.db2.gz FFKOTSKFTDTLDX-DLBZAZTESA-N 2 2 372.944 4.268 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(C)c1 ZINC000414151957 1084703185 /nfs/dbraw/zinc/70/31/85/1084703185.db2.gz QHHJYDRKOJBYQL-ODIFPOPNSA-N 2 2 370.459 4.460 20 0 FIADLP FC(F)(F)c1ccc(-c2nc(C[NH2+]CCCn3cc[nH+]c3)cs2)cc1 ZINC000066608835 1084757472 /nfs/dbraw/zinc/75/74/72/1084757472.db2.gz VHSNKDUIQUORHG-UHFFFAOYSA-N 2 2 366.412 4.205 20 0 FIADLP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000582268092 1084816747 /nfs/dbraw/zinc/81/67/47/1084816747.db2.gz YMETZCCVNHSLQQ-YJBOKZPZSA-N 2 2 351.332 4.460 20 0 FIADLP C[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000582268092 1084816754 /nfs/dbraw/zinc/81/67/54/1084816754.db2.gz YMETZCCVNHSLQQ-YJBOKZPZSA-N 2 2 351.332 4.460 20 0 FIADLP CC(C)c1nnc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)s1 ZINC000892569947 1084871019 /nfs/dbraw/zinc/87/10/19/1084871019.db2.gz DPHXRJDNESFYLS-MRXNPFEDSA-N 2 2 358.555 4.326 20 0 FIADLP CC(C)c1nnc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)s1 ZINC000892569947 1084871025 /nfs/dbraw/zinc/87/10/25/1084871025.db2.gz DPHXRJDNESFYLS-MRXNPFEDSA-N 2 2 358.555 4.326 20 0 FIADLP COC(=O)c1csc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001167573342 1084992877 /nfs/dbraw/zinc/99/28/77/1084992877.db2.gz UVBUHRUEIDNFIJ-VQIMIIECSA-N 2 2 372.534 4.020 20 0 FIADLP COC(=O)c1csc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001167573342 1084992881 /nfs/dbraw/zinc/99/28/81/1084992881.db2.gz UVBUHRUEIDNFIJ-VQIMIIECSA-N 2 2 372.534 4.020 20 0 FIADLP COC(=O)c1csc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001167573342 1084992883 /nfs/dbraw/zinc/99/28/83/1084992883.db2.gz UVBUHRUEIDNFIJ-VQIMIIECSA-N 2 2 372.534 4.020 20 0 FIADLP COC(=O)c1csc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001167573342 1084992884 /nfs/dbraw/zinc/99/28/84/1084992884.db2.gz UVBUHRUEIDNFIJ-VQIMIIECSA-N 2 2 372.534 4.020 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2c3ccc(F)cc3O[C@H]2C)cc1 ZINC000582505177 1085079925 /nfs/dbraw/zinc/07/99/25/1085079925.db2.gz SWDCNLLTQHGZJN-DGCWBMGLSA-N 2 2 351.425 4.493 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000582517967 1085089605 /nfs/dbraw/zinc/08/96/05/1085089605.db2.gz FVLMQODWGMLJJA-OAHLLOKOSA-N 2 2 361.892 4.232 20 0 FIADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000548740330 1085092458 /nfs/dbraw/zinc/09/24/58/1085092458.db2.gz GJJNUHQIJOWCEG-UHFFFAOYSA-N 2 2 366.440 4.106 20 0 FIADLP Clc1ccccc1N1CC[C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000657537940 1085460507 /nfs/dbraw/zinc/46/05/07/1085460507.db2.gz ILHRLFCCMBSKGR-OAHLLOKOSA-N 2 2 372.925 4.203 20 0 FIADLP CCCC[N@H+](C)CC1CC[NH+](Cc2csc([C@H](C)OCC)n2)CC1 ZINC000076730447 1085587958 /nfs/dbraw/zinc/58/79/58/1085587958.db2.gz NJUOAZGLSJIPJR-INIZCTEOSA-N 2 2 353.576 4.185 20 0 FIADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2csc([C@H](C)OCC)n2)CC1 ZINC000076730447 1085587964 /nfs/dbraw/zinc/58/79/64/1085587964.db2.gz NJUOAZGLSJIPJR-INIZCTEOSA-N 2 2 353.576 4.185 20 0 FIADLP COc1cc2cccnc2c(N(c2cc[nH+]c(C)c2F)[C@H](C)CCC[NH3+])c1 ZINC001167615930 1085712422 /nfs/dbraw/zinc/71/24/22/1085712422.db2.gz YWHBZSDGPLCNTB-CQSZACIVSA-N 2 2 368.456 4.351 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCSc2ccc(Cl)cc2)CC1 ZINC000582805287 1085745351 /nfs/dbraw/zinc/74/53/51/1085745351.db2.gz JUDRIYYLFICOPO-UHFFFAOYSA-N 2 2 366.880 4.439 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1sccc1Br ZINC000582873374 1085862647 /nfs/dbraw/zinc/86/26/47/1085862647.db2.gz RANAACRUNHDQAS-UHFFFAOYSA-N 2 2 356.333 4.182 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1sccc1Br ZINC000582873374 1085862656 /nfs/dbraw/zinc/86/26/56/1085862656.db2.gz RANAACRUNHDQAS-UHFFFAOYSA-N 2 2 356.333 4.182 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+]CCn2c3ccccc3c3ccccc32)s1 ZINC000511942105 1086025390 /nfs/dbraw/zinc/02/53/90/1086025390.db2.gz KLHABWPMRMIYIT-UHFFFAOYSA-N 2 2 364.518 4.102 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncc(-c2ccccc2)s1 ZINC000583232059 1086444679 /nfs/dbraw/zinc/44/46/79/1086444679.db2.gz QQIBBYFRMMJVJW-UHFFFAOYSA-N 2 2 354.523 4.481 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncc(-c2ccccc2)s1 ZINC000583232059 1086444694 /nfs/dbraw/zinc/44/46/94/1086444694.db2.gz QQIBBYFRMMJVJW-UHFFFAOYSA-N 2 2 354.523 4.481 20 0 FIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728562367 1086550008 /nfs/dbraw/zinc/55/00/08/1086550008.db2.gz MXVFJBSMEPSSRA-IAGOWNOFSA-N 2 2 365.591 4.059 20 0 FIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728562367 1086550014 /nfs/dbraw/zinc/55/00/14/1086550014.db2.gz MXVFJBSMEPSSRA-IAGOWNOFSA-N 2 2 365.591 4.059 20 0 FIADLP c1ccc(NC2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)[nH+]c1 ZINC000663471415 1086577564 /nfs/dbraw/zinc/57/75/64/1086577564.db2.gz FEOBEQYZILYZSC-UHFFFAOYSA-N 3 2 364.537 4.144 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccccc2C(F)(F)F)cn1 ZINC000126401258 1086617494 /nfs/dbraw/zinc/61/74/94/1086617494.db2.gz NRRAQNITKGGRJN-CYBMUJFWSA-N 2 2 360.383 4.445 20 0 FIADLP CC[NH+](CC)CCC[C@@H](C)[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001167834492 1086683129 /nfs/dbraw/zinc/68/31/29/1086683129.db2.gz KPSZLRLRRFLATI-LJQANCHMSA-N 3 2 363.565 4.232 20 0 FIADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001167834492 1086683132 /nfs/dbraw/zinc/68/31/32/1086683132.db2.gz KPSZLRLRRFLATI-LJQANCHMSA-N 3 2 363.565 4.232 20 0 FIADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000236824866 1086703564 /nfs/dbraw/zinc/70/35/64/1086703564.db2.gz UQWGOZCBXCHCFO-ZDUSSCGKSA-N 2 2 369.456 4.260 20 0 FIADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000236824866 1086703572 /nfs/dbraw/zinc/70/35/72/1086703572.db2.gz UQWGOZCBXCHCFO-ZDUSSCGKSA-N 2 2 369.456 4.260 20 0 FIADLP C[NH2+]Cc1ccccc1C[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000650719215 1086801083 /nfs/dbraw/zinc/80/10/83/1086801083.db2.gz IBLFOZSEWNHTOZ-UHFFFAOYSA-N 2 2 367.518 4.040 20 0 FIADLP Fc1ccccc1-c1nc2c(s1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCC2 ZINC000151130208 1086945629 /nfs/dbraw/zinc/94/56/29/1086945629.db2.gz WYKSZTFWKOAKIM-INIZCTEOSA-N 2 2 356.470 4.203 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000427843439 1086963345 /nfs/dbraw/zinc/96/33/45/1086963345.db2.gz TUCPLRYKWXHNNU-AUSIDOKSSA-N 2 2 369.528 4.434 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000427843439 1086963348 /nfs/dbraw/zinc/96/33/48/1086963348.db2.gz TUCPLRYKWXHNNU-AUSIDOKSSA-N 2 2 369.528 4.434 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(OC(F)F)cc1 ZINC000151353461 1087094712 /nfs/dbraw/zinc/09/47/12/1087094712.db2.gz DZAWZZUZDCBAPS-HNNXBMFYSA-N 2 2 357.404 4.384 20 0 FIADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)CCO2 ZINC000584290951 1087250417 /nfs/dbraw/zinc/25/04/17/1087250417.db2.gz QTBHESLNFVARGX-CTNGQTDRSA-N 2 2 366.480 4.436 20 0 FIADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)CCO2 ZINC000584290951 1087250419 /nfs/dbraw/zinc/25/04/19/1087250419.db2.gz QTBHESLNFVARGX-CTNGQTDRSA-N 2 2 366.480 4.436 20 0 FIADLP COc1ccccc1[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000089554999 1087396548 /nfs/dbraw/zinc/39/65/48/1087396548.db2.gz GOKQCVRFNFSVBV-XMMPIXPASA-N 2 2 373.500 4.438 20 0 FIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(O)cc2)cc1 ZINC000685451276 1087571276 /nfs/dbraw/zinc/57/12/76/1087571276.db2.gz YUYMVBUCKXGMQA-UHFFFAOYSA-N 2 2 365.477 4.080 20 0 FIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(O)cc2)cc1 ZINC000685451276 1087571279 /nfs/dbraw/zinc/57/12/79/1087571279.db2.gz YUYMVBUCKXGMQA-UHFFFAOYSA-N 2 2 365.477 4.080 20 0 FIADLP Brc1ccc(-c2ccc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)o2)cc1 ZINC000685629867 1087649073 /nfs/dbraw/zinc/64/90/73/1087649073.db2.gz IOEYUQPCWYYQSO-AWEZNQCLSA-N 2 2 372.266 4.079 20 0 FIADLP Cn1c[nH+]cc1CNc1cccc(C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000424199409 1087843184 /nfs/dbraw/zinc/84/31/84/1087843184.db2.gz FHWMSLUPIMIHHP-UHFFFAOYSA-N 2 2 360.505 4.412 20 0 FIADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000424261416 1087883229 /nfs/dbraw/zinc/88/32/29/1087883229.db2.gz FATRVJJGJOQMCM-INIZCTEOSA-N 2 2 374.912 4.032 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](Cc1ccncc1)c1cccs1)CCC2 ZINC000424311570 1087932716 /nfs/dbraw/zinc/93/27/16/1087932716.db2.gz LBGMJDVATZNXAU-ZWKOTPCHSA-N 2 2 352.507 4.099 20 0 FIADLP CCc1nnc(C[NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)s1 ZINC000892654121 1088111754 /nfs/dbraw/zinc/11/17/54/1088111754.db2.gz OHSFQZVWMQCVQG-UHFFFAOYSA-N 2 2 358.555 4.155 20 0 FIADLP CCc1nnc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)s1 ZINC000892654121 1088111764 /nfs/dbraw/zinc/11/17/64/1088111764.db2.gz OHSFQZVWMQCVQG-UHFFFAOYSA-N 2 2 358.555 4.155 20 0 FIADLP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2csc(COc3ccccc3)n2)cc1 ZINC000414807290 1088164196 /nfs/dbraw/zinc/16/41/96/1088164196.db2.gz IXNUOJFCFKJONM-OAHLLOKOSA-N 2 2 353.491 4.032 20 0 FIADLP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000423363016 1088167702 /nfs/dbraw/zinc/16/77/02/1088167702.db2.gz IRHRLSJLEDFNDP-CKEIUWERSA-N 2 2 367.262 4.130 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCc3c1cccc3Br)CCC2 ZINC000513865070 1088459573 /nfs/dbraw/zinc/45/95/73/1088459573.db2.gz BEUBRSFPMSWDSV-SUMWQHHRSA-N 2 2 360.299 4.109 20 0 FIADLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504040 1088686251 /nfs/dbraw/zinc/68/62/51/1088686251.db2.gz RTALGWKULMKDBV-DYESRHJHSA-N 2 2 355.913 4.176 20 0 FIADLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504040 1088686258 /nfs/dbraw/zinc/68/62/58/1088686258.db2.gz RTALGWKULMKDBV-DYESRHJHSA-N 2 2 355.913 4.176 20 0 FIADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504040 1088686264 /nfs/dbraw/zinc/68/62/64/1088686264.db2.gz RTALGWKULMKDBV-DYESRHJHSA-N 2 2 355.913 4.176 20 0 FIADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504040 1088686269 /nfs/dbraw/zinc/68/62/69/1088686269.db2.gz RTALGWKULMKDBV-DYESRHJHSA-N 2 2 355.913 4.176 20 0 FIADLP Brc1cccc2c1CC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000180563595 1088782274 /nfs/dbraw/zinc/78/22/74/1088782274.db2.gz JPTHDIHTIQLTQJ-GOSISDBHSA-N 2 2 372.310 4.090 20 0 FIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000414848169 1088822656 /nfs/dbraw/zinc/82/26/56/1088822656.db2.gz PTHINTSWVFWPRL-HXUWFJFHSA-N 2 2 352.457 4.129 20 0 FIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000518766256 1088833894 /nfs/dbraw/zinc/83/38/94/1088833894.db2.gz PKTFHHMYWZIAOP-CYBMUJFWSA-N 2 2 360.255 4.084 20 0 FIADLP COc1ccc(Cl)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434666828 1088932200 /nfs/dbraw/zinc/93/22/00/1088932200.db2.gz RTGQCXSPVQNBJJ-UHFFFAOYSA-N 2 2 359.901 4.261 20 0 FIADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000425145495 1088959991 /nfs/dbraw/zinc/95/99/91/1088959991.db2.gz OHYWJFQIHIORRO-OAQYLSRUSA-N 2 2 374.488 4.166 20 0 FIADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CCCc2ccc(F)cc21 ZINC000434726853 1088976544 /nfs/dbraw/zinc/97/65/44/1088976544.db2.gz CXLMRMUGOIXTFJ-NYVOZVTQSA-N 2 2 353.485 4.223 20 0 FIADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CCCc2ccc(F)cc21 ZINC000434726853 1088976548 /nfs/dbraw/zinc/97/65/48/1088976548.db2.gz CXLMRMUGOIXTFJ-NYVOZVTQSA-N 2 2 353.485 4.223 20 0 FIADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@H]1CCCc2ccc(F)cc21 ZINC000434726853 1088976550 /nfs/dbraw/zinc/97/65/50/1088976550.db2.gz CXLMRMUGOIXTFJ-NYVOZVTQSA-N 2 2 353.485 4.223 20 0 FIADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@H]1CCCc2ccc(F)cc21 ZINC000434726853 1088976553 /nfs/dbraw/zinc/97/65/53/1088976553.db2.gz CXLMRMUGOIXTFJ-NYVOZVTQSA-N 2 2 353.485 4.223 20 0 FIADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000281664679 1089039926 /nfs/dbraw/zinc/03/99/26/1089039926.db2.gz QJLCVVLXMHBCJR-YCRPNKLZSA-N 2 2 369.484 4.032 20 0 FIADLP CCn1nc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000312409589 1089063999 /nfs/dbraw/zinc/06/39/99/1089063999.db2.gz FVERTHZESRVZIE-HXUWFJFHSA-N 2 2 362.521 4.058 20 0 FIADLP CCn1nc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000312409589 1089064011 /nfs/dbraw/zinc/06/40/11/1089064011.db2.gz FVERTHZESRVZIE-HXUWFJFHSA-N 2 2 362.521 4.058 20 0 FIADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163697861 1089088835 /nfs/dbraw/zinc/08/88/35/1089088835.db2.gz RMGHROPQNRUIQJ-INIZCTEOSA-N 2 2 373.566 4.258 20 0 FIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000415063949 1089104987 /nfs/dbraw/zinc/10/49/87/1089104987.db2.gz JIBATGKSCLLMEE-LAUBAEHRSA-N 2 2 367.537 4.379 20 0 FIADLP Clc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000415060821 1089110020 /nfs/dbraw/zinc/11/00/20/1089110020.db2.gz YXGKIUHMSSGNHY-CRAIPNDOSA-N 2 2 361.942 4.428 20 0 FIADLP Clc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000415060821 1089110031 /nfs/dbraw/zinc/11/00/31/1089110031.db2.gz YXGKIUHMSSGNHY-CRAIPNDOSA-N 2 2 361.942 4.428 20 0 FIADLP Brc1cc2c(s1)CC[C@@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000514619603 1089275771 /nfs/dbraw/zinc/27/57/71/1089275771.db2.gz MGOPCTUGWQASQQ-AWEZNQCLSA-N 2 2 374.307 4.473 20 0 FIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000514888378 1089576132 /nfs/dbraw/zinc/57/61/32/1089576132.db2.gz SXYSHTQVWNLKDB-GOSISDBHSA-N 2 2 352.507 4.035 20 0 FIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000514888378 1089576146 /nfs/dbraw/zinc/57/61/46/1089576146.db2.gz SXYSHTQVWNLKDB-GOSISDBHSA-N 2 2 352.507 4.035 20 0 FIADLP CC(C)Oc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435395859 1089602165 /nfs/dbraw/zinc/60/21/65/1089602165.db2.gz VKCGWXUKINYFJN-OAQYLSRUSA-N 2 2 353.510 4.013 20 0 FIADLP CC(C)Oc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435395859 1089602171 /nfs/dbraw/zinc/60/21/71/1089602171.db2.gz VKCGWXUKINYFJN-OAQYLSRUSA-N 2 2 353.510 4.013 20 0 FIADLP CC(C)Oc1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435424055 1089643285 /nfs/dbraw/zinc/64/32/85/1089643285.db2.gz XQFRSJSIPLFQET-IBGZPJMESA-N 2 2 371.550 4.075 20 0 FIADLP CC(C)Oc1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435424055 1089643293 /nfs/dbraw/zinc/64/32/93/1089643293.db2.gz XQFRSJSIPLFQET-IBGZPJMESA-N 2 2 371.550 4.075 20 0 FIADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000390572012 1091272584 /nfs/dbraw/zinc/27/25/84/1091272584.db2.gz OOUGTWAETNJVFX-PKOBYXMFSA-N 2 2 358.551 4.252 20 0 FIADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000390572012 1091272593 /nfs/dbraw/zinc/27/25/93/1091272593.db2.gz OOUGTWAETNJVFX-PKOBYXMFSA-N 2 2 358.551 4.252 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000500372941 1091379443 /nfs/dbraw/zinc/37/94/43/1091379443.db2.gz QPXJSYLERQYCKD-QMHWCDLVSA-N 2 2 364.537 4.318 20 0 FIADLP Clc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(Br)c1 ZINC000512364171 1092164179 /nfs/dbraw/zinc/16/41/79/1092164179.db2.gz AKYLXTCHYLQJNQ-UHFFFAOYSA-N 2 2 354.679 4.205 20 0 FIADLP Clc1ccc(C[C@]2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCOC2)cc1 ZINC000500525860 1092186909 /nfs/dbraw/zinc/18/69/09/1092186909.db2.gz IRMHCUXNMALWIU-OAQYLSRUSA-N 2 2 367.880 4.017 20 0 FIADLP Clc1ccc(Br)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000512379798 1092193337 /nfs/dbraw/zinc/19/33/37/1092193337.db2.gz PKPAKHCJGXGGJY-UHFFFAOYSA-N 2 2 354.679 4.205 20 0 FIADLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OCc1cccs1 ZINC000432799415 1092423980 /nfs/dbraw/zinc/42/39/80/1092423980.db2.gz XFMSQZXCXXIYHG-GOSISDBHSA-N 2 2 374.550 4.252 20 0 FIADLP COc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OCc1cccs1 ZINC000432799415 1092423990 /nfs/dbraw/zinc/42/39/90/1092423990.db2.gz XFMSQZXCXXIYHG-GOSISDBHSA-N 2 2 374.550 4.252 20 0 FIADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000665282211 1092598374 /nfs/dbraw/zinc/59/83/74/1092598374.db2.gz TUXGMRSJZALUEM-WBVHZDCISA-N 2 2 351.288 4.095 20 0 FIADLP COCCC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000442711940 1092735204 /nfs/dbraw/zinc/73/52/04/1092735204.db2.gz TTXRCBLVWOQANN-QFIPXVFZSA-N 2 2 367.468 4.328 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000549820688 1092847638 /nfs/dbraw/zinc/84/76/38/1092847638.db2.gz HNWVYBLSOKULGQ-HXUWFJFHSA-N 2 2 370.859 4.300 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000549820688 1092847642 /nfs/dbraw/zinc/84/76/42/1092847642.db2.gz HNWVYBLSOKULGQ-HXUWFJFHSA-N 2 2 370.859 4.300 20 0 FIADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)N(C)C ZINC000443002929 1092910256 /nfs/dbraw/zinc/91/02/56/1092910256.db2.gz UFDQOUPSAJYEOC-JXFKEZNVSA-N 2 2 354.523 4.023 20 0 FIADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(Sc3ccccn3)o2)cc1F ZINC000428274899 1093096383 /nfs/dbraw/zinc/09/63/83/1093096383.db2.gz STTOMWOGCLGADL-UHFFFAOYSA-N 2 2 371.481 4.316 20 0 FIADLP COc1cc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)ccc1OC(F)F ZINC000152228740 1093201397 /nfs/dbraw/zinc/20/13/97/1093201397.db2.gz DCGUHAVBCYCKNP-CQSZACIVSA-N 2 2 373.403 4.333 20 0 FIADLP CC[NH+](CC)[C@H](C[NH2+]Cc1ccccc1-c1ccnn1C)c1ccccc1 ZINC000509617068 1093206415 /nfs/dbraw/zinc/20/64/15/1093206415.db2.gz KOMQWTTVXGGROP-HSZRJFAPSA-N 2 2 362.521 4.260 20 0 FIADLP COc1ccc(C2CCC([NH2+]C[C@H]3CCCn4cc(C)[nH+]c43)CC2)cc1 ZINC000544357253 1093273900 /nfs/dbraw/zinc/27/39/00/1093273900.db2.gz ZHLWGVGWEMWXIQ-SKINQDTJSA-N 2 2 353.510 4.394 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C)cc(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000512781964 1093332166 /nfs/dbraw/zinc/33/21/66/1093332166.db2.gz AOFQCQSHSPCTEL-GHTZIAJQSA-N 2 2 374.960 4.287 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C)cc(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000512781964 1093332169 /nfs/dbraw/zinc/33/21/69/1093332169.db2.gz AOFQCQSHSPCTEL-GHTZIAJQSA-N 2 2 374.960 4.287 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc(C)cc(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000512781964 1093332177 /nfs/dbraw/zinc/33/21/77/1093332177.db2.gz AOFQCQSHSPCTEL-GHTZIAJQSA-N 2 2 374.960 4.287 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc(C)cc(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000512781964 1093332183 /nfs/dbraw/zinc/33/21/83/1093332183.db2.gz AOFQCQSHSPCTEL-GHTZIAJQSA-N 2 2 374.960 4.287 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2COc3ccc(F)cc32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168023363 1093355325 /nfs/dbraw/zinc/35/53/25/1093355325.db2.gz VTZOWBMSYLXUOO-NNNWTRQLSA-N 2 2 354.469 4.290 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2COc3ccc(F)cc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023363 1093355334 /nfs/dbraw/zinc/35/53/34/1093355334.db2.gz VTZOWBMSYLXUOO-NNNWTRQLSA-N 2 2 354.469 4.290 20 0 FIADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@H]3C(C)=CCC[C@H]3C)CCCC2)no1 ZINC000443639435 1093365460 /nfs/dbraw/zinc/36/54/60/1093365460.db2.gz GPOLBGNQUVWFAJ-MSOLQXFVSA-N 2 2 360.546 4.263 20 0 FIADLP COc1cccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1F ZINC001168024394 1093391244 /nfs/dbraw/zinc/39/12/44/1093391244.db2.gz FYXZFBZJIKTBAH-IRXDYDNUSA-N 2 2 356.485 4.366 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419285155 1093433805 /nfs/dbraw/zinc/43/38/05/1093433805.db2.gz DGYYFZXGTWZJOY-DLBZAZTESA-N 2 2 357.542 4.134 20 0 FIADLP Cc1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)sc1Br ZINC000512844744 1093438350 /nfs/dbraw/zinc/43/83/50/1093438350.db2.gz PADJXUDEDLMWDQ-ZDUSSCGKSA-N 2 2 366.328 4.148 20 0 FIADLP Cc1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)sc1Br ZINC000512844744 1093438358 /nfs/dbraw/zinc/43/83/58/1093438358.db2.gz PADJXUDEDLMWDQ-ZDUSSCGKSA-N 2 2 366.328 4.148 20 0 FIADLP CCc1cccc(Cl)c1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000474356580 1093707587 /nfs/dbraw/zinc/70/75/87/1093707587.db2.gz RONKTFNRSIMJPC-UHFFFAOYSA-N 2 2 353.897 4.480 20 0 FIADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000513091079 1093828179 /nfs/dbraw/zinc/82/81/79/1093828179.db2.gz XUXXWRCBLJQCAL-AKIFATBCSA-N 2 2 361.489 4.313 20 0 FIADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000513488561 1094159359 /nfs/dbraw/zinc/15/93/59/1094159359.db2.gz XIISFFLTWNZOGO-IBGZPJMESA-N 2 2 353.416 4.029 20 0 FIADLP Clc1ccc2[nH+]ccc(N3CC[NH+](CCc4cccs4)CC3)c2c1 ZINC000513602073 1094233323 /nfs/dbraw/zinc/23/33/23/1094233323.db2.gz CJQFRFLYUBWITJ-UHFFFAOYSA-N 2 2 357.910 4.314 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc([C@H]3C[C@@H]3C)o2)[C@@H]1c1cnn(C)c1 ZINC000434018601 1094240397 /nfs/dbraw/zinc/24/03/97/1094240397.db2.gz PYZAELMMTJFSEV-MBXLBGHASA-N 2 2 370.541 4.042 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc([C@H]3C[C@@H]3C)o2)[C@@H]1c1cnn(C)c1 ZINC000434018601 1094240403 /nfs/dbraw/zinc/24/04/03/1094240403.db2.gz PYZAELMMTJFSEV-MBXLBGHASA-N 2 2 370.541 4.042 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc([C@H]3C[C@@H]3C)o2)[C@@H]1c1cnn(C)c1 ZINC000434018601 1094240411 /nfs/dbraw/zinc/24/04/11/1094240411.db2.gz PYZAELMMTJFSEV-MBXLBGHASA-N 2 2 370.541 4.042 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc([C@H]3C[C@@H]3C)o2)[C@@H]1c1cnn(C)c1 ZINC000434018601 1094240417 /nfs/dbraw/zinc/24/04/17/1094240417.db2.gz PYZAELMMTJFSEV-MBXLBGHASA-N 2 2 370.541 4.042 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000474797030 1094611745 /nfs/dbraw/zinc/61/17/45/1094611745.db2.gz PYDZTBWFYYQSNJ-JKSUJKDBSA-N 2 2 352.950 4.311 20 0 FIADLP Fc1cccc(F)c1-c1csc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420388441 1094908271 /nfs/dbraw/zinc/90/82/71/1094908271.db2.gz GZAIHYKDVBFLOY-GUYCJALGSA-N 2 2 363.477 4.052 20 0 FIADLP Fc1cccc(F)c1-c1csc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420388441 1094908274 /nfs/dbraw/zinc/90/82/74/1094908274.db2.gz GZAIHYKDVBFLOY-GUYCJALGSA-N 2 2 363.477 4.052 20 0 FIADLP Fc1cccc(F)c1-c1csc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420388439 1094908359 /nfs/dbraw/zinc/90/83/59/1094908359.db2.gz GZAIHYKDVBFLOY-CXAGYDPISA-N 2 2 363.477 4.052 20 0 FIADLP Fc1cccc(F)c1-c1csc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420388439 1094908362 /nfs/dbraw/zinc/90/83/62/1094908362.db2.gz GZAIHYKDVBFLOY-CXAGYDPISA-N 2 2 363.477 4.052 20 0 FIADLP Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)oc1-c1ccc(Cl)cc1 ZINC000420394357 1094910993 /nfs/dbraw/zinc/91/09/93/1094910993.db2.gz KHPCRCUQPVUUKM-FUHWJXTLSA-N 2 2 359.901 4.267 20 0 FIADLP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)oc1-c1ccc(Cl)cc1 ZINC000420394357 1094910995 /nfs/dbraw/zinc/91/09/95/1094910995.db2.gz KHPCRCUQPVUUKM-FUHWJXTLSA-N 2 2 359.901 4.267 20 0 FIADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCC(=O)Nc3ccccc31)C2 ZINC000329597839 1094990067 /nfs/dbraw/zinc/99/00/67/1094990067.db2.gz PNSUQEZETBCFTE-PBHICJAKSA-N 2 2 352.482 4.208 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3ccccc3OCC3CC3)C2)n2c1CCCC2 ZINC000502306201 1095329965 /nfs/dbraw/zinc/32/99/65/1095329965.db2.gz ZRYITSUITZCPOK-HXUWFJFHSA-N 2 2 365.521 4.388 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3ccccc3OCC3CC3)C2)n2c1CCCC2 ZINC000502306201 1095329979 /nfs/dbraw/zinc/32/99/79/1095329979.db2.gz ZRYITSUITZCPOK-HXUWFJFHSA-N 2 2 365.521 4.388 20 0 FIADLP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502324548 1095352216 /nfs/dbraw/zinc/35/22/16/1095352216.db2.gz DNKXVUHCIQJWDO-LJQANCHMSA-N 2 2 353.510 4.170 20 0 FIADLP CCc1cc(OC)ccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502324548 1095352233 /nfs/dbraw/zinc/35/22/33/1095352233.db2.gz DNKXVUHCIQJWDO-LJQANCHMSA-N 2 2 353.510 4.170 20 0 FIADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000502309261 1095356680 /nfs/dbraw/zinc/35/66/80/1095356680.db2.gz KUNCZPIEFBOLQD-QGZVFWFLSA-N 2 2 357.473 4.137 20 0 FIADLP CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000502309261 1095356691 /nfs/dbraw/zinc/35/66/91/1095356691.db2.gz KUNCZPIEFBOLQD-QGZVFWFLSA-N 2 2 357.473 4.137 20 0 FIADLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1SC ZINC000502342591 1095380700 /nfs/dbraw/zinc/38/07/00/1095380700.db2.gz BTACDRASJSIUMO-KRWDZBQOSA-N 2 2 371.550 4.330 20 0 FIADLP COc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1SC ZINC000502342591 1095380717 /nfs/dbraw/zinc/38/07/17/1095380717.db2.gz BTACDRASJSIUMO-KRWDZBQOSA-N 2 2 371.550 4.330 20 0 FIADLP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502345087 1095382064 /nfs/dbraw/zinc/38/20/64/1095382064.db2.gz XKSMYFKYRCCQLK-PKOBYXMFSA-N 2 2 353.510 4.211 20 0 FIADLP COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502345087 1095382089 /nfs/dbraw/zinc/38/20/89/1095382089.db2.gz XKSMYFKYRCCQLK-PKOBYXMFSA-N 2 2 353.510 4.211 20 0 FIADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502345545 1095382978 /nfs/dbraw/zinc/38/29/78/1095382978.db2.gz KUICBKZALAWTID-IBGZPJMESA-N 2 2 353.510 4.386 20 0 FIADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502345545 1095383002 /nfs/dbraw/zinc/38/30/02/1095383002.db2.gz KUICBKZALAWTID-IBGZPJMESA-N 2 2 353.510 4.386 20 0 FIADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)oc1C ZINC000502427313 1095465100 /nfs/dbraw/zinc/46/51/00/1095465100.db2.gz AODJONVIWSTELZ-KURKYZTESA-N 2 2 356.510 4.356 20 0 FIADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)oc1C ZINC000502427312 1095465532 /nfs/dbraw/zinc/46/55/32/1095465532.db2.gz AODJONVIWSTELZ-KSZLIROESA-N 2 2 356.510 4.356 20 0 FIADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)oc1C ZINC000502427312 1095465544 /nfs/dbraw/zinc/46/55/44/1095465544.db2.gz AODJONVIWSTELZ-KSZLIROESA-N 2 2 356.510 4.356 20 0 FIADLP Cc1cc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)oc1C ZINC000502724301 1095761318 /nfs/dbraw/zinc/76/13/18/1095761318.db2.gz PFAQWIQFUBZHOV-HOTGVXAUSA-N 2 2 359.489 4.199 20 0 FIADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000421822465 1095935804 /nfs/dbraw/zinc/93/58/04/1095935804.db2.gz XDAMNTAHQNNEDL-HNNXBMFYSA-N 2 2 355.869 4.444 20 0 FIADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000421812592 1095948312 /nfs/dbraw/zinc/94/83/12/1095948312.db2.gz CRCWDKUCYXTKSQ-INIZCTEOSA-N 2 2 374.912 4.032 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(C)c1OC ZINC000513763250 1096080587 /nfs/dbraw/zinc/08/05/87/1096080587.db2.gz WGUQQXQIARSWPA-QGZVFWFLSA-N 2 2 365.477 4.108 20 0 FIADLP Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503372867 1096371926 /nfs/dbraw/zinc/37/19/26/1096371926.db2.gz HMBANWXRUSXFDP-OAHLLOKOSA-N 2 2 361.892 4.434 20 0 FIADLP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503372867 1096371935 /nfs/dbraw/zinc/37/19/35/1096371935.db2.gz HMBANWXRUSXFDP-OAHLLOKOSA-N 2 2 361.892 4.434 20 0 FIADLP C[C@@H](CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)OCc1ccccc1 ZINC000503413769 1096390957 /nfs/dbraw/zinc/39/09/57/1096390957.db2.gz BOCQYHFZPDQVBC-FPOVZHCZSA-N 2 2 367.537 4.394 20 0 FIADLP C[C@@H](CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)OCc1ccccc1 ZINC000503413769 1096390964 /nfs/dbraw/zinc/39/09/64/1096390964.db2.gz BOCQYHFZPDQVBC-FPOVZHCZSA-N 2 2 367.537 4.394 20 0 FIADLP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000422720674 1096470557 /nfs/dbraw/zinc/47/05/57/1096470557.db2.gz SWYHGLKKNRZIRF-LJQANCHMSA-N 3 2 362.521 4.206 20 0 FIADLP c1sc(CCc2ccccc2)nc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422851125 1096504833 /nfs/dbraw/zinc/50/48/33/1096504833.db2.gz OLIFPPPKAKLFRH-PCCBWWKXSA-N 2 2 369.578 4.329 20 0 FIADLP C[N@@H+]1CC[C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423023099 1096548043 /nfs/dbraw/zinc/54/80/43/1096548043.db2.gz IXTGCFWORMLNGO-RZTDZLQYSA-N 2 2 373.903 4.206 20 0 FIADLP C[N@H+]1CC[C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423023099 1096548051 /nfs/dbraw/zinc/54/80/51/1096548051.db2.gz IXTGCFWORMLNGO-RZTDZLQYSA-N 2 2 373.903 4.206 20 0 FIADLP CN1CC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423023099 1096548060 /nfs/dbraw/zinc/54/80/60/1096548060.db2.gz IXTGCFWORMLNGO-RZTDZLQYSA-N 2 2 373.903 4.206 20 0 FIADLP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CCO1 ZINC000423040867 1096557515 /nfs/dbraw/zinc/55/75/15/1096557515.db2.gz IEJUBDBGFXXWEI-PSWRPDDJSA-N 2 2 360.542 4.062 20 0 FIADLP c1cc(-c2ccccc2)oc1C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000414716399 1096567517 /nfs/dbraw/zinc/56/75/17/1096567517.db2.gz ONLYXWUXOHYANW-NRFANRHFSA-N 2 2 361.489 4.486 20 0 FIADLP c1cc(-c2ccccc2)oc1C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000414716399 1096567520 /nfs/dbraw/zinc/56/75/20/1096567520.db2.gz ONLYXWUXOHYANW-NRFANRHFSA-N 2 2 361.489 4.486 20 0 FIADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423086941 1096570263 /nfs/dbraw/zinc/57/02/63/1096570263.db2.gz OHYBYCFNPVYWEF-IFMALSPDSA-N 2 2 360.505 4.232 20 0 FIADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCCO2 ZINC000423194902 1096614237 /nfs/dbraw/zinc/61/42/37/1096614237.db2.gz ZLUFAWZSSVIHHM-LJQANCHMSA-N 2 2 359.901 4.027 20 0 FIADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423360029 1096657331 /nfs/dbraw/zinc/65/73/31/1096657331.db2.gz FEUVFVWVWFHAKY-PVXIVEMSSA-N 2 2 350.375 4.121 20 0 FIADLP C[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000532967821 1098635532 /nfs/dbraw/zinc/63/55/32/1098635532.db2.gz VLVMIJQRRTYVJL-JKSUJKDBSA-N 2 2 351.332 4.460 20 0 FIADLP C[C@@H](c1ccccc1Br)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000532967821 1098635535 /nfs/dbraw/zinc/63/55/35/1098635535.db2.gz VLVMIJQRRTYVJL-JKSUJKDBSA-N 2 2 351.332 4.460 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C ZINC000533310486 1098946248 /nfs/dbraw/zinc/94/62/48/1098946248.db2.gz SOWGOAVBZAOUEI-GCJKJVERSA-N 2 2 365.521 4.244 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C ZINC000533310486 1098946251 /nfs/dbraw/zinc/94/62/51/1098946251.db2.gz SOWGOAVBZAOUEI-GCJKJVERSA-N 2 2 365.521 4.244 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C ZINC000533310486 1098946254 /nfs/dbraw/zinc/94/62/54/1098946254.db2.gz SOWGOAVBZAOUEI-GCJKJVERSA-N 2 2 365.521 4.244 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C ZINC000533310486 1098946257 /nfs/dbraw/zinc/94/62/57/1098946257.db2.gz SOWGOAVBZAOUEI-GCJKJVERSA-N 2 2 365.521 4.244 20 0 FIADLP CCOc1ccccc1[C@H](CC)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420930344 1099067580 /nfs/dbraw/zinc/06/75/80/1099067580.db2.gz FCSRZJKYAMCDQN-QFIPXVFZSA-N 2 2 368.521 4.158 20 0 FIADLP CC[N@H+](Cc1csc(C)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531647 1099135002 /nfs/dbraw/zinc/13/50/02/1099135002.db2.gz BIOLXTXXBKMTCT-UHFFFAOYSA-N 2 2 373.570 4.164 20 0 FIADLP CC[N@@H+](Cc1csc(C)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531647 1099135008 /nfs/dbraw/zinc/13/50/08/1099135008.db2.gz BIOLXTXXBKMTCT-UHFFFAOYSA-N 2 2 373.570 4.164 20 0 FIADLP Cc1cc(C)c(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)c(C)[nH+]1 ZINC000455460336 1099255018 /nfs/dbraw/zinc/25/50/18/1099255018.db2.gz AUWAONONMMDAED-UHFFFAOYSA-N 2 2 366.509 4.314 20 0 FIADLP CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455494630 1099258564 /nfs/dbraw/zinc/25/85/64/1099258564.db2.gz NJYYWWQGGJCXDZ-HXUWFJFHSA-N 2 2 366.509 4.135 20 0 FIADLP CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455494630 1099258573 /nfs/dbraw/zinc/25/85/73/1099258573.db2.gz NJYYWWQGGJCXDZ-HXUWFJFHSA-N 2 2 366.509 4.135 20 0 FIADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1Cl ZINC000437007279 1099510737 /nfs/dbraw/zinc/51/07/37/1099510737.db2.gz JLNWXHUKCQFBCF-SWLSCSKDSA-N 2 2 368.706 4.355 20 0 FIADLP c1cc(OCC[NH+]2CCCC2)ccc1CNc1ccc2c(c1)CCC[NH2+]2 ZINC000666789887 1099523077 /nfs/dbraw/zinc/52/30/77/1099523077.db2.gz PALXTKQLPJLKRP-UHFFFAOYSA-N 2 2 351.494 4.131 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)c3ccccc3)nc2)C[C@@H]1C ZINC000437130470 1099648473 /nfs/dbraw/zinc/64/84/73/1099648473.db2.gz VVDJIHUIEPHNRQ-RXVVDRJESA-N 2 2 352.526 4.154 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)c3ccccc3)nc2)C[C@@H]1C ZINC000437130470 1099648480 /nfs/dbraw/zinc/64/84/80/1099648480.db2.gz VVDJIHUIEPHNRQ-RXVVDRJESA-N 2 2 352.526 4.154 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)C[C@@H]1C ZINC000437130470 1099648487 /nfs/dbraw/zinc/64/84/87/1099648487.db2.gz VVDJIHUIEPHNRQ-RXVVDRJESA-N 2 2 352.526 4.154 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)C[C@@H]1C ZINC000437130470 1099648492 /nfs/dbraw/zinc/64/84/92/1099648492.db2.gz VVDJIHUIEPHNRQ-RXVVDRJESA-N 2 2 352.526 4.154 20 0 FIADLP CC(C)(C)CCOc1cnccc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000516598473 1099648524 /nfs/dbraw/zinc/64/85/24/1099648524.db2.gz VHEPONJNPGMRNB-UHFFFAOYSA-N 2 2 370.522 4.434 20 0 FIADLP C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508694143 1099826096 /nfs/dbraw/zinc/82/60/96/1099826096.db2.gz FDJLWAJBIRITMJ-IEBWSBKVSA-N 2 2 364.468 4.334 20 0 FIADLP C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508694143 1099826108 /nfs/dbraw/zinc/82/61/08/1099826108.db2.gz FDJLWAJBIRITMJ-IEBWSBKVSA-N 2 2 364.468 4.334 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000508703640 1099858165 /nfs/dbraw/zinc/85/81/65/1099858165.db2.gz ZEWFWECILGOBCE-SXWKCWPCSA-N 3 2 374.532 4.434 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000508703640 1099858174 /nfs/dbraw/zinc/85/81/74/1099858174.db2.gz ZEWFWECILGOBCE-SXWKCWPCSA-N 3 2 374.532 4.434 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000162624533 1099920315 /nfs/dbraw/zinc/92/03/15/1099920315.db2.gz QESUSVWSTDKSFW-DVECYGJZSA-N 2 2 359.517 4.278 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000162624533 1099920322 /nfs/dbraw/zinc/92/03/22/1099920322.db2.gz QESUSVWSTDKSFW-DVECYGJZSA-N 2 2 359.517 4.278 20 0 FIADLP CC[N@@H+](Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536709559 1100225214 /nfs/dbraw/zinc/22/52/14/1100225214.db2.gz GESMXMXQTNPNMT-IBGZPJMESA-N 2 2 354.542 4.051 20 0 FIADLP CC[N@H+](Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536709559 1100225229 /nfs/dbraw/zinc/22/52/29/1100225229.db2.gz GESMXMXQTNPNMT-IBGZPJMESA-N 2 2 354.542 4.051 20 0 FIADLP CC[NH+](Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536709559 1100225238 /nfs/dbraw/zinc/22/52/38/1100225238.db2.gz GESMXMXQTNPNMT-IBGZPJMESA-N 2 2 354.542 4.051 20 0 FIADLP CC[NH+](Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536709559 1100225250 /nfs/dbraw/zinc/22/52/50/1100225250.db2.gz GESMXMXQTNPNMT-IBGZPJMESA-N 2 2 354.542 4.051 20 0 FIADLP Brc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000536731511 1100238535 /nfs/dbraw/zinc/23/85/35/1100238535.db2.gz LXELTNMHPOLQHT-RHSMWYFYSA-N 2 2 360.299 4.429 20 0 FIADLP Brc1ccc2c(c1)[C@H]([N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000536731511 1100238543 /nfs/dbraw/zinc/23/85/43/1100238543.db2.gz LXELTNMHPOLQHT-RHSMWYFYSA-N 2 2 360.299 4.429 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1nc2c(s1)CCC2 ZINC000459643474 1100383918 /nfs/dbraw/zinc/38/39/18/1100383918.db2.gz CRWODCNDUVXGDR-DLBZAZTESA-N 2 2 369.578 4.378 20 0 FIADLP CCOc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1OCc1ccccc1 ZINC000517538639 1100460941 /nfs/dbraw/zinc/46/09/41/1100460941.db2.gz GFYQGKYQUMYHGS-SFHVURJKSA-N 2 2 365.477 4.039 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@H](C(F)(F)F)C3)[nH+]c2)CC1 ZINC000438181819 1100485546 /nfs/dbraw/zinc/48/55/46/1100485546.db2.gz SLQMNRDQTTWDQJ-LSDHHAIUSA-N 2 2 370.463 4.145 20 0 FIADLP COc1ccc(CC[C@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1O ZINC000426173286 1100942357 /nfs/dbraw/zinc/94/23/57/1100942357.db2.gz SJIFILXKBGRKNY-ZWKOTPCHSA-N 2 2 370.537 4.441 20 0 FIADLP FC(F)(F)c1ccccc1OCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000518285525 1101067398 /nfs/dbraw/zinc/06/73/98/1101067398.db2.gz UDIKUTBIISNFKR-UHFFFAOYSA-N 2 2 361.367 4.060 20 0 FIADLP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000439002929 1101073128 /nfs/dbraw/zinc/07/31/28/1101073128.db2.gz ONIUKUXLBZHRME-CIQXWFTPSA-N 2 2 353.510 4.024 20 0 FIADLP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000439002929 1101073138 /nfs/dbraw/zinc/07/31/38/1101073138.db2.gz ONIUKUXLBZHRME-CIQXWFTPSA-N 2 2 353.510 4.024 20 0 FIADLP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000426324891 1101260726 /nfs/dbraw/zinc/26/07/26/1101260726.db2.gz GVCASYNKBHFADY-NFBKMPQASA-N 2 2 365.565 4.476 20 0 FIADLP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000426324891 1101260737 /nfs/dbraw/zinc/26/07/37/1101260737.db2.gz GVCASYNKBHFADY-NFBKMPQASA-N 2 2 365.565 4.476 20 0 FIADLP COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000506624524 1101595835 /nfs/dbraw/zinc/59/58/35/1101595835.db2.gz PPGBIGAYFPYIAN-FQEVSTJZSA-N 2 2 363.461 4.227 20 0 FIADLP COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000506624524 1101595842 /nfs/dbraw/zinc/59/58/42/1101595842.db2.gz PPGBIGAYFPYIAN-FQEVSTJZSA-N 2 2 363.461 4.227 20 0 FIADLP CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070979162 1101905584 /nfs/dbraw/zinc/90/55/84/1101905584.db2.gz MEFPPVGLPGDFJV-UHFFFAOYSA-N 2 2 362.477 4.031 20 0 FIADLP CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070979162 1101905588 /nfs/dbraw/zinc/90/55/88/1101905588.db2.gz MEFPPVGLPGDFJV-UHFFFAOYSA-N 2 2 362.477 4.031 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCSc4ccccc43)[nH+]c2)CC1 ZINC000537486059 1102166046 /nfs/dbraw/zinc/16/60/46/1102166046.db2.gz CBZJHYMBWFXIOL-IBGZPJMESA-N 2 2 368.550 4.261 20 0 FIADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000519484370 1102239732 /nfs/dbraw/zinc/23/97/32/1102239732.db2.gz HVSVXLYTWYVBDK-OAHLLOKOSA-N 2 2 355.869 4.444 20 0 FIADLP c1cn(-c2ccc(-c3noc([C@@H]4CCC[NH2+][C@@H]4c4ccccc4)n3)cc2)c[nH+]1 ZINC001211848773 1102240970 /nfs/dbraw/zinc/24/09/70/1102240970.db2.gz PAHKQQYQMXVWNG-WOJBJXKFSA-N 2 2 371.444 4.131 20 0 FIADLP Cc1cnc([C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C2CC2)s1 ZINC000120881899 1102261010 /nfs/dbraw/zinc/26/10/10/1102261010.db2.gz JVQSFRODIPYHGI-FQEVSTJZSA-N 2 2 355.551 4.199 20 0 FIADLP C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537961623 1102297845 /nfs/dbraw/zinc/29/78/45/1102297845.db2.gz RKSFULZDAIMOQE-IEBWSBKVSA-N 2 2 364.468 4.331 20 0 FIADLP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cc(Cl)cc(Cl)c1 ZINC001167967945 1102306890 /nfs/dbraw/zinc/30/68/90/1102306890.db2.gz MBGQJIRPSBVSOM-XVLXNVKGSA-N 2 2 369.336 4.022 20 0 FIADLP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cc(Cl)cc(Cl)c1 ZINC001167967945 1102306901 /nfs/dbraw/zinc/30/69/01/1102306901.db2.gz MBGQJIRPSBVSOM-XVLXNVKGSA-N 2 2 369.336 4.022 20 0 FIADLP Cn1c(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)nc2cc(Cl)ccc21 ZINC000550794450 1102321345 /nfs/dbraw/zinc/32/13/45/1102321345.db2.gz HBNXNOCCAWVVJJ-PXNSSMCTSA-N 2 2 368.912 4.152 20 0 FIADLP Cn1c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)nc2cc(Cl)ccc21 ZINC000550794450 1102321359 /nfs/dbraw/zinc/32/13/59/1102321359.db2.gz HBNXNOCCAWVVJJ-PXNSSMCTSA-N 2 2 368.912 4.152 20 0 FIADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(Br)ccc2F)CC1 ZINC000532451930 1102342620 /nfs/dbraw/zinc/34/26/20/1102342620.db2.gz ZWSPQUGSENFICW-CYBMUJFWSA-N 2 2 357.311 4.359 20 0 FIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000532467737 1102375863 /nfs/dbraw/zinc/37/58/63/1102375863.db2.gz HFSTTXJFCGCUTF-CVEARBPZSA-N 2 2 353.441 4.302 20 0 FIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(Br)c1 ZINC000121368216 1102390648 /nfs/dbraw/zinc/39/06/48/1102390648.db2.gz VBOPHDJGUHLAAR-CQSZACIVSA-N 2 2 360.299 4.164 20 0 FIADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCCOc4cc5c(cc43)CCC5)c2)c[nH+]1 ZINC000121877505 1102467046 /nfs/dbraw/zinc/46/70/46/1102467046.db2.gz ZEQDOOGXNHOUPP-HSZRJFAPSA-N 2 2 373.500 4.424 20 0 FIADLP Clc1ccc(C2CCC([N@@H+]3CCO[C@H](C[NH+]4CCCC4)C3)CC2)cc1 ZINC001168348088 1102497034 /nfs/dbraw/zinc/49/70/34/1102497034.db2.gz UQCQCDKHUJURDY-DQVLVPHSSA-N 2 2 362.945 4.163 20 0 FIADLP Clc1ccc(C2CCC([N@H+]3CCO[C@H](C[NH+]4CCCC4)C3)CC2)cc1 ZINC001168348088 1102497039 /nfs/dbraw/zinc/49/70/39/1102497039.db2.gz UQCQCDKHUJURDY-DQVLVPHSSA-N 2 2 362.945 4.163 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000537648702 1102689501 /nfs/dbraw/zinc/68/95/01/1102689501.db2.gz UHGQFPNKOACMDB-CQSZACIVSA-N 2 2 369.336 4.433 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000537648702 1102689508 /nfs/dbraw/zinc/68/95/08/1102689508.db2.gz UHGQFPNKOACMDB-CQSZACIVSA-N 2 2 369.336 4.433 20 0 FIADLP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551005564 1102773224 /nfs/dbraw/zinc/77/32/24/1102773224.db2.gz JTIHICRRAXOZFI-UNMCSNQZSA-N 2 2 365.521 4.350 20 0 FIADLP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551005564 1102773235 /nfs/dbraw/zinc/77/32/35/1102773235.db2.gz JTIHICRRAXOZFI-UNMCSNQZSA-N 2 2 365.521 4.350 20 0 FIADLP Clc1ccc2c(CC[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)c[nH]c2c1 ZINC000237803130 1102889443 /nfs/dbraw/zinc/88/94/43/1102889443.db2.gz JBDJCSIFYGTCSJ-UHFFFAOYSA-N 2 2 350.853 4.339 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1cn[nH]c1 ZINC000551266217 1103027245 /nfs/dbraw/zinc/02/72/45/1103027245.db2.gz YCJYLEGTJRFZJM-KRWDZBQOSA-N 2 2 357.461 4.172 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000551553116 1103349888 /nfs/dbraw/zinc/34/98/88/1103349888.db2.gz UMCJAUMYDQKWQM-RXVVDRJESA-N 2 2 366.553 4.259 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)nc2)CC[N@H+]1Cc1ccccc1 ZINC000551553116 1103349902 /nfs/dbraw/zinc/34/99/02/1103349902.db2.gz UMCJAUMYDQKWQM-RXVVDRJESA-N 2 2 366.553 4.259 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc(C(C)(C)C)nc2)CC[NH+]1Cc1ccccc1 ZINC000551553116 1103349915 /nfs/dbraw/zinc/34/99/15/1103349915.db2.gz UMCJAUMYDQKWQM-RXVVDRJESA-N 2 2 366.553 4.259 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(C(C)(C)C)nc2)CC[NH+]1Cc1ccccc1 ZINC000551553116 1103349929 /nfs/dbraw/zinc/34/99/29/1103349929.db2.gz UMCJAUMYDQKWQM-RXVVDRJESA-N 2 2 366.553 4.259 20 0 FIADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000519673787 1103771250 /nfs/dbraw/zinc/77/12/50/1103771250.db2.gz QPGBAZWXVXIPHM-JOCHJYFZSA-N 2 2 361.489 4.452 20 0 FIADLP FC(F)(F)c1cccc2c1C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CC2 ZINC001168002898 1104995415 /nfs/dbraw/zinc/99/54/15/1104995415.db2.gz DZRFWTQZLAPCMI-JWTNVVGKSA-N 2 2 364.455 4.469 20 0 FIADLP FC(F)(F)c1cccc2c1C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CC2 ZINC001168002898 1104995417 /nfs/dbraw/zinc/99/54/17/1104995417.db2.gz DZRFWTQZLAPCMI-JWTNVVGKSA-N 2 2 364.455 4.469 20 0 FIADLP FC(F)(F)c1cccc2c1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001168002898 1104995419 /nfs/dbraw/zinc/99/54/19/1104995419.db2.gz DZRFWTQZLAPCMI-JWTNVVGKSA-N 2 2 364.455 4.469 20 0 FIADLP FC(F)(F)c1cccc2c1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001168002898 1104995421 /nfs/dbraw/zinc/99/54/21/1104995421.db2.gz DZRFWTQZLAPCMI-JWTNVVGKSA-N 2 2 364.455 4.469 20 0 FIADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3nc4cc(Cl)ccc4n3C)CC2)C1 ZINC000427846617 1105293688 /nfs/dbraw/zinc/29/36/88/1105293688.db2.gz IESQUTMNTDMROX-CRAIPNDOSA-N 2 2 374.960 4.359 20 0 FIADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3nc4cc(Cl)ccc4n3C)CC2)C1 ZINC000427846623 1105293904 /nfs/dbraw/zinc/29/39/04/1105293904.db2.gz IESQUTMNTDMROX-YJBOKZPZSA-N 2 2 374.960 4.359 20 0 FIADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2cc(Br)ccc2o1 ZINC000427845506 1105293910 /nfs/dbraw/zinc/29/39/10/1105293910.db2.gz FKORHFBEFUCXRW-SMDDNHRTSA-N 2 2 360.255 4.057 20 0 FIADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427852733 1105295822 /nfs/dbraw/zinc/29/58/22/1105295822.db2.gz MVKIIBBONKYAFP-HKUYNNGSSA-N 2 2 353.510 4.307 20 0 FIADLP Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000427876926 1105299821 /nfs/dbraw/zinc/29/98/21/1105299821.db2.gz RYJNIRPUHCCSMN-XJKSGUPXSA-N 2 2 368.481 4.128 20 0 FIADLP Cc1ccccc1COc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427868316 1105303543 /nfs/dbraw/zinc/30/35/43/1105303543.db2.gz DIAFPLMZBZZBFC-NQIIRXRSSA-N 2 2 361.489 4.436 20 0 FIADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cnc3ccccc3c2)cc1 ZINC000427880914 1105308285 /nfs/dbraw/zinc/30/82/85/1105308285.db2.gz XHXUPIGWYKBQDA-NFBKMPQASA-N 2 2 372.447 4.264 20 0 FIADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000427891858 1105312653 /nfs/dbraw/zinc/31/26/53/1105312653.db2.gz FGVGOFOICIXXFD-UZLBHIALSA-N 2 2 365.452 4.267 20 0 FIADLP O=C(CCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000450925157 1106819700 /nfs/dbraw/zinc/81/97/00/1106819700.db2.gz HTXDXEOECLCNEW-IBGZPJMESA-N 2 2 351.494 4.062 20 0 FIADLP O=C(CCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000450925157 1106819719 /nfs/dbraw/zinc/81/97/19/1106819719.db2.gz HTXDXEOECLCNEW-IBGZPJMESA-N 2 2 351.494 4.062 20 0 FIADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451021971 1106876986 /nfs/dbraw/zinc/87/69/86/1106876986.db2.gz RLBFGJDYHCCABP-GOSISDBHSA-N 2 2 357.889 4.339 20 0 FIADLP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451021971 1106876995 /nfs/dbraw/zinc/87/69/95/1106876995.db2.gz RLBFGJDYHCCABP-GOSISDBHSA-N 2 2 357.889 4.339 20 0 FIADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451021971 1106877006 /nfs/dbraw/zinc/87/70/06/1106877006.db2.gz RLBFGJDYHCCABP-GOSISDBHSA-N 2 2 357.889 4.339 20 0 FIADLP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451021971 1106877012 /nfs/dbraw/zinc/87/70/12/1106877012.db2.gz RLBFGJDYHCCABP-GOSISDBHSA-N 2 2 357.889 4.339 20 0 FIADLP Brc1cccc2c(NC3CC[NH+](CC4CC4)CC3)cc[nH+]c12 ZINC000301194954 1106959288 /nfs/dbraw/zinc/95/92/88/1106959288.db2.gz TXQAJUCSQCOGDC-UHFFFAOYSA-N 2 2 360.299 4.284 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000530386817 1106994957 /nfs/dbraw/zinc/99/49/57/1106994957.db2.gz CNJBBIUKPBKGJI-PKOBYXMFSA-N 2 2 364.489 4.442 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530386817 1106994966 /nfs/dbraw/zinc/99/49/66/1106994966.db2.gz CNJBBIUKPBKGJI-PKOBYXMFSA-N 2 2 364.489 4.442 20 0 FIADLP COc1ccccc1C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C(C)C ZINC000531685626 1108072230 /nfs/dbraw/zinc/07/22/30/1108072230.db2.gz BXFRWRWHRUJEGJ-JOCHJYFZSA-N 2 2 363.505 4.297 20 0 FIADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000531685292 1108072540 /nfs/dbraw/zinc/07/25/40/1108072540.db2.gz JMRHVIDFRAEHNG-QFIPXVFZSA-N 2 2 351.469 4.427 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531686601 1108073856 /nfs/dbraw/zinc/07/38/56/1108073856.db2.gz SJAGMFZQLZTWLY-AUSIDOKSSA-N 2 2 365.565 4.422 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531686601 1108073870 /nfs/dbraw/zinc/07/38/70/1108073870.db2.gz SJAGMFZQLZTWLY-AUSIDOKSSA-N 2 2 365.565 4.422 20 0 FIADLP C[C@H](CCCc1cccnc1)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000453166165 1108239098 /nfs/dbraw/zinc/23/90/98/1108239098.db2.gz HIQMTBUQGUREPH-RTBURBONSA-N 2 2 352.526 4.003 20 0 FIADLP Brc1cccc2c(NCC3CC[NH+](C4CC4)CC3)cc[nH+]c12 ZINC000444870187 1108248714 /nfs/dbraw/zinc/24/87/14/1108248714.db2.gz FIANXWIZRKPUGU-UHFFFAOYSA-N 2 2 360.299 4.284 20 0 FIADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CC([NH+]4CCCCC4)C3)[C@H]3CCC[C@@H]32)cc1 ZINC000453220884 1108292283 /nfs/dbraw/zinc/29/22/83/1108292283.db2.gz PKMMWUFFTDZDES-QSBPQZLJSA-N 3 2 367.581 4.036 20 0 FIADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC([NH+]4CCCCC4)C3)[C@H]3CCC[C@@H]32)cc1 ZINC000453220884 1108292288 /nfs/dbraw/zinc/29/22/88/1108292288.db2.gz PKMMWUFFTDZDES-QSBPQZLJSA-N 3 2 367.581 4.036 20 0 FIADLP Cc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)CC2)c(C)c1 ZINC000453238695 1108316417 /nfs/dbraw/zinc/31/64/17/1108316417.db2.gz AGCHDRNOALSXDQ-OFNKIYASSA-N 2 2 363.549 4.230 20 0 FIADLP Cc1ccc(C2(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)CC2)c(C)c1 ZINC000453238695 1108316433 /nfs/dbraw/zinc/31/64/33/1108316433.db2.gz AGCHDRNOALSXDQ-OFNKIYASSA-N 2 2 363.549 4.230 20 0 FIADLP C[C@@H](CCCc1cccnc1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000453243100 1108351186 /nfs/dbraw/zinc/35/11/86/1108351186.db2.gz YLFKVAOQVRHEEC-INIZCTEOSA-N 2 2 354.885 4.422 20 0 FIADLP Cc1cccn2c(CNc3[nH+]ccn3Cc3ccccc3Cl)c[nH+]c12 ZINC000508517176 1108404439 /nfs/dbraw/zinc/40/44/39/1108404439.db2.gz ARHFHPWIOLQKKI-UHFFFAOYSA-N 2 2 351.841 4.153 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)c1ccsc1 ZINC000453319181 1108409458 /nfs/dbraw/zinc/40/94/58/1108409458.db2.gz CZKMYJWXZGKJGT-OAQYLSRUSA-N 2 2 371.550 4.412 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)c1ccsc1 ZINC000453319180 1108409957 /nfs/dbraw/zinc/40/99/57/1108409957.db2.gz CZKMYJWXZGKJGT-NRFANRHFSA-N 2 2 371.550 4.412 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)c1cccs1 ZINC000453334659 1108423914 /nfs/dbraw/zinc/42/39/14/1108423914.db2.gz XMMFHBXHFWOJSZ-HXUWFJFHSA-N 2 2 371.550 4.412 20 0 FIADLP C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1cccc(-n2cc[nH+]c2)c1 ZINC000531984260 1108467867 /nfs/dbraw/zinc/46/78/67/1108467867.db2.gz VANGVBBOMIIFGF-HOTGVXAUSA-N 2 2 360.461 4.169 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)[C@@H](C)C1 ZINC000532195174 1108703613 /nfs/dbraw/zinc/70/36/13/1108703613.db2.gz GMFAOILGXVUSAP-GOEBONIOSA-N 2 2 355.507 4.376 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)[C@@H](C)C1 ZINC000532195174 1108703617 /nfs/dbraw/zinc/70/36/17/1108703617.db2.gz GMFAOILGXVUSAP-GOEBONIOSA-N 2 2 355.507 4.376 20 0 FIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000524307222 1108959075 /nfs/dbraw/zinc/95/90/75/1108959075.db2.gz AOIBTNWJTHTAPE-LBPRGKRZSA-N 2 2 366.412 4.204 20 0 FIADLP CC(C)O[C@@H](C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000428417497 1108972813 /nfs/dbraw/zinc/97/28/13/1108972813.db2.gz CXYWCQIHOCWUDQ-VABKMULXSA-N 2 2 367.537 4.173 20 0 FIADLP CC(C)O[C@@H](C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000428417497 1108972818 /nfs/dbraw/zinc/97/28/18/1108972818.db2.gz CXYWCQIHOCWUDQ-VABKMULXSA-N 2 2 367.537 4.173 20 0 FIADLP CC(C)O[C@@H](C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000428417497 1108972819 /nfs/dbraw/zinc/97/28/19/1108972819.db2.gz CXYWCQIHOCWUDQ-VABKMULXSA-N 2 2 367.537 4.173 20 0 FIADLP CC(C)O[C@@H](C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000428417497 1108972823 /nfs/dbraw/zinc/97/28/23/1108972823.db2.gz CXYWCQIHOCWUDQ-VABKMULXSA-N 2 2 367.537 4.173 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cn(-c3ccccc3)nc1C(C)C)CCC2 ZINC000525182833 1109293541 /nfs/dbraw/zinc/29/35/41/1109293541.db2.gz MLSLGROGHWZJQK-GOSISDBHSA-N 2 2 363.509 4.168 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc(-c3ccc(C)cc3)s1)CCC2 ZINC000525181771 1109293682 /nfs/dbraw/zinc/29/36/82/1109293682.db2.gz NPIQOEADDDRYHO-KRWDZBQOSA-N 2 2 352.507 4.291 20 0 FIADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Br)cc1Cl ZINC000446743120 1109325571 /nfs/dbraw/zinc/32/55/71/1109325571.db2.gz TWGJPJSHTQVNNK-XHDPSFHLSA-N 2 2 356.695 4.428 20 0 FIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Br)cc1F ZINC000446928898 1109392549 /nfs/dbraw/zinc/39/25/49/1109392549.db2.gz HNSWPPFTXWRQSW-LBPRGKRZSA-N 2 2 352.251 4.136 20 0 FIADLP c1csc([C@@H]2CCC[NH+]2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000429704930 1109450060 /nfs/dbraw/zinc/45/00/60/1109450060.db2.gz BXHFQUSCRBXNGD-PMACEKPBSA-N 2 2 356.535 4.176 20 0 FIADLP c1csc([C@@H]2CCC[NH+]2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000429704930 1109450063 /nfs/dbraw/zinc/45/00/63/1109450063.db2.gz BXHFQUSCRBXNGD-PMACEKPBSA-N 2 2 356.535 4.176 20 0 FIADLP c1csc([C@@H]2CCC[N@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000429704930 1109450066 /nfs/dbraw/zinc/45/00/66/1109450066.db2.gz BXHFQUSCRBXNGD-PMACEKPBSA-N 2 2 356.535 4.176 20 0 FIADLP c1csc([C@@H]2CCC[N@@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000429704930 1109450068 /nfs/dbraw/zinc/45/00/68/1109450068.db2.gz BXHFQUSCRBXNGD-PMACEKPBSA-N 2 2 356.535 4.176 20 0 FIADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cccc(-c3ccncc3)c1)C2 ZINC000525759739 1109502933 /nfs/dbraw/zinc/50/29/33/1109502933.db2.gz RQEXTSCCZXRBPM-FQEVSTJZSA-N 2 2 360.505 4.347 20 0 FIADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc21 ZINC000447529407 1109563556 /nfs/dbraw/zinc/56/35/56/1109563556.db2.gz LYWUEOSIAYFYIT-DNQXCXABSA-N 2 2 364.533 4.493 20 0 FIADLP Fc1ccc(C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc2)cc1 ZINC000447538345 1109571549 /nfs/dbraw/zinc/57/15/49/1109571549.db2.gz BFRAKIROOSJORY-QFIPXVFZSA-N 2 2 363.480 4.475 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000447849475 1109658805 /nfs/dbraw/zinc/65/88/05/1109658805.db2.gz IAPGSUIAOQCWRK-RXVVDRJESA-N 2 2 360.505 4.077 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000447849475 1109658806 /nfs/dbraw/zinc/65/88/06/1109658806.db2.gz IAPGSUIAOQCWRK-RXVVDRJESA-N 2 2 360.505 4.077 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000447941968 1109677228 /nfs/dbraw/zinc/67/72/28/1109677228.db2.gz LUVQMLWDLAJFAB-FPOVZHCZSA-N 2 2 360.505 4.015 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000447941968 1109677231 /nfs/dbraw/zinc/67/72/31/1109677231.db2.gz LUVQMLWDLAJFAB-FPOVZHCZSA-N 2 2 360.505 4.015 20 0 FIADLP CC(C)(C)c1cnc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000447933010 1109682174 /nfs/dbraw/zinc/68/21/74/1109682174.db2.gz URLRTQAPEXFSFL-UHFFFAOYSA-N 2 2 354.523 4.018 20 0 FIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)[C@H](C)C1 ZINC000448021233 1109694849 /nfs/dbraw/zinc/69/48/49/1109694849.db2.gz HKYOVPLMNINBJH-UTKZUKDTSA-N 2 2 374.500 4.312 20 0 FIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)[C@H](C)C1 ZINC000448021233 1109694852 /nfs/dbraw/zinc/69/48/52/1109694852.db2.gz HKYOVPLMNINBJH-UTKZUKDTSA-N 2 2 374.500 4.312 20 0 FIADLP CC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000527222898 1109716555 /nfs/dbraw/zinc/71/65/55/1109716555.db2.gz UKRGGVGBACPBGV-UHFFFAOYSA-N 2 2 365.237 4.042 20 0 FIADLP CCOc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(F)cc1OC ZINC000527671720 1109800547 /nfs/dbraw/zinc/80/05/47/1109800547.db2.gz XBHBKUFYHGESPI-UHFFFAOYSA-N 2 2 364.505 4.120 20 0 FIADLP Fc1cc2c(cc1Cl)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000527853433 1109839118 /nfs/dbraw/zinc/83/91/18/1109839118.db2.gz UKQCDHCXXUWNJJ-OAQYLSRUSA-N 2 2 374.887 4.088 20 0 FIADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc(F)c(Br)cc2F)CC1 ZINC000527861166 1109842149 /nfs/dbraw/zinc/84/21/49/1109842149.db2.gz CDNHLCLLPXQEES-NSHDSACASA-N 2 2 361.274 4.251 20 0 FIADLP c1nc(CCc2ccccc2)sc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000449026179 1109958891 /nfs/dbraw/zinc/95/88/91/1109958891.db2.gz FIJHXUOTALQIGJ-FQEVSTJZSA-N 2 2 369.578 4.379 20 0 FIADLP c1nc(CCc2ccccc2)sc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000449026179 1109958893 /nfs/dbraw/zinc/95/88/93/1109958893.db2.gz FIJHXUOTALQIGJ-FQEVSTJZSA-N 2 2 369.578 4.379 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)C[C@H]1C ZINC000449026361 1109959026 /nfs/dbraw/zinc/95/90/26/1109959026.db2.gz FQTOHUOWYBENRG-KGLIPLIRSA-N 2 2 365.493 4.393 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)C[C@H]1C ZINC000449026361 1109959027 /nfs/dbraw/zinc/95/90/27/1109959027.db2.gz FQTOHUOWYBENRG-KGLIPLIRSA-N 2 2 365.493 4.393 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)C[C@H]1C ZINC000449026361 1109959028 /nfs/dbraw/zinc/95/90/28/1109959028.db2.gz FQTOHUOWYBENRG-KGLIPLIRSA-N 2 2 365.493 4.393 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)C[C@H]1C ZINC000449026361 1109959030 /nfs/dbraw/zinc/95/90/30/1109959030.db2.gz FQTOHUOWYBENRG-KGLIPLIRSA-N 2 2 365.493 4.393 20 0 FIADLP c1c2cccnc2oc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000449049223 1109967872 /nfs/dbraw/zinc/96/78/72/1109967872.db2.gz RGZIZRMOFDSENN-RBBKRZOGSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cccnc2oc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000449049223 1109967873 /nfs/dbraw/zinc/96/78/73/1109967873.db2.gz RGZIZRMOFDSENN-RBBKRZOGSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cccnc2oc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000449049223 1109967875 /nfs/dbraw/zinc/96/78/75/1109967875.db2.gz RGZIZRMOFDSENN-RBBKRZOGSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cccnc2oc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000449049223 1109967878 /nfs/dbraw/zinc/96/78/78/1109967878.db2.gz RGZIZRMOFDSENN-RBBKRZOGSA-N 2 2 361.489 4.314 20 0 FIADLP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000449070797 1109972265 /nfs/dbraw/zinc/97/22/65/1109972265.db2.gz LKRNDJRGAHGQOB-GCJKJVERSA-N 2 2 371.594 4.036 20 0 FIADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](c2ccsc2)N(C)C)CC1 ZINC000449070797 1109972268 /nfs/dbraw/zinc/97/22/68/1109972268.db2.gz LKRNDJRGAHGQOB-GCJKJVERSA-N 2 2 371.594 4.036 20 0 FIADLP Cc1cc(Br)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000449090521 1109978550 /nfs/dbraw/zinc/97/85/50/1109978550.db2.gz NOUFDEFYWLFSIB-ZIAGYGMSSA-N 2 2 357.723 4.127 20 0 FIADLP Cc1cc(Br)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000449090521 1109978552 /nfs/dbraw/zinc/97/85/52/1109978552.db2.gz NOUFDEFYWLFSIB-ZIAGYGMSSA-N 2 2 357.723 4.127 20 0 FIADLP C[C@H]1CSC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000449125338 1109980694 /nfs/dbraw/zinc/98/06/94/1109980694.db2.gz JAWPHDQJZROJJL-JTSKRJEESA-N 2 2 363.530 4.440 20 0 FIADLP Cc1cccc(CC[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1 ZINC000449159372 1109986942 /nfs/dbraw/zinc/98/69/42/1109986942.db2.gz ZNGLGHOSJYVLSU-FQEVSTJZSA-N 2 2 352.522 4.027 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449156320 1109987183 /nfs/dbraw/zinc/98/71/83/1109987183.db2.gz RWSAVCFOPWJILJ-PKOBYXMFSA-N 2 2 364.961 4.455 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449156318 1109987200 /nfs/dbraw/zinc/98/72/00/1109987200.db2.gz RWSAVCFOPWJILJ-IEBWSBKVSA-N 2 2 364.961 4.455 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc(CCc3ccccc3)s1)CCC2 ZINC000449168007 1109987517 /nfs/dbraw/zinc/98/75/17/1109987517.db2.gz LGCWNAOLJGKYIQ-SFHVURJKSA-N 2 2 366.534 4.100 20 0 FIADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2cccc3ccoc32)CCOCC1)c1ccccc1 ZINC000449159062 1109989570 /nfs/dbraw/zinc/98/95/70/1109989570.db2.gz XECNEOWCBQVAOB-GOSISDBHSA-N 2 2 364.489 4.422 20 0 FIADLP COC[C@@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000449180142 1109992864 /nfs/dbraw/zinc/99/28/64/1109992864.db2.gz YLWITNBPFNHHNX-WZONZLPQSA-N 2 2 370.512 4.198 20 0 FIADLP COc1cccc(Sc2ccccc2C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000449258480 1110008001 /nfs/dbraw/zinc/00/80/01/1110008001.db2.gz NDVSYKGWUXQBIT-QGZVFWFLSA-N 2 2 365.502 4.148 20 0 FIADLP CC(C)N(C)c1ccc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)cn1 ZINC000449352250 1110038958 /nfs/dbraw/zinc/03/89/58/1110038958.db2.gz VAVNNYFXHKDYFB-UHFFFAOYSA-N 2 2 369.900 4.055 20 0 FIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000449352877 1110047439 /nfs/dbraw/zinc/04/74/39/1110047439.db2.gz YVULCHNUFMFEIC-GPMSIDNRSA-N 2 2 359.901 4.211 20 0 FIADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)n3)CC2)C1 ZINC000449400692 1110057362 /nfs/dbraw/zinc/05/73/62/1110057362.db2.gz JVSOPCSIRFPSBU-WMLDXEAASA-N 2 2 355.448 4.233 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)c2ccccc2O1 ZINC000449424559 1110063380 /nfs/dbraw/zinc/06/33/80/1110063380.db2.gz JRMWSYREUYBHGV-XMSQKQJNSA-N 2 2 350.506 4.195 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cc(C)cc(C)c3)CC2)cc1 ZINC000449522694 1110098062 /nfs/dbraw/zinc/09/80/62/1110098062.db2.gz JUYRCYGMYGBAER-UHFFFAOYSA-N 2 2 365.521 4.016 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]CC3CCCCCC3)CC2)cc1 ZINC000449522283 1110098311 /nfs/dbraw/zinc/09/83/11/1110098311.db2.gz IYLUERFAHKDITA-UHFFFAOYSA-N 2 2 357.542 4.169 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC(C)(C)C[C@@H]3C)CC2)cc1 ZINC000449523567 1110098887 /nfs/dbraw/zinc/09/88/87/1110098887.db2.gz LUZLNQGUCVIQLW-HTAPYJJXSA-N 2 2 371.569 4.414 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3C(C)C)CC2)cc1 ZINC000449526612 1110099254 /nfs/dbraw/zinc/09/92/54/1110099254.db2.gz WTTDBYOGPOQOJE-FCHUYYIVSA-N 2 2 357.542 4.024 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cc(C)ccc3C)CC2)cc1 ZINC000449525602 1110099338 /nfs/dbraw/zinc/09/93/38/1110099338.db2.gz WIJZHQNBJDAERP-UHFFFAOYSA-N 2 2 365.521 4.016 20 0 FIADLP Fc1cc2[nH+]ccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2cc1Br ZINC000450254793 1110269444 /nfs/dbraw/zinc/26/94/44/1110269444.db2.gz WEYNSSGAHRCRTP-RYUDHWBXSA-N 2 2 364.262 4.175 20 0 FIADLP Fc1cc2[nH+]ccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2cc1Br ZINC000450254793 1110269447 /nfs/dbraw/zinc/26/94/47/1110269447.db2.gz WEYNSSGAHRCRTP-RYUDHWBXSA-N 2 2 364.262 4.175 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450393447 1110290655 /nfs/dbraw/zinc/29/06/55/1110290655.db2.gz PZBJOWJDPJVXIQ-ZDUSSCGKSA-N 2 2 358.848 4.220 20 0 FIADLP CC[C@H](C[NH2+]C1(c2noc(C[NH+](CC)CC)n2)CCCC1)c1ccccc1 ZINC000538408972 1111129838 /nfs/dbraw/zinc/12/98/38/1111129838.db2.gz AMQGWNBNJUFVMU-GOSISDBHSA-N 2 2 370.541 4.464 20 0 FIADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cnc2ccsc2c1 ZINC000538559690 1111193745 /nfs/dbraw/zinc/19/37/45/1111193745.db2.gz IYTKJCCEWFQTBU-YOEHRIQHSA-N 2 2 367.522 4.005 20 0 FIADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1 ZINC000538732710 1111268879 /nfs/dbraw/zinc/26/88/79/1111268879.db2.gz LNNGSNIHJLNJNN-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1 ZINC000538732710 1111268882 /nfs/dbraw/zinc/26/88/82/1111268882.db2.gz LNNGSNIHJLNJNN-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1 ZINC000538732710 1111268885 /nfs/dbraw/zinc/26/88/85/1111268885.db2.gz LNNGSNIHJLNJNN-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1 ZINC000538732710 1111268890 /nfs/dbraw/zinc/26/88/90/1111268890.db2.gz LNNGSNIHJLNJNN-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)o1 ZINC000538850036 1111318866 /nfs/dbraw/zinc/31/88/66/1111318866.db2.gz IUUCYBAVOZUKRJ-NVXWUHKLSA-N 2 2 373.928 4.098 20 0 FIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc3c(c2)OCO3)c(C)c1 ZINC000539054827 1111402268 /nfs/dbraw/zinc/40/22/68/1111402268.db2.gz RLRWSCPXULYYME-YLJYHZDGSA-N 2 2 363.461 4.321 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000539054778 1111402517 /nfs/dbraw/zinc/40/25/17/1111402517.db2.gz QICAQCLLICDCJM-VVBPWWLESA-N 2 2 353.485 4.269 20 0 FIADLP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539065128 1111415536 /nfs/dbraw/zinc/41/55/36/1111415536.db2.gz HLSBZEPAVRNLPE-XFQAVAEZSA-N 2 2 353.441 4.438 20 0 FIADLP CC(C)CC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccoc1 ZINC000552067792 1111565088 /nfs/dbraw/zinc/56/50/88/1111565088.db2.gz YDDNMKNXOLACLG-WOJBJXKFSA-N 2 2 356.514 4.404 20 0 FIADLP CC[N@H+](Cc1ncc(C)s1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000552479021 1111715421 /nfs/dbraw/zinc/71/54/21/1111715421.db2.gz FDIOFYVLAWHPLY-UHFFFAOYSA-N 2 2 373.570 4.164 20 0 FIADLP CC[N@@H+](Cc1ncc(C)s1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000552479021 1111715427 /nfs/dbraw/zinc/71/54/27/1111715427.db2.gz FDIOFYVLAWHPLY-UHFFFAOYSA-N 2 2 373.570 4.164 20 0 FIADLP C[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 ZINC000478292128 1111736876 /nfs/dbraw/zinc/73/68/76/1111736876.db2.gz XFZGHGOQBGBISG-UHFFFAOYSA-N 2 2 360.933 4.007 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCc3cc(Br)ccc31)CCC2 ZINC000479071604 1111940746 /nfs/dbraw/zinc/94/07/46/1111940746.db2.gz RSHLIVDKXCUBPY-QAPCUYQASA-N 2 2 374.326 4.499 20 0 FIADLP Clc1cccc2c(NC3CC[NH+](Cc4ccccn4)CC3)cc[nH+]c12 ZINC000553295792 1111942796 /nfs/dbraw/zinc/94/27/96/1111942796.db2.gz SEVOZKDBSMOVDN-UHFFFAOYSA-N 2 2 352.869 4.360 20 0 FIADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479484464 1112040308 /nfs/dbraw/zinc/04/03/08/1112040308.db2.gz RDEUQMBQJQNJEQ-MBKADJTMSA-N 2 2 352.444 4.315 20 0 FIADLP CC(C)[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccnc1 ZINC000479484991 1112040893 /nfs/dbraw/zinc/04/08/93/1112040893.db2.gz ARUGIEKRPCHUOT-DAWZGUTISA-N 2 2 355.448 4.174 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000479488735 1112041153 /nfs/dbraw/zinc/04/11/53/1112041153.db2.gz KOPOOHSVLRWYPO-FAHLNCGFSA-N 2 2 367.512 4.357 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000479488735 1112041158 /nfs/dbraw/zinc/04/11/58/1112041158.db2.gz KOPOOHSVLRWYPO-FAHLNCGFSA-N 2 2 367.512 4.357 20 0 FIADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Br)c(F)c1 ZINC000479507855 1112050402 /nfs/dbraw/zinc/05/04/02/1112050402.db2.gz BBSABLHVJLATSW-GRTSSRMGSA-N 2 2 355.295 4.256 20 0 FIADLP COCc1csc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000667618432 1112274441 /nfs/dbraw/zinc/27/44/41/1112274441.db2.gz YYIDVBPINFNVOU-YLJYHZDGSA-N 2 2 358.551 4.379 20 0 FIADLP COCc1csc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000667618432 1112274445 /nfs/dbraw/zinc/27/44/45/1112274445.db2.gz YYIDVBPINFNVOU-YLJYHZDGSA-N 2 2 358.551 4.379 20 0 FIADLP COCc1csc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000667618432 1112274449 /nfs/dbraw/zinc/27/44/49/1112274449.db2.gz YYIDVBPINFNVOU-YLJYHZDGSA-N 2 2 358.551 4.379 20 0 FIADLP COCc1csc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000667618432 1112274452 /nfs/dbraw/zinc/27/44/52/1112274452.db2.gz YYIDVBPINFNVOU-YLJYHZDGSA-N 2 2 358.551 4.379 20 0 FIADLP COCc1csc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000667618430 1112274493 /nfs/dbraw/zinc/27/44/93/1112274493.db2.gz YYIDVBPINFNVOU-PXNSSMCTSA-N 2 2 358.551 4.379 20 0 FIADLP COCc1csc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000667618430 1112274497 /nfs/dbraw/zinc/27/44/97/1112274497.db2.gz YYIDVBPINFNVOU-PXNSSMCTSA-N 2 2 358.551 4.379 20 0 FIADLP COCc1csc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000667618430 1112274501 /nfs/dbraw/zinc/27/45/01/1112274501.db2.gz YYIDVBPINFNVOU-PXNSSMCTSA-N 2 2 358.551 4.379 20 0 FIADLP COCc1csc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000667618430 1112274505 /nfs/dbraw/zinc/27/45/05/1112274505.db2.gz YYIDVBPINFNVOU-PXNSSMCTSA-N 2 2 358.551 4.379 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000554374846 1112325604 /nfs/dbraw/zinc/32/56/04/1112325604.db2.gz BIPKZHYSQLDHPQ-OPAMFIHVSA-N 2 2 366.484 4.273 20 0 FIADLP Clc1cc2cccnc2c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000554861896 1112527645 /nfs/dbraw/zinc/52/76/45/1112527645.db2.gz XJZUEJMRBMBSJJ-UHFFFAOYSA-N 2 2 362.864 4.423 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(F)c1 ZINC000480754991 1112579351 /nfs/dbraw/zinc/57/93/51/1112579351.db2.gz FXPYURSTRMRUBR-QGZVFWFLSA-N 2 2 356.485 4.192 20 0 FIADLP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1F ZINC000480743957 1112581629 /nfs/dbraw/zinc/58/16/29/1112581629.db2.gz JJRGMOSGWORPKI-QUCCMNQESA-N 2 2 371.500 4.226 20 0 FIADLP FC(F)(F)c1ccc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)nc1 ZINC001168364466 1112591702 /nfs/dbraw/zinc/59/17/02/1112591702.db2.gz CXOIBHJFVRVZEB-SFHVURJKSA-N 2 2 353.432 4.016 20 0 FIADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000554972901 1112599860 /nfs/dbraw/zinc/59/98/60/1112599860.db2.gz ZAKOHBORJAMJEW-QXSWTLKVSA-N 2 2 361.436 4.363 20 0 FIADLP CO[C@H](C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000555014691 1112622842 /nfs/dbraw/zinc/62/28/42/1112622842.db2.gz KGRNZOPZEJIRCI-WTIAFYNJSA-N 2 2 352.522 4.359 20 0 FIADLP CO[C@H](C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000555014691 1112622846 /nfs/dbraw/zinc/62/28/46/1112622846.db2.gz KGRNZOPZEJIRCI-WTIAFYNJSA-N 2 2 352.522 4.359 20 0 FIADLP CO[C@H](C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000555014691 1112622850 /nfs/dbraw/zinc/62/28/50/1112622850.db2.gz KGRNZOPZEJIRCI-WTIAFYNJSA-N 2 2 352.522 4.359 20 0 FIADLP CO[C@H](C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000555014691 1112622855 /nfs/dbraw/zinc/62/28/55/1112622855.db2.gz KGRNZOPZEJIRCI-WTIAFYNJSA-N 2 2 352.522 4.359 20 0 FIADLP Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1C ZINC000481295189 1112862506 /nfs/dbraw/zinc/86/25/06/1112862506.db2.gz NQZTYSAXRPYAEQ-HXUWFJFHSA-N 2 2 352.522 4.295 20 0 FIADLP Cc1nocc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000555552981 1112921841 /nfs/dbraw/zinc/92/18/41/1112921841.db2.gz KQGYHDZBCUOYIH-CRAIPNDOSA-N 2 2 367.415 4.175 20 0 FIADLP Cc1nocc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000555552981 1112921843 /nfs/dbraw/zinc/92/18/43/1112921843.db2.gz KQGYHDZBCUOYIH-CRAIPNDOSA-N 2 2 367.415 4.175 20 0 FIADLP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000481417066 1112936052 /nfs/dbraw/zinc/93/60/52/1112936052.db2.gz ZWFWNKARGVUADU-QRWLVFNGSA-N 2 2 355.869 4.392 20 0 FIADLP CSc1ccc([C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)N(C)C)cc1 ZINC000555645345 1112956037 /nfs/dbraw/zinc/95/60/37/1112956037.db2.gz XSPBPRMPOOGASJ-IBGZPJMESA-N 2 2 372.563 4.048 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)CCC2 ZINC000481648640 1113006531 /nfs/dbraw/zinc/00/65/31/1113006531.db2.gz ZGFXITXAOOLUBE-BBRMVZONSA-N 2 2 351.416 4.309 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc2cc(Br)ccc2o1 ZINC000157794402 1113119700 /nfs/dbraw/zinc/11/97/00/1113119700.db2.gz HZNOZXVWNIYHFG-HUBLWGQQSA-N 2 2 351.288 4.329 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc2cc(Br)ccc2o1 ZINC000157794402 1113119703 /nfs/dbraw/zinc/11/97/03/1113119703.db2.gz HZNOZXVWNIYHFG-HUBLWGQQSA-N 2 2 351.288 4.329 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccncc3)ccc2OC)C[C@@H]1C ZINC000481991670 1113146635 /nfs/dbraw/zinc/14/66/35/1113146635.db2.gz OXUFWQHEUTXVNN-LAUBAEHRSA-N 2 2 353.510 4.062 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccncc3)ccc2OC)C[C@@H]1C ZINC000481991670 1113146636 /nfs/dbraw/zinc/14/66/36/1113146636.db2.gz OXUFWQHEUTXVNN-LAUBAEHRSA-N 2 2 353.510 4.062 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccncc3)ccc2OC)C[C@@H]1C ZINC000481991670 1113146639 /nfs/dbraw/zinc/14/66/39/1113146639.db2.gz OXUFWQHEUTXVNN-LAUBAEHRSA-N 2 2 353.510 4.062 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccncc3)ccc2OC)C[C@@H]1C ZINC000481991670 1113146640 /nfs/dbraw/zinc/14/66/40/1113146640.db2.gz OXUFWQHEUTXVNN-LAUBAEHRSA-N 2 2 353.510 4.062 20 0 FIADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000482462123 1113268369 /nfs/dbraw/zinc/26/83/69/1113268369.db2.gz UVTZSSFLJFSYGV-NTKDMRAZSA-N 3 2 374.532 4.028 20 0 FIADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000482462123 1113268372 /nfs/dbraw/zinc/26/83/72/1113268372.db2.gz UVTZSSFLJFSYGV-NTKDMRAZSA-N 3 2 374.532 4.028 20 0 FIADLP FC(F)(F)CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1 ZINC000668055121 1113272460 /nfs/dbraw/zinc/27/24/60/1113272460.db2.gz SGALKJWZVWGHLX-UHFFFAOYSA-N 2 2 360.383 4.222 20 0 FIADLP FC(F)(F)CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1 ZINC000668055121 1113272462 /nfs/dbraw/zinc/27/24/62/1113272462.db2.gz SGALKJWZVWGHLX-UHFFFAOYSA-N 2 2 360.383 4.222 20 0 FIADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000482642653 1113318279 /nfs/dbraw/zinc/31/82/79/1113318279.db2.gz NOJHXPJMEQCPRS-SWLSCSKDSA-N 2 2 372.456 4.007 20 0 FIADLP COc1ccc2oc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)cc2c1 ZINC000482721645 1113343138 /nfs/dbraw/zinc/34/31/38/1113343138.db2.gz GQXBCVMODXHZEW-VGOFRKELSA-N 2 2 364.489 4.442 20 0 FIADLP COc1ccc2oc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cc2c1 ZINC000482721645 1113343142 /nfs/dbraw/zinc/34/31/42/1113343142.db2.gz GQXBCVMODXHZEW-VGOFRKELSA-N 2 2 364.489 4.442 20 0 FIADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000194555245 1113408773 /nfs/dbraw/zinc/40/87/73/1113408773.db2.gz BNODYOKQCNBPEL-SNVBAGLBSA-N 2 2 351.294 4.272 20 0 FIADLP COc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000489677569 1114156433 /nfs/dbraw/zinc/15/64/33/1114156433.db2.gz KPUXUEZEJXCXOM-UHFFFAOYSA-N 2 2 358.913 4.445 20 0 FIADLP COc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000489677569 1114156435 /nfs/dbraw/zinc/15/64/35/1114156435.db2.gz KPUXUEZEJXCXOM-UHFFFAOYSA-N 2 2 358.913 4.445 20 0 FIADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490991155 1114360467 /nfs/dbraw/zinc/36/04/67/1114360467.db2.gz XHXZEXZOPBOUCR-ZRGWGRIASA-N 2 2 370.368 4.012 20 0 FIADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490991155 1114360473 /nfs/dbraw/zinc/36/04/73/1114360473.db2.gz XHXZEXZOPBOUCR-ZRGWGRIASA-N 2 2 370.368 4.012 20 0 FIADLP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000491019704 1114362145 /nfs/dbraw/zinc/36/21/45/1114362145.db2.gz LGESSCDMXFYBPT-RCZVLFRGSA-N 2 2 371.528 4.325 20 0 FIADLP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000491019704 1114362148 /nfs/dbraw/zinc/36/21/48/1114362148.db2.gz LGESSCDMXFYBPT-RCZVLFRGSA-N 2 2 371.528 4.325 20 0 FIADLP Fc1cc(Br)cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000054810086 1114395867 /nfs/dbraw/zinc/39/58/67/1114395867.db2.gz BDATXWFGGPPVIE-UHFFFAOYSA-N 2 2 360.230 4.064 20 0 FIADLP C[C@H]1C[C@@H](C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000509446303 1114529296 /nfs/dbraw/zinc/52/92/96/1114529296.db2.gz HPVTYPLXKAVYTR-RXOYHEDQSA-N 2 2 364.533 4.059 20 0 FIADLP C[C@H]1C[C@@H](C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000509446303 1114529300 /nfs/dbraw/zinc/52/93/00/1114529300.db2.gz HPVTYPLXKAVYTR-RXOYHEDQSA-N 2 2 364.533 4.059 20 0 FIADLP Brc1cccc2c(N3CC[NH+](C4CCCC4)CC3)cc[nH+]c12 ZINC000588160081 1114530421 /nfs/dbraw/zinc/53/04/21/1114530421.db2.gz AZZDKKIOMXHDOU-UHFFFAOYSA-N 2 2 360.299 4.062 20 0 FIADLP COc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1OC1CCCC1 ZINC000573793193 1115181324 /nfs/dbraw/zinc/18/13/24/1115181324.db2.gz WUCNMNOENGXXAW-VQTJNVASSA-N 2 2 352.478 4.251 20 0 FIADLP C[C@@H]([NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000592403853 1115224022 /nfs/dbraw/zinc/22/40/22/1115224022.db2.gz OEMPOWCQFBRHEC-BPQIPLTHSA-N 2 2 355.482 4.033 20 0 FIADLP COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000595022181 1115504742 /nfs/dbraw/zinc/50/47/42/1115504742.db2.gz KFHBQQRGRXOYTG-QUCCMNQESA-N 2 2 371.525 4.199 20 0 FIADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000669615388 1115668404 /nfs/dbraw/zinc/66/84/04/1115668404.db2.gz RCIJBMGVZGOTTJ-SFTDATJTSA-N 2 2 361.489 4.380 20 0 FIADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1SC(F)(F)F ZINC000173529048 1116074697 /nfs/dbraw/zinc/07/46/97/1116074697.db2.gz DKIVLUXVKIVIMG-TZMCWYRMSA-N 2 2 362.461 4.222 20 0 FIADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1SC(F)(F)F ZINC000173529048 1116074699 /nfs/dbraw/zinc/07/46/99/1116074699.db2.gz DKIVLUXVKIVIMG-TZMCWYRMSA-N 2 2 362.461 4.222 20 0 FIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1SC(F)(F)F ZINC000173529048 1116074701 /nfs/dbraw/zinc/07/47/01/1116074701.db2.gz DKIVLUXVKIVIMG-TZMCWYRMSA-N 2 2 362.461 4.222 20 0 FIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1SC(F)(F)F ZINC000173529048 1116074703 /nfs/dbraw/zinc/07/47/03/1116074703.db2.gz DKIVLUXVKIVIMG-TZMCWYRMSA-N 2 2 362.461 4.222 20 0 FIADLP CC(C)C[NH+]1CCC([NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000534058881 1116153391 /nfs/dbraw/zinc/15/33/91/1116153391.db2.gz HJUPJXKUOCNZDZ-KRWDZBQOSA-N 2 2 369.322 4.286 20 0 FIADLP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000534473208 1116206740 /nfs/dbraw/zinc/20/67/40/1116206740.db2.gz SZHWFHZGQCGDON-NRFANRHFSA-N 2 2 371.488 4.195 20 0 FIADLP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000534473208 1116206741 /nfs/dbraw/zinc/20/67/41/1116206741.db2.gz SZHWFHZGQCGDON-NRFANRHFSA-N 2 2 371.488 4.195 20 0 FIADLP CC[C@@H](C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000546869830 1116241050 /nfs/dbraw/zinc/24/10/50/1116241050.db2.gz NCNBCFPKXDJLAA-LEWJYISDSA-N 2 2 357.929 4.483 20 0 FIADLP CCN(Cc1cc(OC)cc(C)[nH+]1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000535286135 1116290316 /nfs/dbraw/zinc/29/03/16/1116290316.db2.gz YONXTHZMBJKOJH-NQIIRXRSSA-N 2 2 353.510 4.056 20 0 FIADLP CCN(Cc1cc(OC)cc(C)[nH+]1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000535286135 1116290318 /nfs/dbraw/zinc/29/03/18/1116290318.db2.gz YONXTHZMBJKOJH-NQIIRXRSSA-N 2 2 353.510 4.056 20 0 FIADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000535506170 1116315515 /nfs/dbraw/zinc/31/55/15/1116315515.db2.gz ASUJSSNSIBUTRW-HWWQOWPSSA-N 2 2 355.295 4.038 20 0 FIADLP CCOc1ccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000539689350 1116365978 /nfs/dbraw/zinc/36/59/78/1116365978.db2.gz XCLOCWBALUNSLL-QGZVFWFLSA-N 2 2 368.525 4.184 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCCc4sccc43)[nH+]c2)CC1 ZINC000539689740 1116366087 /nfs/dbraw/zinc/36/60/87/1116366087.db2.gz QFCSDJZTUKUMKF-GOSISDBHSA-N 2 2 356.539 4.163 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@H]3c3ccccc3)[nH+]c2)CC1 ZINC000539691272 1116366092 /nfs/dbraw/zinc/36/60/92/1116366092.db2.gz XWJDDSPNWBYQBT-FCHUYYIVSA-N 2 2 364.537 4.360 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000539733093 1116373030 /nfs/dbraw/zinc/37/30/30/1116373030.db2.gz HROFOADJKOKQAN-UTKZUKDTSA-N 2 2 364.468 4.334 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000539733093 1116373033 /nfs/dbraw/zinc/37/30/33/1116373033.db2.gz HROFOADJKOKQAN-UTKZUKDTSA-N 2 2 364.468 4.334 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000539733092 1116373176 /nfs/dbraw/zinc/37/31/76/1116373176.db2.gz HROFOADJKOKQAN-LAUBAEHRSA-N 2 2 364.468 4.334 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000539733092 1116373178 /nfs/dbraw/zinc/37/31/78/1116373178.db2.gz HROFOADJKOKQAN-LAUBAEHRSA-N 2 2 364.468 4.334 20 0 FIADLP CC[N@H+](C/C=C\c1ccccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539817734 1116384420 /nfs/dbraw/zinc/38/44/20/1116384420.db2.gz MFJMEHYZRREPRX-NTMALXAHSA-N 2 2 365.521 4.342 20 0 FIADLP CC[N@@H+](C/C=C\c1ccccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539817734 1116384421 /nfs/dbraw/zinc/38/44/21/1116384421.db2.gz MFJMEHYZRREPRX-NTMALXAHSA-N 2 2 365.521 4.342 20 0 FIADLP FC(F)COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000462751555 1117745015 /nfs/dbraw/zinc/74/50/15/1117745015.db2.gz YTQMKJMEJNLSJI-LJQANCHMSA-N 2 2 360.448 4.085 20 0 FIADLP FC(F)COc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000462751555 1117745019 /nfs/dbraw/zinc/74/50/19/1117745019.db2.gz YTQMKJMEJNLSJI-LJQANCHMSA-N 2 2 360.448 4.085 20 0 FIADLP COc1cccc([C@@H](C)[NH+]2CCN(c3cc[nH+]c4ccsc43)CC2)c1 ZINC000462814759 1117792700 /nfs/dbraw/zinc/79/27/00/1117792700.db2.gz GFGALRMEEVBXOF-OAHLLOKOSA-N 2 2 353.491 4.188 20 0 FIADLP COCCCCc1ccc[nH+]c1N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462830850 1117801322 /nfs/dbraw/zinc/80/13/22/1117801322.db2.gz AYYHTYVUNJKWMP-SIKLNZKXSA-N 2 2 367.537 4.373 20 0 FIADLP COCCCCc1ccc[nH+]c1N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462830850 1117801332 /nfs/dbraw/zinc/80/13/32/1117801332.db2.gz AYYHTYVUNJKWMP-SIKLNZKXSA-N 2 2 367.537 4.373 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000540145514 1117896900 /nfs/dbraw/zinc/89/69/00/1117896900.db2.gz SGGHMVQSKHDHFR-AZUAARDMSA-N 2 2 367.537 4.402 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000540145514 1117896911 /nfs/dbraw/zinc/89/69/11/1117896911.db2.gz SGGHMVQSKHDHFR-AZUAARDMSA-N 2 2 367.537 4.402 20 0 FIADLP C[C@H]1C[C@H]([NH2+]CCC[NH+](C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463130735 1117978467 /nfs/dbraw/zinc/97/84/67/1117978467.db2.gz IHTPYYSHVZIRBT-XUZZJYLKSA-N 3 2 365.565 4.151 20 0 FIADLP C[C@H]1C[C@H]([NH2+]CCC[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463130735 1117978470 /nfs/dbraw/zinc/97/84/70/1117978470.db2.gz IHTPYYSHVZIRBT-XUZZJYLKSA-N 3 2 365.565 4.151 20 0 FIADLP C[C@H]1C[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463130735 1117978472 /nfs/dbraw/zinc/97/84/72/1117978472.db2.gz IHTPYYSHVZIRBT-XUZZJYLKSA-N 3 2 365.565 4.151 20 0 FIADLP C[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463130735 1117978474 /nfs/dbraw/zinc/97/84/74/1117978474.db2.gz IHTPYYSHVZIRBT-XUZZJYLKSA-N 3 2 365.565 4.151 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(F)c1F ZINC000463283715 1118069246 /nfs/dbraw/zinc/06/92/46/1118069246.db2.gz PBYFCPPTXUCKBU-OAHLLOKOSA-N 2 2 362.439 4.462 20 0 FIADLP CCC1(CC)[C@H]([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)C[C@H]1OC ZINC000540594141 1118138360 /nfs/dbraw/zinc/13/83/60/1118138360.db2.gz YLFVMEWVDXSNQU-HMXCVIKNSA-N 2 2 374.569 4.070 20 0 FIADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C12CCCCC2 ZINC000540597505 1118139557 /nfs/dbraw/zinc/13/95/57/1118139557.db2.gz TWXGGRICDSXTSV-NHCUHLMSSA-N 2 2 353.510 4.149 20 0 FIADLP Cc1ccc([C@@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)C2CC2)cc1 ZINC000540757139 1118225093 /nfs/dbraw/zinc/22/50/93/1118225093.db2.gz ZHKBRGBAMNZFPG-IFMALSPDSA-N 2 2 350.510 4.094 20 0 FIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCSc4c(F)cccc43)[nH+]c2)C1 ZINC000540757872 1118225621 /nfs/dbraw/zinc/22/56/21/1118225621.db2.gz LNPWOKZBVCQHJC-MAUKXSAKSA-N 2 2 372.513 4.010 20 0 FIADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc2ccccc2o1 ZINC000540758605 1118225800 /nfs/dbraw/zinc/22/58/00/1118225800.db2.gz LWZVHBOWMLUYJG-YJBOKZPZSA-N 2 2 350.466 4.141 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCCc4ccccc43)[nH+]c2)CC1 ZINC000540789731 1118247527 /nfs/dbraw/zinc/24/75/27/1118247527.db2.gz UBFTXYLTCCFWFK-NRFANRHFSA-N 2 2 350.510 4.102 20 0 FIADLP C[C@H](CCc1cccc(F)c1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000540788775 1118247748 /nfs/dbraw/zinc/24/77/48/1118247748.db2.gz LLJSUKDJZCOAJV-QGZVFWFLSA-N 2 2 370.516 4.184 20 0 FIADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(F)c1F ZINC000540789147 1118248371 /nfs/dbraw/zinc/24/83/71/1118248371.db2.gz LXMHVTDQRRMVNV-CQSZACIVSA-N 2 2 360.452 4.063 20 0 FIADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc2c(c1)CCC2 ZINC000540790026 1118248999 /nfs/dbraw/zinc/24/89/99/1118248999.db2.gz BDDVESXSIPMHMQ-QGZVFWFLSA-N 2 2 364.537 4.274 20 0 FIADLP CSC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1 ZINC000540990663 1118340693 /nfs/dbraw/zinc/34/06/93/1118340693.db2.gz SPLVIBPDHWOCNW-YESZJQIVSA-N 2 2 358.473 4.326 20 0 FIADLP CSC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1 ZINC000540990663 1118340697 /nfs/dbraw/zinc/34/06/97/1118340697.db2.gz SPLVIBPDHWOCNW-YESZJQIVSA-N 2 2 358.473 4.326 20 0 FIADLP C[C@@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599101 1118574445 /nfs/dbraw/zinc/57/44/45/1118574445.db2.gz GTTKIZMYUFNTIB-WBVHZDCISA-N 2 2 357.473 4.223 20 0 FIADLP C[C@@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599101 1118574448 /nfs/dbraw/zinc/57/44/48/1118574448.db2.gz GTTKIZMYUFNTIB-WBVHZDCISA-N 2 2 357.473 4.223 20 0 FIADLP CCC[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1)c1cccnc1 ZINC000541744160 1118630073 /nfs/dbraw/zinc/63/00/73/1118630073.db2.gz DOUZHKFUXCJAIB-QHCPKHFHSA-N 2 2 366.553 4.033 20 0 FIADLP CC[N@@H+](Cc1cc(Cl)ccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806307 1118707537 /nfs/dbraw/zinc/70/75/37/1118707537.db2.gz PXGFZICGFVEVDD-UHFFFAOYSA-N 2 2 373.928 4.482 20 0 FIADLP CC[N@H+](Cc1cc(Cl)ccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806307 1118707543 /nfs/dbraw/zinc/70/75/43/1118707543.db2.gz PXGFZICGFVEVDD-UHFFFAOYSA-N 2 2 373.928 4.482 20 0 FIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1nc3c(s1)C[N@H+](C(C)C)CC3)CCC2 ZINC000492417048 1119086673 /nfs/dbraw/zinc/08/66/73/1119086673.db2.gz MGJZRCKKZOVMCA-GOSISDBHSA-N 2 2 355.551 4.385 20 0 FIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1nc3c(s1)C[N@@H+](C(C)C)CC3)CCC2 ZINC000492417048 1119086678 /nfs/dbraw/zinc/08/66/78/1119086678.db2.gz MGJZRCKKZOVMCA-GOSISDBHSA-N 2 2 355.551 4.385 20 0 FIADLP C[C@H]([NH2+]Cc1coc(-c2cccs2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492463001 1119098231 /nfs/dbraw/zinc/09/82/31/1119098231.db2.gz HRXMWOYZGFQBQA-WMZOPIPTSA-N 2 2 367.518 4.403 20 0 FIADLP C[C@H]([NH2+]Cc1coc(-c2cccs2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492463001 1119098234 /nfs/dbraw/zinc/09/82/34/1119098234.db2.gz HRXMWOYZGFQBQA-WMZOPIPTSA-N 2 2 367.518 4.403 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCc3cc(Br)cc(C)c31)CCC2 ZINC000493763160 1119492392 /nfs/dbraw/zinc/49/23/92/1119492392.db2.gz DPRVPEDFMXGECI-RDJZCZTQSA-N 2 2 374.326 4.417 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(Br)c(Cl)c1)CCC2 ZINC000494144129 1119546290 /nfs/dbraw/zinc/54/62/90/1119546290.db2.gz DXFRKVLSZJSSLY-CYBMUJFWSA-N 2 2 368.706 4.275 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183196424 1119568469 /nfs/dbraw/zinc/56/84/69/1119568469.db2.gz NHPKBHIHABRBKT-BBTUJRGHSA-N 3 2 366.553 4.484 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183196424 1119568470 /nfs/dbraw/zinc/56/84/70/1119568470.db2.gz NHPKBHIHABRBKT-BBTUJRGHSA-N 3 2 366.553 4.484 20 0 FIADLP CCSc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000185541049 1119671083 /nfs/dbraw/zinc/67/10/83/1119671083.db2.gz GZMLQBMZQAKGKN-LAUBAEHRSA-N 2 2 355.551 4.194 20 0 FIADLP CCSc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000185541049 1119671088 /nfs/dbraw/zinc/67/10/88/1119671088.db2.gz GZMLQBMZQAKGKN-LAUBAEHRSA-N 2 2 355.551 4.194 20 0 FIADLP FC(F)(F)c1cccc(-c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)o2)c1 ZINC000494390715 1119843008 /nfs/dbraw/zinc/84/30/08/1119843008.db2.gz HFGGTELVCFKPOI-HNNXBMFYSA-N 2 2 361.367 4.267 20 0 FIADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)c(F)c1)CCS2 ZINC000191501394 1119980172 /nfs/dbraw/zinc/98/01/72/1119980172.db2.gz PYNKIIZBGIHZNI-SFHVURJKSA-N 2 2 369.465 4.347 20 0 FIADLP COc1cc(Br)ccc1[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000191631153 1119987777 /nfs/dbraw/zinc/98/77/77/1119987777.db2.gz KEJQMALPWJSADC-ZDUSSCGKSA-N 2 2 369.347 4.371 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192135465 1120026642 /nfs/dbraw/zinc/02/66/42/1120026642.db2.gz CDKHPZUQNYKQHC-SFTDATJTSA-N 2 2 369.415 4.079 20 0 FIADLP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000192148395 1120029740 /nfs/dbraw/zinc/02/97/40/1120029740.db2.gz BFLXJSPBGUZPSS-MRXNPFEDSA-N 2 2 351.450 4.049 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000192157403 1120032365 /nfs/dbraw/zinc/03/23/65/1120032365.db2.gz PLWFXDYRSICIIP-GOSISDBHSA-N 2 2 357.461 4.217 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000192157053 1120032606 /nfs/dbraw/zinc/03/26/06/1120032606.db2.gz VAYOHVNVYRGXJC-GOSISDBHSA-N 2 2 357.461 4.217 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000192160798 1120033029 /nfs/dbraw/zinc/03/30/29/1120033029.db2.gz CJDXOXZVESSTHI-XXBNENTESA-N 2 2 361.489 4.438 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc2c(s1)CCCC2 ZINC000195134119 1120120502 /nfs/dbraw/zinc/12/05/02/1120120502.db2.gz JIXWVXXTDUCYEH-SJLPKXTDSA-N 2 2 355.551 4.195 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2c(s1)CCCC2 ZINC000195134119 1120120503 /nfs/dbraw/zinc/12/05/03/1120120503.db2.gz JIXWVXXTDUCYEH-SJLPKXTDSA-N 2 2 355.551 4.195 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495002315 1120419784 /nfs/dbraw/zinc/41/97/84/1120419784.db2.gz XVBXEXAQWSTLBJ-BBWFWOEESA-N 2 2 354.498 4.130 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495002315 1120419791 /nfs/dbraw/zinc/41/97/91/1120419791.db2.gz XVBXEXAQWSTLBJ-BBWFWOEESA-N 2 2 354.498 4.130 20 0 FIADLP COc1ccc(Cl)cc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000237096090 1120972997 /nfs/dbraw/zinc/97/29/97/1120972997.db2.gz FVLYPAOMVMLYCC-UHFFFAOYSA-N 2 2 358.913 4.145 20 0 FIADLP COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000237178644 1120974474 /nfs/dbraw/zinc/97/44/74/1120974474.db2.gz IYIQBPTVNCXHSA-KRWDZBQOSA-N 2 2 367.518 4.399 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000237697760 1120982307 /nfs/dbraw/zinc/98/23/07/1120982307.db2.gz QDYSJDFCDZZRLY-CVDCTZTESA-N 2 2 374.532 4.323 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000237697760 1120982309 /nfs/dbraw/zinc/98/23/09/1120982309.db2.gz QDYSJDFCDZZRLY-CVDCTZTESA-N 2 2 374.532 4.323 20 0 FIADLP CCCn1c(C[NH2+]CCC[N@H+](C)Cc2ccccc2)nc2ccccc21 ZINC000394076535 1121118957 /nfs/dbraw/zinc/11/89/57/1121118957.db2.gz ROJJFUCDYLCIEV-UHFFFAOYSA-N 2 2 350.510 4.058 20 0 FIADLP CCCn1c(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)nc2ccccc21 ZINC000394076535 1121118963 /nfs/dbraw/zinc/11/89/63/1121118963.db2.gz ROJJFUCDYLCIEV-UHFFFAOYSA-N 2 2 350.510 4.058 20 0 FIADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(F)c1 ZINC000397985154 1121330620 /nfs/dbraw/zinc/33/06/20/1121330620.db2.gz NZJYMDREQZEPAW-PNLZDCPESA-N 2 2 356.485 4.396 20 0 FIADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(F)c1 ZINC000397985154 1121330632 /nfs/dbraw/zinc/33/06/32/1121330632.db2.gz NZJYMDREQZEPAW-PNLZDCPESA-N 2 2 356.485 4.396 20 0 FIADLP CCOc1cc2c(cc1C[NH2+]C1CC[NH+](C3CCCCC3)CC1)O[C@@H](C)C2 ZINC001649054907 1121363874 /nfs/dbraw/zinc/36/38/74/1121363874.db2.gz QCXDXXSVJLGSRS-KRWDZBQOSA-N 2 2 372.553 4.295 20 0 FIADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000060524063 1121480084 /nfs/dbraw/zinc/48/00/84/1121480084.db2.gz BDCSPXZLWDUDEL-IBGZPJMESA-N 2 2 371.488 4.223 20 0 FIADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671761360 1121790174 /nfs/dbraw/zinc/79/01/74/1121790174.db2.gz XITOJDSMACUEAW-KSFYIVLOSA-N 2 2 365.477 4.239 20 0 FIADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671761360 1121790181 /nfs/dbraw/zinc/79/01/81/1121790181.db2.gz XITOJDSMACUEAW-KSFYIVLOSA-N 2 2 365.477 4.239 20 0 FIADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000497383375 1122192608 /nfs/dbraw/zinc/19/26/08/1122192608.db2.gz FXYVVYXOBCNZGI-OAHLLOKOSA-N 2 2 363.427 4.290 20 0 FIADLP C[C@@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000129445927 1122603111 /nfs/dbraw/zinc/60/31/11/1122603111.db2.gz NEOHMHSXYGAUGF-DOMZBBRYSA-N 2 2 364.371 4.126 20 0 FIADLP C[C@@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000129445927 1122603117 /nfs/dbraw/zinc/60/31/17/1122603117.db2.gz NEOHMHSXYGAUGF-DOMZBBRYSA-N 2 2 364.371 4.126 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)s2)C[C@@H]1c1ccccc1 ZINC000556057388 1122627998 /nfs/dbraw/zinc/62/79/98/1122627998.db2.gz CBLCPJILSVMHMQ-GOEBONIOSA-N 2 2 365.340 4.436 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)s2)C[C@@H]1c1ccccc1 ZINC000556057388 1122628002 /nfs/dbraw/zinc/62/80/02/1122628002.db2.gz CBLCPJILSVMHMQ-GOEBONIOSA-N 2 2 365.340 4.436 20 0 FIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000556236575 1122753536 /nfs/dbraw/zinc/75/35/36/1122753536.db2.gz RUPAHAVFBVZGGA-GOTSBHOMSA-N 2 2 368.521 4.069 20 0 FIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000556236575 1122753539 /nfs/dbraw/zinc/75/35/39/1122753539.db2.gz RUPAHAVFBVZGGA-GOTSBHOMSA-N 2 2 368.521 4.069 20 0 FIADLP Fc1cccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]2CCCO2)c1 ZINC000072073510 1122981780 /nfs/dbraw/zinc/98/17/80/1122981780.db2.gz VMWULQFQMPASMZ-QFIPXVFZSA-N 2 2 365.452 4.193 20 0 FIADLP Fc1cccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]2CCCO2)c1 ZINC000072073510 1122981781 /nfs/dbraw/zinc/98/17/81/1122981781.db2.gz VMWULQFQMPASMZ-QFIPXVFZSA-N 2 2 365.452 4.193 20 0 FIADLP Cc1ccccc1C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000556589317 1122983851 /nfs/dbraw/zinc/98/38/51/1122983851.db2.gz SXKLCQMOXFPFRD-HSZRJFAPSA-N 2 2 359.517 4.393 20 0 FIADLP C[NH+](C)[C@]1(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCSC1 ZINC000556871011 1123153792 /nfs/dbraw/zinc/15/37/92/1123153792.db2.gz IFBBKGTYXVLTLB-IRXDYDNUSA-N 2 2 374.472 4.063 20 0 FIADLP CC(C)c1oc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)nc1-c1ccccc1 ZINC000499053299 1123174321 /nfs/dbraw/zinc/17/43/21/1123174321.db2.gz MKUYOYALSZUKBA-SFHVURJKSA-N 2 2 350.466 4.499 20 0 FIADLP CC(C)c1oc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)nc1-c1ccccc1 ZINC000499053299 1123174323 /nfs/dbraw/zinc/17/43/23/1123174323.db2.gz MKUYOYALSZUKBA-SFHVURJKSA-N 2 2 350.466 4.499 20 0 FIADLP Fc1ccc2c(c1)[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCCO2 ZINC000132145706 1123222596 /nfs/dbraw/zinc/22/25/96/1123222596.db2.gz IHBRENVZKXNRLM-HXUWFJFHSA-N 2 2 365.452 4.117 20 0 FIADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)C1 ZINC000556934431 1123247517 /nfs/dbraw/zinc/24/75/17/1123247517.db2.gz VDZREJXZBGQTDW-LJQANCHMSA-N 2 2 361.942 4.381 20 0 FIADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)C1 ZINC000556934431 1123247520 /nfs/dbraw/zinc/24/75/20/1123247520.db2.gz VDZREJXZBGQTDW-LJQANCHMSA-N 2 2 361.942 4.381 20 0 FIADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)C1 ZINC000556934431 1123247524 /nfs/dbraw/zinc/24/75/24/1123247524.db2.gz VDZREJXZBGQTDW-LJQANCHMSA-N 2 2 361.942 4.381 20 0 FIADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)C1 ZINC000556934431 1123247529 /nfs/dbraw/zinc/24/75/29/1123247529.db2.gz VDZREJXZBGQTDW-LJQANCHMSA-N 2 2 361.942 4.381 20 0 FIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+]Cc3cncs3)cc2)c[nH+]1 ZINC000136042231 1123827920 /nfs/dbraw/zinc/82/79/20/1123827920.db2.gz PYHFTFIUUMHVOX-UHFFFAOYSA-N 2 2 360.486 4.345 20 0 FIADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCCNc2cccc[nH+]2)C3)cc1 ZINC000245744320 1124233555 /nfs/dbraw/zinc/23/35/55/1124233555.db2.gz SFFQCQOYPDZIFA-DKUWSORSSA-N 3 2 364.537 4.059 20 0 FIADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCCNc2cccc[nH+]2)C3)cc1 ZINC000245744320 1124233559 /nfs/dbraw/zinc/23/35/59/1124233559.db2.gz SFFQCQOYPDZIFA-DKUWSORSSA-N 3 2 364.537 4.059 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cc(F)ccc1F ZINC000246928971 1124574704 /nfs/dbraw/zinc/57/47/04/1124574704.db2.gz HBHRMBOXRNUENF-JKSUJKDBSA-N 2 2 360.448 4.036 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCCc1ccccc1 ZINC000247101003 1124590193 /nfs/dbraw/zinc/59/01/93/1124590193.db2.gz SGQSGWPLVGDHCV-NZQKXSOJSA-N 2 2 351.538 4.295 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCCc1ccccc1 ZINC000247101003 1124590197 /nfs/dbraw/zinc/59/01/97/1124590197.db2.gz SGQSGWPLVGDHCV-NZQKXSOJSA-N 2 2 351.538 4.295 20 0 FIADLP COc1ccc([C@H]2C[C@H]([N@H+](C3CCCC3)C3CC[NH+](C)CC3)CCO2)cc1 ZINC001168670435 1124701571 /nfs/dbraw/zinc/70/15/71/1124701571.db2.gz ALGQHWLHQMTYCK-FYYLOGMGSA-N 2 2 372.553 4.254 20 0 FIADLP COc1ccc([C@H]2C[C@H]([N@@H+](C3CCCC3)C3CC[NH+](C)CC3)CCO2)cc1 ZINC001168670435 1124701575 /nfs/dbraw/zinc/70/15/75/1124701575.db2.gz ALGQHWLHQMTYCK-FYYLOGMGSA-N 2 2 372.553 4.254 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000090524208 1125001239 /nfs/dbraw/zinc/00/12/39/1125001239.db2.gz NCHJSZQOMOMGIC-AGRHKRQWSA-N 2 2 371.352 4.412 20 0 FIADLP CS[C@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000922078115 1125291060 /nfs/dbraw/zinc/29/10/60/1125291060.db2.gz XRDHDRXNOKUFGT-LBDPXKHJSA-N 2 2 350.494 4.056 20 0 FIADLP CC[N@@H+](Cc1cnc(C2CC2)s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564735 1125440756 /nfs/dbraw/zinc/44/07/56/1125440756.db2.gz HTNBUWRPDUAVGA-UHFFFAOYSA-N 2 2 356.539 4.154 20 0 FIADLP CC[N@H+](Cc1cnc(C2CC2)s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564735 1125440765 /nfs/dbraw/zinc/44/07/65/1125440765.db2.gz HTNBUWRPDUAVGA-UHFFFAOYSA-N 2 2 356.539 4.154 20 0 FIADLP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602565035 567995510 /nfs/dbraw/zinc/99/55/10/567995510.db2.gz OJAQVGHIWCHJAY-ZPKOFLGFSA-N 2 2 374.594 4.024 20 0 FIADLP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602565035 567995511 /nfs/dbraw/zinc/99/55/11/567995511.db2.gz OJAQVGHIWCHJAY-ZPKOFLGFSA-N 2 2 374.594 4.024 20 0 FIADLP Cc1cc2c(cc1C)[C@H]([NH2+]C1CC[NH+](Cc3ccncc3)CC1)CCS2 ZINC000187027408 568050168 /nfs/dbraw/zinc/05/01/68/568050168.db2.gz VVNJESGRCDQTMZ-OAQYLSRUSA-N 2 2 367.562 4.490 20 0 FIADLP CC(C)n1cc([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000563119878 568224643 /nfs/dbraw/zinc/22/46/43/568224643.db2.gz LGSZXLZLMPKUCJ-NQIIRXRSSA-N 2 2 352.526 4.312 20 0 FIADLP CC(C)n1cc([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000563119878 568224644 /nfs/dbraw/zinc/22/46/44/568224644.db2.gz LGSZXLZLMPKUCJ-NQIIRXRSSA-N 2 2 352.526 4.312 20 0 FIADLP Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000604219460 568230319 /nfs/dbraw/zinc/23/03/19/568230319.db2.gz ICVDYIMJNVATAC-MSOLQXFVSA-N 2 2 367.493 4.175 20 0 FIADLP Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000604313262 568248806 /nfs/dbraw/zinc/24/88/06/568248806.db2.gz PFERWKNNQBZNCQ-SJLPKXTDSA-N 2 2 367.493 4.033 20 0 FIADLP Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000604313262 568248807 /nfs/dbraw/zinc/24/88/07/568248807.db2.gz PFERWKNNQBZNCQ-SJLPKXTDSA-N 2 2 367.493 4.033 20 0 FIADLP Brc1ccc(/C=C/CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000604997992 568508180 /nfs/dbraw/zinc/50/81/80/568508180.db2.gz YHIRNWFGVJDGDB-HVTRQVLWSA-N 2 2 360.299 4.386 20 0 FIADLP Brc1ccc(/C=C/CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000604997992 568508182 /nfs/dbraw/zinc/50/81/82/568508182.db2.gz YHIRNWFGVJDGDB-HVTRQVLWSA-N 2 2 360.299 4.386 20 0 FIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2nccs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165560 568593949 /nfs/dbraw/zinc/59/39/49/568593949.db2.gz JQMACEKREQUKEU-RHSMWYFYSA-N 2 2 369.456 4.335 20 0 FIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2nccs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165560 568593950 /nfs/dbraw/zinc/59/39/50/568593950.db2.gz JQMACEKREQUKEU-RHSMWYFYSA-N 2 2 369.456 4.335 20 0 FIADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]ccc4ccccc43)C[C@@H]21 ZINC001165027651 721803198 /nfs/dbraw/zinc/80/31/98/721803198.db2.gz WWQQMKRULDMENN-WTIAFYNJSA-N 2 2 372.516 4.367 20 0 FIADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]ccc4ccccc43)C[C@@H]21 ZINC001165027651 721803199 /nfs/dbraw/zinc/80/31/99/721803199.db2.gz WWQQMKRULDMENN-WTIAFYNJSA-N 2 2 372.516 4.367 20 0 FIADLP Cc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc(C(C)C)[nH+]1 ZINC001164995104 722193318 /nfs/dbraw/zinc/19/33/18/722193318.db2.gz RROXGCULJULDHO-JOCHJYFZSA-N 2 2 368.500 4.292 20 0 FIADLP Cc1nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc(C(C)C)[nH+]1 ZINC001164995104 722193320 /nfs/dbraw/zinc/19/33/20/722193320.db2.gz RROXGCULJULDHO-JOCHJYFZSA-N 2 2 368.500 4.292 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[N@@H+]1C ZINC000093644387 1125472351 /nfs/dbraw/zinc/47/23/51/1125472351.db2.gz NADUZHVSDQRRHT-YLJYHZDGSA-N 2 2 354.542 4.084 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[N@H+]1C ZINC000093644387 1125472358 /nfs/dbraw/zinc/47/23/58/1125472358.db2.gz NADUZHVSDQRRHT-YLJYHZDGSA-N 2 2 354.542 4.084 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[NH+]1C ZINC000093644387 1125472363 /nfs/dbraw/zinc/47/23/63/1125472363.db2.gz NADUZHVSDQRRHT-YLJYHZDGSA-N 2 2 354.542 4.084 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[NH+]1C ZINC000093644387 1125472369 /nfs/dbraw/zinc/47/23/69/1125472369.db2.gz NADUZHVSDQRRHT-YLJYHZDGSA-N 2 2 354.542 4.084 20 0 FIADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCc1cccs1 ZINC000093644662 1125472540 /nfs/dbraw/zinc/47/25/40/1125472540.db2.gz QPQBZCHXQIJQID-FUHWJXTLSA-N 2 2 374.550 4.250 20 0 FIADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCc1cccs1 ZINC000093644662 1125472543 /nfs/dbraw/zinc/47/25/43/1125472543.db2.gz QPQBZCHXQIJQID-FUHWJXTLSA-N 2 2 374.550 4.250 20 0 FIADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1cccs1 ZINC000093644662 1125472548 /nfs/dbraw/zinc/47/25/48/1125472548.db2.gz QPQBZCHXQIJQID-FUHWJXTLSA-N 2 2 374.550 4.250 20 0 FIADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1cccs1 ZINC000093644662 1125472555 /nfs/dbraw/zinc/47/25/55/1125472555.db2.gz QPQBZCHXQIJQID-FUHWJXTLSA-N 2 2 374.550 4.250 20 0 FIADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000093769916 1125519823 /nfs/dbraw/zinc/51/98/23/1125519823.db2.gz DCCPOLYEBWWNNM-OAQYLSRUSA-N 2 2 368.521 4.048 20 0 FIADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000093769916 1125519826 /nfs/dbraw/zinc/51/98/26/1125519826.db2.gz DCCPOLYEBWWNNM-OAQYLSRUSA-N 2 2 368.521 4.048 20 0 FIADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000093769916 1125519832 /nfs/dbraw/zinc/51/98/32/1125519832.db2.gz DCCPOLYEBWWNNM-OAQYLSRUSA-N 2 2 368.521 4.048 20 0 FIADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000093769916 1125519837 /nfs/dbraw/zinc/51/98/37/1125519837.db2.gz DCCPOLYEBWWNNM-OAQYLSRUSA-N 2 2 368.521 4.048 20 0 FIADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Br)cc1 ZINC000152827829 1125662231 /nfs/dbraw/zinc/66/22/31/1125662231.db2.gz GUKREIRRWVXMLP-QGZVFWFLSA-N 2 2 362.315 4.265 20 0 FIADLP CC1CCC([N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C2CC2)CC1 ZINC001167071432 1080001209 /nfs/dbraw/zinc/00/12/09/1080001209.db2.gz LUSOOLINJUPAHO-IRSIHTCSSA-N 2 2 356.554 4.321 20 0 FIADLP CC1CCC([N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C2CC2)CC1 ZINC001167071432 1080001221 /nfs/dbraw/zinc/00/12/21/1080001221.db2.gz LUSOOLINJUPAHO-IRSIHTCSSA-N 2 2 356.554 4.321 20 0 FIADLP CC1CCC([NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CC2)CC1 ZINC001167071432 1080001233 /nfs/dbraw/zinc/00/12/33/1080001233.db2.gz LUSOOLINJUPAHO-IRSIHTCSSA-N 2 2 356.554 4.321 20 0 FIADLP CC1CCC([NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)CC1 ZINC001167071432 1080001244 /nfs/dbraw/zinc/00/12/44/1080001244.db2.gz LUSOOLINJUPAHO-IRSIHTCSSA-N 2 2 356.554 4.321 20 0 FIADLP FC(F)(F)c1ccccc1OCCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471178752 1080130096 /nfs/dbraw/zinc/13/00/96/1080130096.db2.gz XOEZJEBQORCPBZ-OAHLLOKOSA-N 2 2 367.415 4.467 20 0 FIADLP FC(F)(F)c1ccccc1OCCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471178752 1080130100 /nfs/dbraw/zinc/13/01/00/1080130100.db2.gz XOEZJEBQORCPBZ-OAHLLOKOSA-N 2 2 367.415 4.467 20 0 FIADLP O[C@H](C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000246948985 1080640588 /nfs/dbraw/zinc/64/05/88/1080640588.db2.gz UMYDSZDZBNOFQH-FGZHOGPDSA-N 2 2 365.452 4.100 20 0 FIADLP O[C@H](C[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000246948985 1080640595 /nfs/dbraw/zinc/64/05/95/1080640595.db2.gz UMYDSZDZBNOFQH-FGZHOGPDSA-N 2 2 365.452 4.100 20 0 FIADLP CC(C)c1ccc(N2CC(c3[nH+]cn4cc(Br)ccc34)C2)[nH+]c1 ZINC001167168804 1080780612 /nfs/dbraw/zinc/78/06/12/1080780612.db2.gz ADNRGXBVLIPMFA-UHFFFAOYSA-N 2 2 371.282 4.219 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccnc1Cl ZINC000247224872 1081076272 /nfs/dbraw/zinc/07/62/72/1081076272.db2.gz XXCZDGKUCXXPGI-IXDOHACOSA-N 2 2 373.928 4.195 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccnc1Cl ZINC000247224872 1081076283 /nfs/dbraw/zinc/07/62/83/1081076283.db2.gz XXCZDGKUCXXPGI-IXDOHACOSA-N 2 2 373.928 4.195 20 0 FIADLP c1ccc(CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000655701308 1081122552 /nfs/dbraw/zinc/12/25/52/1081122552.db2.gz RLXCQQOJTWOZDO-RPWUZVMVSA-N 2 2 364.533 4.203 20 0 FIADLP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655715845 1081136123 /nfs/dbraw/zinc/13/61/23/1081136123.db2.gz ORNQNZNWXSKFCJ-PMACEKPBSA-N 2 2 350.934 4.270 20 0 FIADLP Clc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCCC2)cc1 ZINC000655717077 1081137393 /nfs/dbraw/zinc/13/73/93/1081137393.db2.gz UJOGRFZIONFWGY-NHCUHLMSSA-N 2 2 362.945 4.414 20 0 FIADLP CC(C)(C)[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000655722557 1081140515 /nfs/dbraw/zinc/14/05/15/1081140515.db2.gz FBUBEZAUQPLTAB-PXNSSMCTSA-N 2 2 366.496 4.285 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1Cl ZINC000655761017 1081179617 /nfs/dbraw/zinc/17/96/17/1081179617.db2.gz DJYRODJVKXMNAB-CZUORRHYSA-N 2 2 357.325 4.287 20 0 FIADLP Clc1ccc([C@@H]2CCC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000655773946 1081184324 /nfs/dbraw/zinc/18/43/24/1081184324.db2.gz LUTNWNUGZYISQJ-QMMLZNLJSA-N 2 2 362.945 4.209 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848612 1081257133 /nfs/dbraw/zinc/25/71/33/1081257133.db2.gz JEFWVMMYWFOEMV-UIFIKXQLSA-N 2 2 357.542 4.134 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848612 1081257137 /nfs/dbraw/zinc/25/71/37/1081257137.db2.gz JEFWVMMYWFOEMV-UIFIKXQLSA-N 2 2 357.542 4.134 20 0 FIADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000525460360 1081276051 /nfs/dbraw/zinc/27/60/51/1081276051.db2.gz XBAGPDRRXYHSLO-UHFFFAOYSA-N 2 2 369.509 4.031 20 0 FIADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000525460360 1081276055 /nfs/dbraw/zinc/27/60/55/1081276055.db2.gz XBAGPDRRXYHSLO-UHFFFAOYSA-N 2 2 369.509 4.031 20 0 FIADLP C[C@H](CCNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1 ZINC000683707033 1081415662 /nfs/dbraw/zinc/41/56/62/1081415662.db2.gz GQYABMZNOJZTDU-GOSISDBHSA-N 2 2 352.526 4.218 20 0 FIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000122894687 1081415940 /nfs/dbraw/zinc/41/59/40/1081415940.db2.gz DZNWMBWOEVOCFW-OAHLLOKOSA-N 2 2 358.536 4.468 20 0 FIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000122894687 1081415942 /nfs/dbraw/zinc/41/59/42/1081415942.db2.gz DZNWMBWOEVOCFW-OAHLLOKOSA-N 2 2 358.536 4.468 20 0 FIADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000580131326 1081625553 /nfs/dbraw/zinc/62/55/53/1081625553.db2.gz KSMCZNYVNMGFIR-UHFFFAOYSA-N 2 2 356.341 4.023 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000379658338 1081849993 /nfs/dbraw/zinc/84/99/93/1081849993.db2.gz WCCGAERKRPIPDF-APWZRJJASA-N 2 2 368.912 4.130 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000379658338 1081849999 /nfs/dbraw/zinc/84/99/99/1081849999.db2.gz WCCGAERKRPIPDF-APWZRJJASA-N 2 2 368.912 4.130 20 0 FIADLP c1c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)noc1-c1ccccc1 ZINC000580641316 1082062988 /nfs/dbraw/zinc/06/29/88/1082062988.db2.gz NMUWPACUBAXMTL-VXKWHMMOSA-N 2 2 373.500 4.296 20 0 FIADLP c1c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)noc1-c1ccccc1 ZINC000580641316 1082062997 /nfs/dbraw/zinc/06/29/97/1082062997.db2.gz NMUWPACUBAXMTL-VXKWHMMOSA-N 2 2 373.500 4.296 20 0 FIADLP c1c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)noc1-c1ccccc1 ZINC000580641316 1082063007 /nfs/dbraw/zinc/06/30/07/1082063007.db2.gz NMUWPACUBAXMTL-VXKWHMMOSA-N 2 2 373.500 4.296 20 0 FIADLP c1c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)noc1-c1ccccc1 ZINC000580641316 1082063014 /nfs/dbraw/zinc/06/30/14/1082063014.db2.gz NMUWPACUBAXMTL-VXKWHMMOSA-N 2 2 373.500 4.296 20 0 FIADLP COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000177807109 1082124385 /nfs/dbraw/zinc/12/43/85/1082124385.db2.gz SKYOZIXLPRGWAI-AWEZNQCLSA-N 2 2 371.868 4.394 20 0 FIADLP C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000471620968 1082163219 /nfs/dbraw/zinc/16/32/19/1082163219.db2.gz UTFXFLJBJZAXPE-INIZCTEOSA-N 2 2 362.452 4.396 20 0 FIADLP CCCCn1c(SCC[C@H]2CCCC[N@@H+]2C)nnc1[C@H](CC)[NH+](C)C ZINC000255928299 1082259885 /nfs/dbraw/zinc/25/98/85/1082259885.db2.gz OBIRHGHFDLPSTB-SJORKVTESA-N 2 2 367.607 4.057 20 0 FIADLP CCCCn1c(SCC[C@H]2CCCC[N@H+]2C)nnc1[C@H](CC)[NH+](C)C ZINC000255928299 1082259890 /nfs/dbraw/zinc/25/98/90/1082259890.db2.gz OBIRHGHFDLPSTB-SJORKVTESA-N 2 2 367.607 4.057 20 0 FIADLP FC(F)(F)[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000580983219 1082268995 /nfs/dbraw/zinc/26/89/95/1082268995.db2.gz WMKOEKTWEIWSPD-OAHLLOKOSA-N 2 2 365.424 4.445 20 0 FIADLP Cc1cc2c(s1)N(c1ccc3[nH]c(N)[nH+]c3c1)c1ccccc1NC2=[NH2+] ZINC001167469889 1082660238 /nfs/dbraw/zinc/66/02/38/1082660238.db2.gz ZWFMDYOGNIPQJW-UHFFFAOYSA-N 2 2 360.446 4.335 20 0 FIADLP Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000510448717 1082797816 /nfs/dbraw/zinc/79/78/16/1082797816.db2.gz XPYAGMZFZVULTB-OAQYLSRUSA-N 2 2 357.461 4.096 20 0 FIADLP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000510448717 1082797818 /nfs/dbraw/zinc/79/78/18/1082797818.db2.gz XPYAGMZFZVULTB-OAQYLSRUSA-N 2 2 357.461 4.096 20 0 FIADLP C[C@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581706409 1082828152 /nfs/dbraw/zinc/82/81/52/1082828152.db2.gz KQJJDSDPPSFZPQ-RXVVDRJESA-N 2 2 360.505 4.077 20 0 FIADLP C[C@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581706409 1082828158 /nfs/dbraw/zinc/82/81/58/1082828158.db2.gz KQJJDSDPPSFZPQ-RXVVDRJESA-N 2 2 360.505 4.077 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3nccc4ccccc43)C2)CC1 ZINC000684412670 1082860991 /nfs/dbraw/zinc/86/09/91/1082860991.db2.gz RGQUSZUBZCOGPR-UHFFFAOYSA-N 2 2 363.427 4.130 20 0 FIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](CC(C)C)c2ccccc2C)CC1 ZINC000581960699 1083102442 /nfs/dbraw/zinc/10/24/42/1083102442.db2.gz LFHCRZODEPZRNU-OAQYLSRUSA-N 2 2 360.542 4.089 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000510651064 1083223383 /nfs/dbraw/zinc/22/33/83/1083223383.db2.gz LOBXOERQASEGOS-LJQANCHMSA-N 2 2 368.278 4.412 20 0 FIADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000510737034 1083288199 /nfs/dbraw/zinc/28/81/99/1083288199.db2.gz RRYSRPRJZPIJCV-RHSMWYFYSA-N 2 2 360.489 4.053 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)c2Cl)[C@H](C)C1 ZINC001167684165 1083384857 /nfs/dbraw/zinc/38/48/57/1083384857.db2.gz CTUSFGBKGDSNHT-DOMZBBRYSA-N 2 2 359.739 4.265 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)c2Cl)[C@H](C)C1 ZINC001167684165 1083384871 /nfs/dbraw/zinc/38/48/71/1083384871.db2.gz CTUSFGBKGDSNHT-DOMZBBRYSA-N 2 2 359.739 4.265 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Br)c2Cl)[C@H](C)C1 ZINC001167684165 1083384880 /nfs/dbraw/zinc/38/48/80/1083384880.db2.gz CTUSFGBKGDSNHT-DOMZBBRYSA-N 2 2 359.739 4.265 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Br)c2Cl)[C@H](C)C1 ZINC001167684165 1083384888 /nfs/dbraw/zinc/38/48/88/1083384888.db2.gz CTUSFGBKGDSNHT-DOMZBBRYSA-N 2 2 359.739 4.265 20 0 FIADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1Cl ZINC000569534683 1083394088 /nfs/dbraw/zinc/39/40/88/1083394088.db2.gz OGYGDLDMBVEMFF-SMDDNHRTSA-N 2 2 368.706 4.424 20 0 FIADLP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295707 1083397916 /nfs/dbraw/zinc/39/79/16/1083397916.db2.gz VCLCZZUSDPLFCV-VQIMIIECSA-N 2 2 356.535 4.122 20 0 FIADLP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCCS2 ZINC000658296284 1083398525 /nfs/dbraw/zinc/39/85/25/1083398525.db2.gz YJEUVHWOXRZRLJ-AEFFLSMTSA-N 2 2 366.958 4.110 20 0 FIADLP c1ccc(C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCCCC2)cc1 ZINC000658296427 1083398849 /nfs/dbraw/zinc/39/88/49/1083398849.db2.gz ZUMIVKYHGRGTAL-DHIUTWEWSA-N 2 2 356.554 4.021 20 0 FIADLP Cc1cc(C)c(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1C ZINC000092645125 1083461045 /nfs/dbraw/zinc/46/10/45/1083461045.db2.gz XSGGKLZCZPLXGX-UHFFFAOYSA-N 2 2 351.538 4.146 20 0 FIADLP Cc1cc(C)c(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1C ZINC000092645125 1083461051 /nfs/dbraw/zinc/46/10/51/1083461051.db2.gz XSGGKLZCZPLXGX-UHFFFAOYSA-N 2 2 351.538 4.146 20 0 FIADLP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000892467326 1083532171 /nfs/dbraw/zinc/53/21/71/1083532171.db2.gz XZJSIFSSDWHJGS-UHFFFAOYSA-N 2 2 357.445 4.294 20 0 FIADLP Cc1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc(OC(F)(F)F)c1 ZINC001143462173 1083597198 /nfs/dbraw/zinc/59/71/98/1083597198.db2.gz BOEPFNLNMSBCMJ-UHFFFAOYSA-N 2 2 356.432 4.344 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCC([N@H+](C)Cc3ccccc3)CC1)CCC2 ZINC000375842751 1083676385 /nfs/dbraw/zinc/67/63/85/1083676385.db2.gz WQRBQUGVPHZGEW-HWELCPFYSA-N 3 2 366.553 4.102 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCC([N@@H+](C)Cc3ccccc3)CC1)CCC2 ZINC000375842751 1083676409 /nfs/dbraw/zinc/67/64/09/1083676409.db2.gz WQRBQUGVPHZGEW-HWELCPFYSA-N 3 2 366.553 4.102 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000535809988 1083681082 /nfs/dbraw/zinc/68/10/82/1083681082.db2.gz SZCAJKHIKMOART-OXQOHEQNSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000535809988 1083681086 /nfs/dbraw/zinc/68/10/86/1083681086.db2.gz SZCAJKHIKMOART-OXQOHEQNSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000535809988 1083681089 /nfs/dbraw/zinc/68/10/89/1083681089.db2.gz SZCAJKHIKMOART-OXQOHEQNSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000535809988 1083681096 /nfs/dbraw/zinc/68/10/96/1083681096.db2.gz SZCAJKHIKMOART-OXQOHEQNSA-N 2 2 370.928 4.179 20 0 FIADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000535838253 1083795432 /nfs/dbraw/zinc/79/54/32/1083795432.db2.gz KVMZVWRNFGZRMZ-QPTUXGOLSA-N 2 2 364.533 4.409 20 0 FIADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000535838253 1083795446 /nfs/dbraw/zinc/79/54/46/1083795446.db2.gz KVMZVWRNFGZRMZ-QPTUXGOLSA-N 2 2 364.533 4.409 20 0 FIADLP C[NH+](C)CCC[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000521114526 1083859595 /nfs/dbraw/zinc/85/95/95/1083859595.db2.gz FLFQICHZBCZDOV-UHFFFAOYSA-N 2 2 368.550 4.043 20 0 FIADLP C[NH+](C)CCC[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000521114526 1083859608 /nfs/dbraw/zinc/85/96/08/1083859608.db2.gz FLFQICHZBCZDOV-UHFFFAOYSA-N 2 2 368.550 4.043 20 0 FIADLP COc1ccccc1[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)OC(C)C ZINC000472044030 1084161922 /nfs/dbraw/zinc/16/19/22/1084161922.db2.gz LJCIHRHATKUJNN-HXUWFJFHSA-N 2 2 371.506 4.198 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892120212 1084351029 /nfs/dbraw/zinc/35/10/29/1084351029.db2.gz LTHHULFHUMVHHO-OAHLLOKOSA-N 2 2 367.559 4.259 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892120212 1084351036 /nfs/dbraw/zinc/35/10/36/1084351036.db2.gz LTHHULFHUMVHHO-OAHLLOKOSA-N 2 2 367.559 4.259 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cc2n(n1)CCC2 ZINC000414081388 1084478024 /nfs/dbraw/zinc/47/80/24/1084478024.db2.gz VFDDDQKEVZMLHQ-ROUUACIJSA-N 2 2 352.526 4.055 20 0 FIADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cc2n(n1)CCC2 ZINC000414081388 1084478034 /nfs/dbraw/zinc/47/80/34/1084478034.db2.gz VFDDDQKEVZMLHQ-ROUUACIJSA-N 2 2 352.526 4.055 20 0 FIADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000431340501 1084524456 /nfs/dbraw/zinc/52/44/56/1084524456.db2.gz WRHSPWQDVGKRRK-NRFANRHFSA-N 2 2 372.553 4.258 20 0 FIADLP C[N@H+](Cc1ccccc1C[NH2+]Cc1cn(C2CCC2)nn1)C1CCCCC1 ZINC000657323611 1084566245 /nfs/dbraw/zinc/56/62/45/1084566245.db2.gz DZQSPNVIHLOBCC-UHFFFAOYSA-N 2 2 367.541 4.057 20 0 FIADLP C[N@@H+](Cc1ccccc1C[NH2+]Cc1cn(C2CCC2)nn1)C1CCCCC1 ZINC000657323611 1084566255 /nfs/dbraw/zinc/56/62/55/1084566255.db2.gz DZQSPNVIHLOBCC-UHFFFAOYSA-N 2 2 367.541 4.057 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c(C)c1 ZINC000414111813 1084587992 /nfs/dbraw/zinc/58/79/92/1084587992.db2.gz XKRPDIGNAJAJDQ-QZTJIDSGSA-N 2 2 353.510 4.275 20 0 FIADLP c1cn(-c2ccc(C[NH+]3CCC(OCCc4ccccc4)CC3)cc2)c[nH+]1 ZINC000170643991 1084811802 /nfs/dbraw/zinc/81/18/02/1084811802.db2.gz LLIWVIKNODJXQM-UHFFFAOYSA-N 2 2 361.489 4.096 20 0 FIADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1 ZINC000892569810 1084869824 /nfs/dbraw/zinc/86/98/24/1084869824.db2.gz CPNFUAQSBFDODP-HNNXBMFYSA-N 2 2 356.539 4.080 20 0 FIADLP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1 ZINC000892569810 1084869829 /nfs/dbraw/zinc/86/98/29/1084869829.db2.gz CPNFUAQSBFDODP-HNNXBMFYSA-N 2 2 356.539 4.080 20 0 FIADLP C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261775705 1084880927 /nfs/dbraw/zinc/88/09/27/1084880927.db2.gz XIWXPXOLAOSFJW-OUAUKWLOSA-N 2 2 354.338 4.454 20 0 FIADLP C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261775705 1084880939 /nfs/dbraw/zinc/88/09/39/1084880939.db2.gz XIWXPXOLAOSFJW-OUAUKWLOSA-N 2 2 354.338 4.454 20 0 FIADLP C[N@@H+]1C[C@@H](C[NH2+]Cc2csc(-c3ccsc3)n2)[C@H](c2ccccc2)C1 ZINC000647248997 1084905162 /nfs/dbraw/zinc/90/51/62/1084905162.db2.gz WIEJXJVRVPDHCT-MJGOQNOKSA-N 2 2 369.559 4.307 20 0 FIADLP C[N@H+]1C[C@@H](C[NH2+]Cc2csc(-c3ccsc3)n2)[C@H](c2ccccc2)C1 ZINC000647248997 1084905166 /nfs/dbraw/zinc/90/51/66/1084905166.db2.gz WIEJXJVRVPDHCT-MJGOQNOKSA-N 2 2 369.559 4.307 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OCC2CC2)C[C@@H]1C ZINC001167589979 1085248057 /nfs/dbraw/zinc/24/80/57/1085248057.db2.gz LVEISXIMZWIUQU-KXBFYZLASA-N 2 2 350.934 4.433 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OCC2CC2)C[C@@H]1C ZINC001167589979 1085248067 /nfs/dbraw/zinc/24/80/67/1085248067.db2.gz LVEISXIMZWIUQU-KXBFYZLASA-N 2 2 350.934 4.433 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2OCC2CC2)C[C@@H]1C ZINC001167589979 1085248077 /nfs/dbraw/zinc/24/80/77/1085248077.db2.gz LVEISXIMZWIUQU-KXBFYZLASA-N 2 2 350.934 4.433 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OCC2CC2)C[C@@H]1C ZINC001167589979 1085248086 /nfs/dbraw/zinc/24/80/86/1085248086.db2.gz LVEISXIMZWIUQU-KXBFYZLASA-N 2 2 350.934 4.433 20 0 FIADLP Fc1ccc2c(c1Cl)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000651669489 1085318125 /nfs/dbraw/zinc/31/81/25/1085318125.db2.gz XGZUKGLPZARORN-LJQANCHMSA-N 2 2 374.887 4.088 20 0 FIADLP FC(F)(F)Oc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000075758139 1085545935 /nfs/dbraw/zinc/54/59/35/1085545935.db2.gz VORVNUNDIPTQPH-UHFFFAOYSA-N 2 2 361.367 4.120 20 0 FIADLP Cc1cc(N2CCC(n3cc[nH+]c3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000077214335 1085606525 /nfs/dbraw/zinc/60/65/25/1085606525.db2.gz WUXOCQNKOYLVCB-UHFFFAOYSA-N 2 2 358.392 4.183 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(OC)c1 ZINC000657613773 1085699415 /nfs/dbraw/zinc/69/94/15/1085699415.db2.gz YTYVYSKZVFRWLR-ZEYPLWLESA-N 2 2 368.521 4.025 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(OC)c1 ZINC000657613773 1085699422 /nfs/dbraw/zinc/69/94/22/1085699422.db2.gz YTYVYSKZVFRWLR-ZEYPLWLESA-N 2 2 368.521 4.025 20 0 FIADLP Cc1cc(Cl)cc(Cl)c1CNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001167795496 1086386959 /nfs/dbraw/zinc/38/69/59/1086386959.db2.gz IKNGHMWASLJNCV-MRXNPFEDSA-N 2 2 364.320 4.447 20 0 FIADLP Cc1cc(Cl)cc(Cl)c1CNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001167795496 1086386972 /nfs/dbraw/zinc/38/69/72/1086386972.db2.gz IKNGHMWASLJNCV-MRXNPFEDSA-N 2 2 364.320 4.447 20 0 FIADLP c1[nH+]c(C2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)n2c1CCCC2 ZINC000278910424 1086590478 /nfs/dbraw/zinc/59/04/78/1086590478.db2.gz QMAOMARLXQZGPD-UHFFFAOYSA-N 2 2 362.477 4.254 20 0 FIADLP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583440208 1086688154 /nfs/dbraw/zinc/68/81/54/1086688154.db2.gz RMIFSMIJGCWURF-JOCHJYFZSA-N 2 2 372.516 4.159 20 0 FIADLP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583440208 1086688165 /nfs/dbraw/zinc/68/81/65/1086688165.db2.gz RMIFSMIJGCWURF-JOCHJYFZSA-N 2 2 372.516 4.159 20 0 FIADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001167840655 1086727425 /nfs/dbraw/zinc/72/74/25/1086727425.db2.gz GYTQBNLDHQJVHX-IBGZPJMESA-N 3 2 363.565 4.232 20 0 FIADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001167840655 1086727427 /nfs/dbraw/zinc/72/74/27/1086727427.db2.gz GYTQBNLDHQJVHX-IBGZPJMESA-N 3 2 363.565 4.232 20 0 FIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000432414141 1086740000 /nfs/dbraw/zinc/74/00/00/1086740000.db2.gz QLFYOLDSKJEBIO-HUUCEWRRSA-N 2 2 350.890 4.238 20 0 FIADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000432414141 1086740006 /nfs/dbraw/zinc/74/00/06/1086740006.db2.gz QLFYOLDSKJEBIO-HUUCEWRRSA-N 2 2 350.890 4.238 20 0 FIADLP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CCCO1 ZINC000432422487 1086747438 /nfs/dbraw/zinc/74/74/38/1086747438.db2.gz UFNRRIPGBHXAQI-SUMWQHHRSA-N 2 2 357.325 4.071 20 0 FIADLP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CCCO1 ZINC000432422487 1086747444 /nfs/dbraw/zinc/74/74/44/1086747444.db2.gz UFNRRIPGBHXAQI-SUMWQHHRSA-N 2 2 357.325 4.071 20 0 FIADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000427847351 1086965938 /nfs/dbraw/zinc/96/59/38/1086965938.db2.gz KBGZJWOKLQAJDQ-HNAYVOBHSA-N 2 2 374.960 4.359 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(OC(F)F)c1 ZINC000151328915 1087088869 /nfs/dbraw/zinc/08/88/69/1087088869.db2.gz CQHFCGCBMQTTII-OAHLLOKOSA-N 2 2 357.404 4.384 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151661283 1087197051 /nfs/dbraw/zinc/19/70/51/1087197051.db2.gz MMKSWGMPYICNTE-GOSISDBHSA-N 3 2 352.526 4.320 20 0 FIADLP CC[N@@H+](Cc1nc2cc(F)ccc2o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000151889765 1087366680 /nfs/dbraw/zinc/36/66/80/1087366680.db2.gz QYAPSZOETPWGFV-UHFFFAOYSA-N 2 2 368.456 4.100 20 0 FIADLP CC[N@H+](Cc1nc2cc(F)ccc2o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000151889765 1087366681 /nfs/dbraw/zinc/36/66/81/1087366681.db2.gz QYAPSZOETPWGFV-UHFFFAOYSA-N 2 2 368.456 4.100 20 0 FIADLP c1sc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1-c1ccccc1 ZINC000092066579 1087437503 /nfs/dbraw/zinc/43/75/03/1087437503.db2.gz RWZHNCHKTBMCCB-XLIONFOSSA-N 2 2 353.535 4.259 20 0 FIADLP c1sc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1-c1ccccc1 ZINC000092066579 1087437504 /nfs/dbraw/zinc/43/75/04/1087437504.db2.gz RWZHNCHKTBMCCB-XLIONFOSSA-N 2 2 353.535 4.259 20 0 FIADLP c1sc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1-c1ccccc1 ZINC000092066579 1087437505 /nfs/dbraw/zinc/43/75/05/1087437505.db2.gz RWZHNCHKTBMCCB-XLIONFOSSA-N 2 2 353.535 4.259 20 0 FIADLP c1sc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1-c1ccccc1 ZINC000092066579 1087437508 /nfs/dbraw/zinc/43/75/08/1087437508.db2.gz RWZHNCHKTBMCCB-XLIONFOSSA-N 2 2 353.535 4.259 20 0 FIADLP COC[C@H](CC1CCOCC1)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000657886015 1087535151 /nfs/dbraw/zinc/53/51/51/1087535151.db2.gz CFTOOSFGWPKVKB-KNQAVFIVSA-N 2 2 374.569 4.071 20 0 FIADLP Fc1cccc(C[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cccc(F)c2)c1 ZINC000685662199 1087667569 /nfs/dbraw/zinc/66/75/69/1087667569.db2.gz YURMJIUUJPPSSG-ICSRJNTNSA-N 2 2 353.416 4.119 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000093318406 1087688065 /nfs/dbraw/zinc/68/80/65/1087688065.db2.gz UCEBUKCDPORQEE-XLIONFOSSA-N 2 2 354.542 4.192 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000093318406 1087688068 /nfs/dbraw/zinc/68/80/68/1087688068.db2.gz UCEBUKCDPORQEE-XLIONFOSSA-N 2 2 354.542 4.192 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000093318406 1087688070 /nfs/dbraw/zinc/68/80/70/1087688070.db2.gz UCEBUKCDPORQEE-XLIONFOSSA-N 2 2 354.542 4.192 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2c[nH]nc2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000093318406 1087688071 /nfs/dbraw/zinc/68/80/71/1087688071.db2.gz UCEBUKCDPORQEE-XLIONFOSSA-N 2 2 354.542 4.192 20 0 FIADLP CC(C)[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(F)cc(Br)c1 ZINC000657979241 1087689260 /nfs/dbraw/zinc/68/92/60/1087689260.db2.gz HQXXDUHEOHQCFF-WBVHZDCISA-N 2 2 366.278 4.086 20 0 FIADLP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000658018837 1087699612 /nfs/dbraw/zinc/69/96/12/1087699612.db2.gz GNJAAPSUIYUIQC-CMPLNLGQSA-N 2 2 357.807 4.160 20 0 FIADLP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000892620990 1087883918 /nfs/dbraw/zinc/88/39/18/1087883918.db2.gz AQFPXWYYATWSEV-UHFFFAOYSA-N 2 2 365.543 4.059 20 0 FIADLP c1csc([C@@H](Cc2ccncc2)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000424274628 1087907356 /nfs/dbraw/zinc/90/73/56/1087907356.db2.gz WGEQCFZAAGWZMA-GOSISDBHSA-N 2 2 352.507 4.304 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](Cc1ccncc1)c1cccs1)CCC2 ZINC000424311555 1087933171 /nfs/dbraw/zinc/93/31/71/1087933171.db2.gz LBGMJDVATZNXAU-MSOLQXFVSA-N 2 2 352.507 4.099 20 0 FIADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414822690 1088293596 /nfs/dbraw/zinc/29/35/96/1088293596.db2.gz FHUAFLPXHPMLFN-PXNSSMCTSA-N 2 2 353.510 4.125 20 0 FIADLP Clc1cc(Cl)c2c(c1)C=C(C[NH2+]CCCCn1cc[nH+]c1)CO2 ZINC000588178099 1088397650 /nfs/dbraw/zinc/39/76/50/1088397650.db2.gz MIWYHPSWXNYUCH-UHFFFAOYSA-N 2 2 352.265 4.036 20 0 FIADLP C[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)Cc1cccs1 ZINC000167499374 1088672374 /nfs/dbraw/zinc/67/23/74/1088672374.db2.gz NLFSSTQOUMUWJV-KRWDZBQOSA-N 2 2 357.567 4.251 20 0 FIADLP Brc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000589835583 1088766460 /nfs/dbraw/zinc/76/64/60/1088766460.db2.gz YABUYKVBPAOCEJ-UHFFFAOYSA-N 2 2 365.340 4.049 20 0 FIADLP Brc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)s1 ZINC000589835583 1088766474 /nfs/dbraw/zinc/76/64/74/1088766474.db2.gz YABUYKVBPAOCEJ-UHFFFAOYSA-N 2 2 365.340 4.049 20 0 FIADLP c1cn([C@H]2CCc3ccccc3[C@H]2[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c[nH+]1 ZINC000580245185 1088914259 /nfs/dbraw/zinc/91/42/59/1088914259.db2.gz CVKJXCKEXDJYPY-VOUHSTLWSA-N 2 2 365.521 4.297 20 0 FIADLP c1nc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)oc1-c1ccccc1 ZINC000281931744 1089079452 /nfs/dbraw/zinc/07/94/52/1089079452.db2.gz DKSBTFLLUCRXJW-SFHVURJKSA-N 2 2 362.477 4.254 20 0 FIADLP c1nc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)oc1-c1ccccc1 ZINC000281931744 1089079469 /nfs/dbraw/zinc/07/94/69/1089079469.db2.gz DKSBTFLLUCRXJW-SFHVURJKSA-N 2 2 362.477 4.254 20 0 FIADLP Clc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000415060823 1089110673 /nfs/dbraw/zinc/11/06/73/1089110673.db2.gz YXGKIUHMSSGNHY-QAPCUYQASA-N 2 2 361.942 4.428 20 0 FIADLP Clc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000415060823 1089110681 /nfs/dbraw/zinc/11/06/81/1089110681.db2.gz YXGKIUHMSSGNHY-QAPCUYQASA-N 2 2 361.942 4.428 20 0 FIADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000435369708 1089575652 /nfs/dbraw/zinc/57/56/52/1089575652.db2.gz GGYDZCDSYZFTPJ-MNOVXSKESA-N 2 2 356.322 4.286 20 0 FIADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000435369708 1089575660 /nfs/dbraw/zinc/57/56/60/1089575660.db2.gz GGYDZCDSYZFTPJ-MNOVXSKESA-N 2 2 356.322 4.286 20 0 FIADLP CCSc1cccc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000435424542 1089641428 /nfs/dbraw/zinc/64/14/28/1089641428.db2.gz AGVRURKKMNCQQX-KRWDZBQOSA-N 2 2 361.580 4.175 20 0 FIADLP CCSc1cccc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000435424542 1089641436 /nfs/dbraw/zinc/64/14/36/1089641436.db2.gz AGVRURKKMNCQQX-KRWDZBQOSA-N 2 2 361.580 4.175 20 0 FIADLP Cc1ncsc1C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC000435436214 1089661038 /nfs/dbraw/zinc/66/10/38/1089661038.db2.gz FBNHCBBGXNPCIQ-OAHLLOKOSA-N 2 2 369.456 4.082 20 0 FIADLP Cc1ncsc1C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC000435436214 1089661047 /nfs/dbraw/zinc/66/10/47/1089661047.db2.gz FBNHCBBGXNPCIQ-OAHLLOKOSA-N 2 2 369.456 4.082 20 0 FIADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163832802 1090014214 /nfs/dbraw/zinc/01/42/14/1090014214.db2.gz AAVOSOONHKNCND-CQSZACIVSA-N 2 2 353.495 4.061 20 0 FIADLP COc1ccccc1-c1ccc([C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC000659955365 1090313932 /nfs/dbraw/zinc/31/39/32/1090313932.db2.gz RMJUPRCDDGLDPE-GHTZIAJQSA-N 2 2 370.537 4.056 20 0 FIADLP COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC000659955365 1090313936 /nfs/dbraw/zinc/31/39/36/1090313936.db2.gz RMJUPRCDDGLDPE-GHTZIAJQSA-N 2 2 370.537 4.056 20 0 FIADLP COc1ccccc1-c1ccc([C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000659955365 1090313941 /nfs/dbraw/zinc/31/39/41/1090313941.db2.gz RMJUPRCDDGLDPE-GHTZIAJQSA-N 2 2 370.537 4.056 20 0 FIADLP COc1ccccc1-c1ccc([C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000659955365 1090313949 /nfs/dbraw/zinc/31/39/49/1090313949.db2.gz RMJUPRCDDGLDPE-GHTZIAJQSA-N 2 2 370.537 4.056 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417309603 1090802267 /nfs/dbraw/zinc/80/22/67/1090802267.db2.gz JQJZOAZKAWWJCC-GIYDNNGJSA-N 2 2 355.551 4.450 20 0 FIADLP C[C@@H]([NH2+]C1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCOCC1)c1ccccc1 ZINC000417922613 1090994592 /nfs/dbraw/zinc/99/45/92/1090994592.db2.gz JGKXXYXZRAEWQX-OIBXWCBGSA-N 2 2 364.533 4.280 20 0 FIADLP C[N@H+](CCSC1CCCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000500099030 1091037085 /nfs/dbraw/zinc/03/70/85/1091037085.db2.gz RHXBNXQOQFXTTL-UHFFFAOYSA-N 2 2 361.599 4.086 20 0 FIADLP C[N@@H+](CCSC1CCCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000500099030 1091037092 /nfs/dbraw/zinc/03/70/92/1091037092.db2.gz RHXBNXQOQFXTTL-UHFFFAOYSA-N 2 2 361.599 4.086 20 0 FIADLP C[C@H]([NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)c1ccncn1 ZINC000390557905 1091250059 /nfs/dbraw/zinc/25/00/59/1091250059.db2.gz JCABWRLFLAMJAC-FQEVSTJZSA-N 2 2 360.505 4.220 20 0 FIADLP C[C@@H]([NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)c1cnn(C)c1 ZINC000390577017 1091277324 /nfs/dbraw/zinc/27/73/24/1091277324.db2.gz FWMLBMLHYMBFPM-HXUWFJFHSA-N 2 2 362.521 4.163 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@@H+](CCc3nsc4ccccc43)C2)n2c1CCCC2 ZINC000660478391 1091599086 /nfs/dbraw/zinc/59/90/86/1091599086.db2.gz BGTRUXVEESNZLF-INIZCTEOSA-N 2 2 366.534 4.251 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@H+](CCc3nsc4ccccc43)C2)n2c1CCCC2 ZINC000660478391 1091599094 /nfs/dbraw/zinc/59/90/94/1091599094.db2.gz BGTRUXVEESNZLF-INIZCTEOSA-N 2 2 366.534 4.251 20 0 FIADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000549678935 1092691614 /nfs/dbraw/zinc/69/16/14/1092691614.db2.gz QTYAVYNRLUKJCV-IBGZPJMESA-N 2 2 352.526 4.426 20 0 FIADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000549678935 1092691620 /nfs/dbraw/zinc/69/16/20/1092691620.db2.gz QTYAVYNRLUKJCV-IBGZPJMESA-N 2 2 352.526 4.426 20 0 FIADLP CCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccsc1 ZINC000443101795 1092941971 /nfs/dbraw/zinc/94/19/71/1092941971.db2.gz FHKKOHLHSITSLL-PCCBWWKXSA-N 2 2 358.551 4.062 20 0 FIADLP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccsc1 ZINC000443101795 1092941976 /nfs/dbraw/zinc/94/19/76/1092941976.db2.gz FHKKOHLHSITSLL-PCCBWWKXSA-N 2 2 358.551 4.062 20 0 FIADLP CCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccsc1 ZINC000443101796 1092942115 /nfs/dbraw/zinc/94/21/15/1092942115.db2.gz FHKKOHLHSITSLL-QHAWAJNXSA-N 2 2 358.551 4.062 20 0 FIADLP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccsc1 ZINC000443101796 1092942118 /nfs/dbraw/zinc/94/21/18/1092942118.db2.gz FHKKOHLHSITSLL-QHAWAJNXSA-N 2 2 358.551 4.062 20 0 FIADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000521834160 1092946377 /nfs/dbraw/zinc/94/63/77/1092946377.db2.gz VJXVWSFDTMUMQX-ZDUSSCGKSA-N 2 2 351.288 4.139 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432926425 1092961503 /nfs/dbraw/zinc/96/15/03/1092961503.db2.gz XICZXXCQHHCHQE-LBPRGKRZSA-N 2 2 356.272 4.321 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432926425 1092961506 /nfs/dbraw/zinc/96/15/06/1092961506.db2.gz XICZXXCQHHCHQE-LBPRGKRZSA-N 2 2 356.272 4.321 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)C1 ZINC000236930257 1092982836 /nfs/dbraw/zinc/98/28/36/1092982836.db2.gz IYBGHGJZVDBSSS-IBGZPJMESA-N 2 2 374.960 4.023 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)C1 ZINC000236930257 1092982842 /nfs/dbraw/zinc/98/28/42/1092982842.db2.gz IYBGHGJZVDBSSS-IBGZPJMESA-N 2 2 374.960 4.023 20 0 FIADLP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000512650040 1093073704 /nfs/dbraw/zinc/07/37/04/1093073704.db2.gz WNUMDHWYDTWEEG-YSFPZDHXSA-N 2 2 365.521 4.103 20 0 FIADLP COc1cc(F)ccc1C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168017611 1093154751 /nfs/dbraw/zinc/15/47/51/1093154751.db2.gz BIMWQAHALBRKIX-IAGOWNOFSA-N 2 2 356.485 4.366 20 0 FIADLP COc1cc(F)ccc1C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168017613 1093155386 /nfs/dbraw/zinc/15/53/86/1093155386.db2.gz BIMWQAHALBRKIX-IRXDYDNUSA-N 2 2 356.485 4.366 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C[C@@H]1C ZINC000443623545 1093343602 /nfs/dbraw/zinc/34/36/02/1093343602.db2.gz PURMMEJMIAMNBI-JXFKEZNVSA-N 2 2 372.944 4.410 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C[C@@H]1C ZINC000443623545 1093343611 /nfs/dbraw/zinc/34/36/11/1093343611.db2.gz PURMMEJMIAMNBI-JXFKEZNVSA-N 2 2 372.944 4.410 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C[C@@H]1C ZINC000443623545 1093343619 /nfs/dbraw/zinc/34/36/19/1093343619.db2.gz PURMMEJMIAMNBI-JXFKEZNVSA-N 2 2 372.944 4.410 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C[C@@H]1C ZINC000443623545 1093343629 /nfs/dbraw/zinc/34/36/29/1093343629.db2.gz PURMMEJMIAMNBI-JXFKEZNVSA-N 2 2 372.944 4.410 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000191505162 1093422190 /nfs/dbraw/zinc/42/21/90/1093422190.db2.gz DEJCPANTDSKMRE-UHFFFAOYSA-N 2 2 368.481 4.021 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000191505162 1093422203 /nfs/dbraw/zinc/42/22/03/1093422203.db2.gz DEJCPANTDSKMRE-UHFFFAOYSA-N 2 2 368.481 4.021 20 0 FIADLP C[C@H]1CC([NH2+][C@@H](CO)c2cc(F)cc(F)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168025031 1093426151 /nfs/dbraw/zinc/42/61/51/1093426151.db2.gz AJSLOJGOVZBKKJ-WCJKSRRJSA-N 2 2 374.475 4.029 20 0 FIADLP COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000509854918 1093538073 /nfs/dbraw/zinc/53/80/73/1093538073.db2.gz QDSJZEACKMCHQR-CPNJWEJPSA-N 2 2 361.489 4.271 20 0 FIADLP C[C@H]1CC([NH2+]Cc2cncnc2C(C)(C)F)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168030468 1093580131 /nfs/dbraw/zinc/58/01/31/1093580131.db2.gz VWPYPZRPPYEAMO-IRXDYDNUSA-N 2 2 370.516 4.212 20 0 FIADLP COc1ccc(F)c(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168031700 1093649807 /nfs/dbraw/zinc/64/98/07/1093649807.db2.gz DQHWWAQEDJLTBP-XEMDLRDOSA-N 2 2 356.485 4.366 20 0 FIADLP COc1ccc(F)c(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168031700 1093649812 /nfs/dbraw/zinc/64/98/12/1093649812.db2.gz DQHWWAQEDJLTBP-XEMDLRDOSA-N 2 2 356.485 4.366 20 0 FIADLP C[C@H](C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000501008221 1094418696 /nfs/dbraw/zinc/41/86/96/1094418696.db2.gz OSHMGCCDEZSRGY-CVEARBPZSA-N 2 2 365.443 4.497 20 0 FIADLP C[C@H](C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000501008221 1094418701 /nfs/dbraw/zinc/41/87/01/1094418701.db2.gz OSHMGCCDEZSRGY-CVEARBPZSA-N 2 2 365.443 4.497 20 0 FIADLP CCOC(=O)C1(C)CCC([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000474794750 1094609601 /nfs/dbraw/zinc/60/96/01/1094609601.db2.gz KYVNNLDQCRYSBG-AFJQURTJSA-N 2 2 355.482 4.035 20 0 FIADLP COc1cccc2c1OC[C@@H]2[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168042306 1094680661 /nfs/dbraw/zinc/68/06/61/1094680661.db2.gz YTUCJMAPTCNAIB-LZJOCLMNSA-N 2 2 366.505 4.160 20 0 FIADLP Cc1ncsc1C[N@@H+](Cc1cccc(C(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC000420314226 1094877766 /nfs/dbraw/zinc/87/77/66/1094877766.db2.gz QJZYINQIEIIUPD-HNNXBMFYSA-N 2 2 351.466 4.001 20 0 FIADLP Cc1ncsc1C[N@H+](Cc1cccc(C(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC000420314226 1094877780 /nfs/dbraw/zinc/87/77/80/1094877780.db2.gz QJZYINQIEIIUPD-HNNXBMFYSA-N 2 2 351.466 4.001 20 0 FIADLP COc1cccc(Cl)c1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000237269938 1095043368 /nfs/dbraw/zinc/04/33/68/1095043368.db2.gz DNGAAJKWBHWFMT-UHFFFAOYSA-N 2 2 373.928 4.173 20 0 FIADLP Cc1[nH+]ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1Cl ZINC000502014918 1095056592 /nfs/dbraw/zinc/05/65/92/1095056592.db2.gz KUWSVXJNXQHNCD-UHFFFAOYSA-N 2 2 352.869 4.045 20 0 FIADLP CCOc1ccccc1[C@@H](CC)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420929943 1095171161 /nfs/dbraw/zinc/17/11/61/1095171161.db2.gz FCSRZJKYAMCDQN-JOCHJYFZSA-N 2 2 368.521 4.158 20 0 FIADLP CC(C)[C@@H](C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000475038885 1095253355 /nfs/dbraw/zinc/25/33/55/1095253355.db2.gz NICWGKZRTMZVPC-ZRBLBEILSA-N 2 2 351.538 4.446 20 0 FIADLP CC(C)[C@@H](C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000475038885 1095253368 /nfs/dbraw/zinc/25/33/68/1095253368.db2.gz NICWGKZRTMZVPC-ZRBLBEILSA-N 2 2 351.538 4.446 20 0 FIADLP CC(C)[C@@H](C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000475038885 1095253379 /nfs/dbraw/zinc/25/33/79/1095253379.db2.gz NICWGKZRTMZVPC-ZRBLBEILSA-N 2 2 351.538 4.446 20 0 FIADLP CC(C)[C@@H](C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000475038885 1095253397 /nfs/dbraw/zinc/25/33/97/1095253397.db2.gz NICWGKZRTMZVPC-ZRBLBEILSA-N 2 2 351.538 4.446 20 0 FIADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000502292470 1095314121 /nfs/dbraw/zinc/31/41/21/1095314121.db2.gz WTJBNZHSDUYDNJ-CTNGQTDRSA-N 2 2 364.537 4.280 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@@H+](CCSCc3ccccc3)C2)n2c1CCCC2 ZINC000502317452 1095341820 /nfs/dbraw/zinc/34/18/20/1095341820.db2.gz NGZVIANRDPXFRP-IBGZPJMESA-N 2 2 355.551 4.332 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@H+](CCSCc3ccccc3)C2)n2c1CCCC2 ZINC000502317452 1095341840 /nfs/dbraw/zinc/34/18/40/1095341840.db2.gz NGZVIANRDPXFRP-IBGZPJMESA-N 2 2 355.551 4.332 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@@H+](CCCCOc3ccccc3)C2)n2c1CCCC2 ZINC000502315106 1095364569 /nfs/dbraw/zinc/36/45/69/1095364569.db2.gz WQNKPEXMJMQRQX-IBGZPJMESA-N 2 2 353.510 4.258 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@H+](CCCCOc3ccccc3)C2)n2c1CCCC2 ZINC000502315106 1095364576 /nfs/dbraw/zinc/36/45/76/1095364576.db2.gz WQNKPEXMJMQRQX-IBGZPJMESA-N 2 2 353.510 4.258 20 0 FIADLP c1coc(-c2ncc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)s2)c1 ZINC000502345656 1095383752 /nfs/dbraw/zinc/38/37/52/1095383752.db2.gz LKYJSAAZUWOXIT-OAHLLOKOSA-N 2 2 368.506 4.316 20 0 FIADLP c1coc(-c2ncc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)s2)c1 ZINC000502345656 1095383765 /nfs/dbraw/zinc/38/37/65/1095383765.db2.gz LKYJSAAZUWOXIT-OAHLLOKOSA-N 2 2 368.506 4.316 20 0 FIADLP Cc1c(Cl)c(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)nn1C ZINC000421324160 1095521947 /nfs/dbraw/zinc/52/19/47/1095521947.db2.gz HXUFFQOWHKWKHO-HZPDHXFCSA-N 2 2 374.960 4.150 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cnn(C3CCCC3)c2)cc1F ZINC000502697343 1095721105 /nfs/dbraw/zinc/72/11/05/1095721105.db2.gz IEYDCUOBYCLWIK-OAHLLOKOSA-N 2 2 367.472 4.482 20 0 FIADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)nn1C ZINC000502707065 1095733253 /nfs/dbraw/zinc/73/32/53/1095733253.db2.gz JXZYBOSBXHGATB-SCTDSRPQSA-N 2 2 354.542 4.057 20 0 FIADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1C ZINC000502707065 1095733269 /nfs/dbraw/zinc/73/32/69/1095733269.db2.gz JXZYBOSBXHGATB-SCTDSRPQSA-N 2 2 354.542 4.057 20 0 FIADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(Nc2ccc(C)cc2)n1 ZINC000503061047 1096037839 /nfs/dbraw/zinc/03/78/39/1096037839.db2.gz DIBMWSKBDYCDEL-UHFFFAOYSA-N 2 2 355.511 4.222 20 0 FIADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1csc(Nc2ccc(C)cc2)n1 ZINC000503061047 1096037847 /nfs/dbraw/zinc/03/78/47/1096037847.db2.gz DIBMWSKBDYCDEL-UHFFFAOYSA-N 2 2 355.511 4.222 20 0 FIADLP CCc1cccc(OCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411892 1096391171 /nfs/dbraw/zinc/39/11/71/1096391171.db2.gz RWULIMVPWJYTTP-IBGZPJMESA-N 2 2 353.510 4.040 20 0 FIADLP CCc1cccc(OCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411892 1096391177 /nfs/dbraw/zinc/39/11/77/1096391177.db2.gz RWULIMVPWJYTTP-IBGZPJMESA-N 2 2 353.510 4.040 20 0 FIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422747204 1096481060 /nfs/dbraw/zinc/48/10/60/1096481060.db2.gz PMCLBCJLKAMUGC-RLLPEYFOSA-N 3 2 355.570 4.112 20 0 FIADLP Cc1c([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cnn1-c1ccc(F)cc1 ZINC000422784727 1096490045 /nfs/dbraw/zinc/49/00/45/1096490045.db2.gz OICXYPVBOJXITP-DYXDTQHNSA-N 2 2 350.441 4.115 20 0 FIADLP COc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)ccc1OCCC(C)C ZINC000422874206 1096517334 /nfs/dbraw/zinc/51/73/34/1096517334.db2.gz CGHOCCFIFXWWLT-WOJBJXKFSA-N 2 2 354.494 4.355 20 0 FIADLP COc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)ccc1OCCC(C)C ZINC000422874205 1096517530 /nfs/dbraw/zinc/51/75/30/1096517530.db2.gz CGHOCCFIFXWWLT-VQTJNVASSA-N 2 2 354.494 4.355 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000423011281 1096549563 /nfs/dbraw/zinc/54/95/63/1096549563.db2.gz INBKEWAKUFEZBS-OFAXGOBFSA-N 2 2 360.505 4.075 20 0 FIADLP CC(C)[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000423043647 1096558697 /nfs/dbraw/zinc/55/86/97/1096558697.db2.gz PKVOJNLYRYQHCA-CIAFKFPVSA-N 2 2 371.475 4.223 20 0 FIADLP CC(C)[N@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000423043647 1096558704 /nfs/dbraw/zinc/55/87/04/1096558704.db2.gz PKVOJNLYRYQHCA-CIAFKFPVSA-N 2 2 371.475 4.223 20 0 FIADLP Fc1ccc(-c2nc3c(s2)CCC[C@H]3[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423056582 1096559538 /nfs/dbraw/zinc/55/95/38/1096559538.db2.gz YOJJRMNSZLRYHO-FCLJQHQZSA-N 2 2 357.498 4.199 20 0 FIADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Cl)ccc1OC(F)F ZINC000423185119 1096597125 /nfs/dbraw/zinc/59/71/25/1096597125.db2.gz JECHXPDRICBRKP-CYBMUJFWSA-N 2 2 369.843 4.167 20 0 FIADLP COc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000423243715 1096628111 /nfs/dbraw/zinc/62/81/11/1096628111.db2.gz MVPJYOBONATMEH-HNAYVOBHSA-N 2 2 372.509 4.186 20 0 FIADLP C[N@H+](Cc1ccc(-c2ccccn2)nc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000425419997 1098570643 /nfs/dbraw/zinc/57/06/43/1098570643.db2.gz RMHCOLVRTWYWFV-UHFFFAOYSA-N 2 2 372.516 4.240 20 0 FIADLP C[N@@H+](Cc1ccc(-c2ccccn2)nc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000425419997 1098570656 /nfs/dbraw/zinc/57/06/56/1098570656.db2.gz RMHCOLVRTWYWFV-UHFFFAOYSA-N 2 2 372.516 4.240 20 0 FIADLP C[C@@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000435992704 1098624765 /nfs/dbraw/zinc/62/47/65/1098624765.db2.gz HTZKIVCPSGRTBT-BBWFWOEESA-N 2 2 366.509 4.086 20 0 FIADLP C[C@@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000435992704 1098624773 /nfs/dbraw/zinc/62/47/73/1098624773.db2.gz HTZKIVCPSGRTBT-BBWFWOEESA-N 2 2 366.509 4.086 20 0 FIADLP C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000532967817 1098635178 /nfs/dbraw/zinc/63/51/78/1098635178.db2.gz VLVMIJQRRTYVJL-CVEARBPZSA-N 2 2 351.332 4.460 20 0 FIADLP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000532967817 1098635185 /nfs/dbraw/zinc/63/51/85/1098635185.db2.gz VLVMIJQRRTYVJL-CVEARBPZSA-N 2 2 351.332 4.460 20 0 FIADLP Fc1ccc(C[NH+]2CCC([NH2+]Cc3cc4c(cccc4F)[nH]3)CC2)cc1 ZINC000436284206 1098887959 /nfs/dbraw/zinc/88/79/59/1098887959.db2.gz XHSJZLKJMVQWOS-UHFFFAOYSA-N 2 2 355.432 4.200 20 0 FIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)[nH+]1 ZINC000436275624 1098901635 /nfs/dbraw/zinc/90/16/35/1098901635.db2.gz PGLHTZKQASXVMG-PKTZIBPZSA-N 2 2 359.517 4.475 20 0 FIADLP Cc1cc(C)c(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000455475651 1099246914 /nfs/dbraw/zinc/24/69/14/1099246914.db2.gz DMDJWHLSGGSEPY-HXUWFJFHSA-N 2 2 366.509 4.135 20 0 FIADLP Cc1cc(C)c(NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000455475651 1099246921 /nfs/dbraw/zinc/24/69/21/1099246921.db2.gz DMDJWHLSGGSEPY-HXUWFJFHSA-N 2 2 366.509 4.135 20 0 FIADLP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455488866 1099271331 /nfs/dbraw/zinc/27/13/31/1099271331.db2.gz UZLOYKJSYKVDEM-UHFFFAOYSA-N 2 2 354.498 4.170 20 0 FIADLP Cc1cc(C)c(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000455500035 1099282751 /nfs/dbraw/zinc/28/27/51/1099282751.db2.gz SMBQXMHJMNIHRY-UHFFFAOYSA-N 2 2 354.498 4.039 20 0 FIADLP Cc1cc(C)c(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000455500035 1099282758 /nfs/dbraw/zinc/28/27/58/1099282758.db2.gz SMBQXMHJMNIHRY-UHFFFAOYSA-N 2 2 354.498 4.039 20 0 FIADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1nnc(-c2ccccc2)o1 ZINC000070870153 1099339297 /nfs/dbraw/zinc/33/92/97/1099339297.db2.gz FOYBRUWEOGTFNG-QGZVFWFLSA-N 2 2 364.493 4.429 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000437131861 1099630488 /nfs/dbraw/zinc/63/04/88/1099630488.db2.gz NNVPOTBHXMSDCM-HXUWFJFHSA-N 2 2 352.526 4.013 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000437131861 1099630500 /nfs/dbraw/zinc/63/05/00/1099630500.db2.gz NNVPOTBHXMSDCM-HXUWFJFHSA-N 2 2 352.526 4.013 20 0 FIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccsc1 ZINC000506025478 1099802519 /nfs/dbraw/zinc/80/25/19/1099802519.db2.gz GGLHNTMJKVJBSA-UHFFFAOYSA-N 2 2 355.507 4.436 20 0 FIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccsc1 ZINC000506025478 1099802532 /nfs/dbraw/zinc/80/25/32/1099802532.db2.gz GGLHNTMJKVJBSA-UHFFFAOYSA-N 2 2 355.507 4.436 20 0 FIADLP Cc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(OC(F)F)cc1C ZINC000536661130 1100132049 /nfs/dbraw/zinc/13/20/49/1100132049.db2.gz JOOWVWFCVIREGS-SFHVURJKSA-N 2 2 352.469 4.355 20 0 FIADLP Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(OC(F)F)cc1C ZINC000536661130 1100132066 /nfs/dbraw/zinc/13/20/66/1100132066.db2.gz JOOWVWFCVIREGS-SFHVURJKSA-N 2 2 352.469 4.355 20 0 FIADLP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1nc2ccccc2n1C ZINC000379622607 1100223176 /nfs/dbraw/zinc/22/31/76/1100223176.db2.gz GXWSMLNUHCTNIK-ZWKOTPCHSA-N 2 2 350.510 4.135 20 0 FIADLP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1nc2ccccc2n1C ZINC000379622607 1100223183 /nfs/dbraw/zinc/22/31/83/1100223183.db2.gz GXWSMLNUHCTNIK-ZWKOTPCHSA-N 2 2 350.510 4.135 20 0 FIADLP c1c(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)noc1-c1ccccc1 ZINC000425931932 1100305801 /nfs/dbraw/zinc/30/58/01/1100305801.db2.gz NNPRXZZWAJYDFJ-PMVMPFDFSA-N 2 2 373.500 4.342 20 0 FIADLP c1c(C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)noc1-c1ccccc1 ZINC000425931932 1100305808 /nfs/dbraw/zinc/30/58/08/1100305808.db2.gz NNPRXZZWAJYDFJ-PMVMPFDFSA-N 2 2 373.500 4.342 20 0 FIADLP Clc1cccc([C@@H](Cc2cccnc2)[NH2+]C[C@H]2CCCn3cc[nH+]c32)c1 ZINC000426027727 1100689218 /nfs/dbraw/zinc/68/92/18/1100689218.db2.gz CBWJHQXUBLOZMN-UYAOXDASSA-N 2 2 366.896 4.383 20 0 FIADLP Cc1ccc2cc([C@H](C)Nc3ccc(N4CC[C@H]([NH+](C)C)C4)c[nH+]3)oc2c1 ZINC000426057916 1100737161 /nfs/dbraw/zinc/73/71/61/1100737161.db2.gz CKBBYFXITLFFMD-LPHOPBHVSA-N 2 2 364.493 4.450 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CC[NH2+]1 ZINC000414950330 1100908299 /nfs/dbraw/zinc/90/82/99/1100908299.db2.gz OKPKSKRAKBQBRU-ZYHUDNBSSA-N 2 2 356.322 4.347 20 0 FIADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@H](C)Cc3cccc(F)c3)sc2C1 ZINC000459764722 1101377728 /nfs/dbraw/zinc/37/77/28/1101377728.db2.gz VEXLXQADIGCVLU-OAHLLOKOSA-N 2 2 361.530 4.112 20 0 FIADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@H](C)Cc3cccc(F)c3)sc2C1 ZINC000459764722 1101377741 /nfs/dbraw/zinc/37/77/41/1101377741.db2.gz VEXLXQADIGCVLU-OAHLLOKOSA-N 2 2 361.530 4.112 20 0 FIADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@H](C)Cc3cccc(F)c3)sc2C1 ZINC000459764722 1101377758 /nfs/dbraw/zinc/37/77/58/1101377758.db2.gz VEXLXQADIGCVLU-OAHLLOKOSA-N 2 2 361.530 4.112 20 0 FIADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)[C@H](C)Cc3cccc(F)c3)sc2C1 ZINC000459764722 1101377773 /nfs/dbraw/zinc/37/77/73/1101377773.db2.gz VEXLXQADIGCVLU-OAHLLOKOSA-N 2 2 361.530 4.112 20 0 FIADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CC[C@H](c4ccccc4)C3)C2)cc1 ZINC000428533904 1101548689 /nfs/dbraw/zinc/54/86/89/1101548689.db2.gz JEGSJPOEMYORHG-KMDXXIMOSA-N 2 2 364.533 4.203 20 0 FIADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CC[C@H](c4ccccc4)C3)C2)cc1 ZINC000428533904 1101548701 /nfs/dbraw/zinc/54/87/01/1101548701.db2.gz JEGSJPOEMYORHG-KMDXXIMOSA-N 2 2 364.533 4.203 20 0 FIADLP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000536846251 1101984394 /nfs/dbraw/zinc/98/43/94/1101984394.db2.gz RFQFWTZHIXGWFF-PNLZDCPESA-N 2 2 365.477 4.308 20 0 FIADLP CC(C)[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000519257607 1102037008 /nfs/dbraw/zinc/03/70/08/1102037008.db2.gz UMPQZMGUFAYIOD-OOMBGRCJSA-N 2 2 356.554 4.151 20 0 FIADLP CC(C)[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000519257607 1102037021 /nfs/dbraw/zinc/03/70/21/1102037021.db2.gz UMPQZMGUFAYIOD-OOMBGRCJSA-N 2 2 356.554 4.151 20 0 FIADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)ccc1F ZINC000090667320 1102305492 /nfs/dbraw/zinc/30/54/92/1102305492.db2.gz YKOBLFYXMNFCDI-HZPDHXFCSA-N 2 2 357.473 4.106 20 0 FIADLP C[N@@H+](Cc1cnc(C(C)(C)C)s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537632828 1102328152 /nfs/dbraw/zinc/32/81/52/1102328152.db2.gz UKJHUOIBCMLWKH-GOSISDBHSA-N 2 2 357.567 4.395 20 0 FIADLP C[N@H+](Cc1cnc(C(C)(C)C)s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537632828 1102328166 /nfs/dbraw/zinc/32/81/66/1102328166.db2.gz UKJHUOIBCMLWKH-GOSISDBHSA-N 2 2 357.567 4.395 20 0 FIADLP C[NH+](Cc1cnc(C(C)(C)C)s1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537632828 1102328180 /nfs/dbraw/zinc/32/81/80/1102328180.db2.gz UKJHUOIBCMLWKH-GOSISDBHSA-N 2 2 357.567 4.395 20 0 FIADLP C[NH+](Cc1cnc(C(C)(C)C)s1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537632828 1102328193 /nfs/dbraw/zinc/32/81/93/1102328193.db2.gz UKJHUOIBCMLWKH-GOSISDBHSA-N 2 2 357.567 4.395 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC000550797547 1102328919 /nfs/dbraw/zinc/32/89/19/1102328919.db2.gz RXVRJZKYRODOAK-YJLNNSPDSA-N 2 2 374.326 4.330 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC000550797547 1102328927 /nfs/dbraw/zinc/32/89/27/1102328927.db2.gz RXVRJZKYRODOAK-YJLNNSPDSA-N 2 2 374.326 4.330 20 0 FIADLP c1cn(CCCC[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)c[nH+]1 ZINC000532448987 1102336437 /nfs/dbraw/zinc/33/64/37/1102336437.db2.gz KUPIVUNIHSAYOZ-QGZVFWFLSA-N 2 2 352.507 4.454 20 0 FIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C)cn1 ZINC000121333925 1102384190 /nfs/dbraw/zinc/38/41/90/1102384190.db2.gz UKTFRJHZQLRCNF-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C)cn1 ZINC000121333925 1102384201 /nfs/dbraw/zinc/38/42/01/1102384201.db2.gz UKTFRJHZQLRCNF-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP CC(C)COc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000121348289 1102386626 /nfs/dbraw/zinc/38/66/26/1102386626.db2.gz ROBWBBZCZDPDJB-SFHVURJKSA-N 2 2 353.510 4.436 20 0 FIADLP CC1CCC([N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CC1 ZINC001168215694 1102497298 /nfs/dbraw/zinc/49/72/98/1102497298.db2.gz VEDQSAVPLQJREZ-UUKMXZOPSA-N 2 2 363.496 4.193 20 0 FIADLP CC1CCC([N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CC1 ZINC001168215694 1102497300 /nfs/dbraw/zinc/49/73/00/1102497300.db2.gz VEDQSAVPLQJREZ-UUKMXZOPSA-N 2 2 363.496 4.193 20 0 FIADLP CC1CCC([NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)CC1 ZINC001168215694 1102497311 /nfs/dbraw/zinc/49/73/11/1102497311.db2.gz VEDQSAVPLQJREZ-UUKMXZOPSA-N 2 2 363.496 4.193 20 0 FIADLP CC1CCC([NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CC1 ZINC001168215694 1102497314 /nfs/dbraw/zinc/49/73/14/1102497314.db2.gz VEDQSAVPLQJREZ-UUKMXZOPSA-N 2 2 363.496 4.193 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000303792102 1102562845 /nfs/dbraw/zinc/56/28/45/1102562845.db2.gz VDAAXDOYSJRKDN-RDPSFJRHSA-N 2 2 374.532 4.357 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000303792102 1102562853 /nfs/dbraw/zinc/56/28/53/1102562853.db2.gz VDAAXDOYSJRKDN-RDPSFJRHSA-N 2 2 374.532 4.357 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnn(-c3ccccc3)c2)CC[NH+]1Cc1ccccc1 ZINC000303792102 1102562855 /nfs/dbraw/zinc/56/28/55/1102562855.db2.gz VDAAXDOYSJRKDN-RDPSFJRHSA-N 2 2 374.532 4.357 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnn(-c3ccccc3)c2)CC[NH+]1Cc1ccccc1 ZINC000303792102 1102562861 /nfs/dbraw/zinc/56/28/61/1102562861.db2.gz VDAAXDOYSJRKDN-RDPSFJRHSA-N 2 2 374.532 4.357 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000303792101 1102563115 /nfs/dbraw/zinc/56/31/15/1102563115.db2.gz VDAAXDOYSJRKDN-HYBUGGRVSA-N 2 2 374.532 4.357 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000303792101 1102563120 /nfs/dbraw/zinc/56/31/20/1102563120.db2.gz VDAAXDOYSJRKDN-HYBUGGRVSA-N 2 2 374.532 4.357 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnn(-c3ccccc3)c2)CC[NH+]1Cc1ccccc1 ZINC000303792101 1102563126 /nfs/dbraw/zinc/56/31/26/1102563126.db2.gz VDAAXDOYSJRKDN-HYBUGGRVSA-N 2 2 374.532 4.357 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnn(-c3ccccc3)c2)CC[NH+]1Cc1ccccc1 ZINC000303792101 1102563132 /nfs/dbraw/zinc/56/31/32/1102563132.db2.gz VDAAXDOYSJRKDN-HYBUGGRVSA-N 2 2 374.532 4.357 20 0 FIADLP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccccc1-c1ccccc1 ZINC000532651200 1102703109 /nfs/dbraw/zinc/70/31/09/1102703109.db2.gz BSKAZBNZVIKDDL-UHFFFAOYSA-N 2 2 374.488 4.285 20 0 FIADLP C[NH+](C)C1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459311996 1102782887 /nfs/dbraw/zinc/78/28/87/1102782887.db2.gz WRGCVZGWEYHBRI-RMKNXTFCSA-N 2 2 350.506 4.305 20 0 FIADLP C[NH+](C)C1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459312017 1102783786 /nfs/dbraw/zinc/78/37/86/1102783786.db2.gz WRGCVZGWEYHBRI-TWGQIWQCSA-N 2 2 350.506 4.305 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)o2)CC[N@@H+]1Cc1ccccc1 ZINC000188739800 1102792693 /nfs/dbraw/zinc/79/26/93/1102792693.db2.gz KGCJMLIZKBWRFN-GOEBONIOSA-N 2 2 363.299 4.185 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)o2)CC[N@H+]1Cc1ccccc1 ZINC000188739800 1102792700 /nfs/dbraw/zinc/79/27/00/1102792700.db2.gz KGCJMLIZKBWRFN-GOEBONIOSA-N 2 2 363.299 4.185 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000551175193 1102949447 /nfs/dbraw/zinc/94/94/47/1102949447.db2.gz IDNABXXJGTXBTC-PCCBWWKXSA-N 2 2 358.913 4.453 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000551175193 1102949454 /nfs/dbraw/zinc/94/94/54/1102949454.db2.gz IDNABXXJGTXBTC-PCCBWWKXSA-N 2 2 358.913 4.453 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000537696224 1102952343 /nfs/dbraw/zinc/95/23/43/1102952343.db2.gz FELYXBIDLRHNEX-UTKZUKDTSA-N 2 2 372.944 4.059 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000537696224 1102952346 /nfs/dbraw/zinc/95/23/46/1102952346.db2.gz FELYXBIDLRHNEX-UTKZUKDTSA-N 2 2 372.944 4.059 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000537696224 1102952348 /nfs/dbraw/zinc/95/23/48/1102952348.db2.gz FELYXBIDLRHNEX-UTKZUKDTSA-N 2 2 372.944 4.059 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000537696224 1102952352 /nfs/dbraw/zinc/95/23/52/1102952352.db2.gz FELYXBIDLRHNEX-UTKZUKDTSA-N 2 2 372.944 4.059 20 0 FIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cncs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000136169391 1102981650 /nfs/dbraw/zinc/98/16/50/1102981650.db2.gz VZYQBRIXLIIKFZ-PBHICJAKSA-N 2 2 369.456 4.335 20 0 FIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cncs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000136169391 1102981654 /nfs/dbraw/zinc/98/16/54/1102981654.db2.gz VZYQBRIXLIIKFZ-PBHICJAKSA-N 2 2 369.456 4.335 20 0 FIADLP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cn2ccccc2n1 ZINC000551301502 1103059303 /nfs/dbraw/zinc/05/93/03/1103059303.db2.gz KMCHBWYKLKRZDE-QPXQOZNCSA-N 2 2 362.521 4.142 20 0 FIADLP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cn2ccccc2n1 ZINC000551301502 1103059321 /nfs/dbraw/zinc/05/93/21/1103059321.db2.gz KMCHBWYKLKRZDE-QPXQOZNCSA-N 2 2 362.521 4.142 20 0 FIADLP CC1(C)[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C[C@@H]1Oc1ccccc1 ZINC000551540960 1103319984 /nfs/dbraw/zinc/31/99/84/1103319984.db2.gz IFFUVCRRBCPNIE-VXKWHMMOSA-N 2 2 361.489 4.267 20 0 FIADLP CC1(C)[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C[C@@H]1Oc1ccccc1 ZINC000551538969 1103340784 /nfs/dbraw/zinc/34/07/84/1103340784.db2.gz PEYANSULLFZHIL-YADHBBJMSA-N 2 2 361.489 4.267 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(C(C)(C)C)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000551553111 1103350241 /nfs/dbraw/zinc/35/02/41/1103350241.db2.gz UMCJAUMYDQKWQM-GHTZIAJQSA-N 2 2 366.553 4.259 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(C(C)(C)C)nc2)CC[N@H+]1Cc1ccccc1 ZINC000551553111 1103350253 /nfs/dbraw/zinc/35/02/53/1103350253.db2.gz UMCJAUMYDQKWQM-GHTZIAJQSA-N 2 2 366.553 4.259 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc(C(C)(C)C)nc2)CC[NH+]1Cc1ccccc1 ZINC000551553111 1103350266 /nfs/dbraw/zinc/35/02/66/1103350266.db2.gz UMCJAUMYDQKWQM-GHTZIAJQSA-N 2 2 366.553 4.259 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc(C(C)(C)C)nc2)CC[NH+]1Cc1ccccc1 ZINC000551553111 1103350278 /nfs/dbraw/zinc/35/02/78/1103350278.db2.gz UMCJAUMYDQKWQM-GHTZIAJQSA-N 2 2 366.553 4.259 20 0 FIADLP Cc1csc(C2([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CCC2)n1 ZINC000507459407 1103404716 /nfs/dbraw/zinc/40/47/16/1103404716.db2.gz FWVLJHLOQZRDKY-XUVXKRRUSA-N 2 2 367.562 4.331 20 0 FIADLP Cc1csc(C2([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CCC2)n1 ZINC000507459407 1103404731 /nfs/dbraw/zinc/40/47/31/1103404731.db2.gz FWVLJHLOQZRDKY-XUVXKRRUSA-N 2 2 367.562 4.331 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000507509293 1103451630 /nfs/dbraw/zinc/45/16/30/1103451630.db2.gz KZGGENMMHKWDED-UHFFFAOYSA-N 2 2 360.851 4.378 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000507523793 1103468483 /nfs/dbraw/zinc/46/84/83/1103468483.db2.gz IPBGUICLXHQMQQ-QWHCGFSZSA-N 2 2 360.386 4.362 20 0 FIADLP CC1(c2ccc(Br)cc2)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000440529896 1103759231 /nfs/dbraw/zinc/75/92/31/1103759231.db2.gz XESAJLCSPGAEMP-UHFFFAOYSA-N 2 2 362.315 4.089 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000519831523 1103887749 /nfs/dbraw/zinc/88/77/49/1103887749.db2.gz XQEXVSVSSIKGQA-HKUYNNGSSA-N 2 2 357.542 4.134 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000519831523 1103887763 /nfs/dbraw/zinc/88/77/63/1103887763.db2.gz XQEXVSVSSIKGQA-HKUYNNGSSA-N 2 2 357.542 4.134 20 0 FIADLP Clc1cccc(N2CCCC2)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000538281454 1104102288 /nfs/dbraw/zinc/10/22/88/1104102288.db2.gz FSUSTDJWKASZKS-SFHVURJKSA-N 2 2 361.961 4.391 20 0 FIADLP Clc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000538281454 1104102293 /nfs/dbraw/zinc/10/22/93/1104102293.db2.gz FSUSTDJWKASZKS-SFHVURJKSA-N 2 2 361.961 4.391 20 0 FIADLP COC(=O)c1oc([C@@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1C ZINC000441319378 1104274827 /nfs/dbraw/zinc/27/48/27/1104274827.db2.gz UUMNAZTZAJNGGW-MSOLQXFVSA-N 2 2 362.514 4.024 20 0 FIADLP COC(=O)c1oc([C@@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1C ZINC000441319378 1104274835 /nfs/dbraw/zinc/27/48/35/1104274835.db2.gz UUMNAZTZAJNGGW-MSOLQXFVSA-N 2 2 362.514 4.024 20 0 FIADLP Clc1cccc(Cl)c1OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441395955 1104330069 /nfs/dbraw/zinc/33/00/69/1104330069.db2.gz BCOHUVOTCBNBIQ-KBXCAEBGSA-N 2 2 369.336 4.321 20 0 FIADLP Clc1cccc(Cl)c1OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441395955 1104330080 /nfs/dbraw/zinc/33/00/80/1104330080.db2.gz BCOHUVOTCBNBIQ-KBXCAEBGSA-N 2 2 369.336 4.321 20 0 FIADLP Clc1cccc(Cl)c1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441395955 1104330092 /nfs/dbraw/zinc/33/00/92/1104330092.db2.gz BCOHUVOTCBNBIQ-KBXCAEBGSA-N 2 2 369.336 4.321 20 0 FIADLP Clc1cccc(Cl)c1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441395955 1104330100 /nfs/dbraw/zinc/33/01/00/1104330100.db2.gz BCOHUVOTCBNBIQ-KBXCAEBGSA-N 2 2 369.336 4.321 20 0 FIADLP C[C@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000134032460 1104980613 /nfs/dbraw/zinc/98/06/13/1104980613.db2.gz IBCHAPFVDCRZRE-UGSOOPFHSA-N 2 2 371.282 4.281 20 0 FIADLP c1cn(-c2ccc(-c3noc([C@@H]4[NH2+]CCC[C@@H]4c4ccccc4)n3)cc2)c[nH+]1 ZINC001211870478 1105047548 /nfs/dbraw/zinc/04/75/48/1105047548.db2.gz QWBVHCLCGUFVQP-WOJBJXKFSA-N 2 2 371.444 4.131 20 0 FIADLP c1cn(-c2ccccc2-c2noc([C@@H]3[NH2+]CCC[C@H]3c3ccccc3)n2)c[nH+]1 ZINC001211870869 1105051690 /nfs/dbraw/zinc/05/16/90/1105051690.db2.gz XMEQRGYTBGHMDJ-FXAWDEMLSA-N 2 2 371.444 4.131 20 0 FIADLP Fc1ccccc1-c1nc2c(s1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000427876924 1105299777 /nfs/dbraw/zinc/29/97/77/1105299777.db2.gz RYJNIRPUHCCSMN-CJNGLKHVSA-N 2 2 368.481 4.128 20 0 FIADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(SCC(F)(F)F)cc1 ZINC000427879817 1105300382 /nfs/dbraw/zinc/30/03/82/1105300382.db2.gz YPXNDEAVYVNCDS-JSGCOSHPSA-N 2 2 355.429 4.203 20 0 FIADLP Fc1cccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccc(Cl)c2)c1 ZINC000427881155 1105300485 /nfs/dbraw/zinc/30/04/85/1105300485.db2.gz XYPMSXWJJIIYKK-UYAOXDASSA-N 2 2 355.844 4.370 20 0 FIADLP COc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2Cl)cc1 ZINC000427871244 1105305335 /nfs/dbraw/zinc/30/53/35/1105305335.db2.gz ZSBOBGRGQMKIKX-KKSFZXQISA-N 2 2 367.880 4.239 20 0 FIADLP C[C@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(F)cc1 ZINC000475347744 1106745603 /nfs/dbraw/zinc/74/56/03/1106745603.db2.gz IVOAYBRTWDEXPZ-NLNFPOJYSA-N 2 2 358.423 4.324 20 0 FIADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475352084 1106746694 /nfs/dbraw/zinc/74/66/94/1106746694.db2.gz HRLCFZUASFRMTJ-TZYSRNFLSA-N 2 2 358.423 4.152 20 0 FIADLP CCOc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1F ZINC000475357661 1106749281 /nfs/dbraw/zinc/74/92/81/1106749281.db2.gz WHJYQCHMCLMXQR-UHFFFAOYSA-N 2 2 374.422 4.119 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3coc4ccccc34)C2)CC1 ZINC000475357860 1106757686 /nfs/dbraw/zinc/75/76/86/1106757686.db2.gz YYPRHSIJTZRRAO-UHFFFAOYSA-N 2 2 352.400 4.328 20 0 FIADLP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CC[NH2+]C24CCC4)CCC3)cc1 ZINC000530217960 1106918603 /nfs/dbraw/zinc/91/86/03/1106918603.db2.gz HWWJTNRTMHPASG-WMZOPIPTSA-N 2 2 369.534 4.070 20 0 FIADLP COc1ccc([C@H]([NH2+]CCc2c[nH+]cn2C)c2ccccc2Cl)cc1 ZINC000530354808 1106981281 /nfs/dbraw/zinc/98/12/81/1106981281.db2.gz GGLCOVGGLVTYNU-FQEVSTJZSA-N 2 2 355.869 4.004 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000530386815 1106995502 /nfs/dbraw/zinc/99/55/02/1106995502.db2.gz CNJBBIUKPBKGJI-IEBWSBKVSA-N 2 2 364.489 4.442 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530386815 1106995507 /nfs/dbraw/zinc/99/55/07/1106995507.db2.gz CNJBBIUKPBKGJI-IEBWSBKVSA-N 2 2 364.489 4.442 20 0 FIADLP Brc1cccc2c(N3CCC([NH+]4CCCC4)CC3)cc[nH+]c12 ZINC000301495611 1107048628 /nfs/dbraw/zinc/04/86/28/1107048628.db2.gz ATGKAKAEUQFRSD-UHFFFAOYSA-N 2 2 360.299 4.062 20 0 FIADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cnc(-c3ccsc3)s1)C2 ZINC000531001731 1107448883 /nfs/dbraw/zinc/44/88/83/1107448883.db2.gz SJUQDOXVAIAZDA-AWEZNQCLSA-N 2 2 372.563 4.470 20 0 FIADLP Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000475511344 1107617735 /nfs/dbraw/zinc/61/77/35/1107617735.db2.gz KQPDHKWZFBDYME-UHFFFAOYSA-N 2 2 371.488 4.368 20 0 FIADLP CCOc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1OCC(C)C ZINC000475550527 1107710544 /nfs/dbraw/zinc/71/05/44/1107710544.db2.gz OAHZIBLZNDXMEF-UHFFFAOYSA-N 2 2 360.542 4.227 20 0 FIADLP Clc1ccccc1Cn1cc[nH+]c1NCc1cc(-n2cc[nH+]c2)cs1 ZINC000508503119 1108041907 /nfs/dbraw/zinc/04/19/07/1108041907.db2.gz HDXLOZSBBFNCJN-UHFFFAOYSA-N 2 2 369.881 4.444 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)C[C@H](c3ccccc3)C2)CC1 ZINC000531719250 1108111848 /nfs/dbraw/zinc/11/18/48/1108111848.db2.gz FKQBEOUQTHJCNO-HLAWJBBLSA-N 2 2 358.570 4.438 20 0 FIADLP Clc1ccc2sc(CC[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)nc2c1 ZINC000531778293 1108169231 /nfs/dbraw/zinc/16/92/31/1108169231.db2.gz KTRUTGVODJJHHC-UHFFFAOYSA-N 2 2 368.893 4.468 20 0 FIADLP CCc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)o1 ZINC000453231077 1108306173 /nfs/dbraw/zinc/30/61/73/1108306173.db2.gz GQZMJCWHRBPELH-VAMGGRTRSA-N 2 2 353.510 4.078 20 0 FIADLP CCc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)o1 ZINC000453231077 1108306188 /nfs/dbraw/zinc/30/61/88/1108306188.db2.gz GQZMJCWHRBPELH-VAMGGRTRSA-N 2 2 353.510 4.078 20 0 FIADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)c1ccc2c(c1)COC2 ZINC000453235470 1108309473 /nfs/dbraw/zinc/30/94/73/1108309473.db2.gz LYSZYSZTUQGRER-CQSZACIVSA-N 2 2 353.853 4.407 20 0 FIADLP Cc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)CC2)c(C)c1 ZINC000453238696 1108316116 /nfs/dbraw/zinc/31/61/16/1108316116.db2.gz AGCHDRNOALSXDQ-REWPJTCUSA-N 2 2 363.549 4.230 20 0 FIADLP Cc1ccc(C2(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)CC2)c(C)c1 ZINC000453238696 1108316129 /nfs/dbraw/zinc/31/61/29/1108316129.db2.gz AGCHDRNOALSXDQ-REWPJTCUSA-N 2 2 363.549 4.230 20 0 FIADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000453263035 1108336894 /nfs/dbraw/zinc/33/68/94/1108336894.db2.gz YJVAKJLDRWHCLO-HOCLYGCPSA-N 2 2 360.299 4.087 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3csc(C)c3)CC2)cc1 ZINC000453330818 1108389164 /nfs/dbraw/zinc/38/91/64/1108389164.db2.gz SVQLBCHXZFMCDB-INIZCTEOSA-N 2 2 371.550 4.330 20 0 FIADLP Cc1noc(C2CCC([NH2+]CC3([N@H+](C)Cc4ccccc4)CCC3)CC2)n1 ZINC000453303692 1108389493 /nfs/dbraw/zinc/38/94/93/1108389493.db2.gz NPECHZLLJKEPKJ-UHFFFAOYSA-N 2 2 368.525 4.049 20 0 FIADLP Cc1noc(C2CCC([NH2+]CC3([N@@H+](C)Cc4ccccc4)CCC3)CC2)n1 ZINC000453303692 1108389511 /nfs/dbraw/zinc/38/95/11/1108389511.db2.gz NPECHZLLJKEPKJ-UHFFFAOYSA-N 2 2 368.525 4.049 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000453336953 1108431970 /nfs/dbraw/zinc/43/19/70/1108431970.db2.gz ZDVMNXWCLCNBSV-INIZCTEOSA-N 2 2 369.484 4.099 20 0 FIADLP Cc1cc(N2CCC([NH2+]C(C)C)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000523975827 1108717955 /nfs/dbraw/zinc/71/79/55/1108717955.db2.gz UXPYRUXPSXWLTO-UHFFFAOYSA-N 2 2 367.415 4.409 20 0 FIADLP C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532249678 1108728088 /nfs/dbraw/zinc/72/80/88/1108728088.db2.gz ZIHSCAQPCLNQGH-IIBYNOLFSA-N 2 2 368.912 4.479 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(Oc3cccnc3)c(C)c1)CCC2 ZINC000525182831 1109293731 /nfs/dbraw/zinc/29/37/31/1109293731.db2.gz MFXNDHVKUDMROL-IBGZPJMESA-N 2 2 362.477 4.354 20 0 FIADLP C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000447895985 1109670543 /nfs/dbraw/zinc/67/05/43/1109670543.db2.gz FJXUTMXDLYMCIC-SJLPKXTDSA-N 2 2 357.567 4.441 20 0 FIADLP C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000447895985 1109670546 /nfs/dbraw/zinc/67/05/46/1109670546.db2.gz FJXUTMXDLYMCIC-SJLPKXTDSA-N 2 2 357.567 4.441 20 0 FIADLP C[C@H]([NH2+]Cc1ccsc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000527691561 1109805260 /nfs/dbraw/zinc/80/52/60/1109805260.db2.gz NNKSILGUPUDFMJ-JSGCOSHPSA-N 2 2 357.361 4.253 20 0 FIADLP C[C@H]([NH2+]Cc1ccsc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000527691561 1109805263 /nfs/dbraw/zinc/80/52/63/1109805263.db2.gz NNKSILGUPUDFMJ-JSGCOSHPSA-N 2 2 357.361 4.253 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000527882331 1109849087 /nfs/dbraw/zinc/84/90/87/1109849087.db2.gz AKGQNHAJUKCHPV-WSTZPKSXSA-N 2 2 366.553 4.391 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000527882331 1109849089 /nfs/dbraw/zinc/84/90/89/1109849089.db2.gz AKGQNHAJUKCHPV-WSTZPKSXSA-N 2 2 366.553 4.391 20 0 FIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)c(Br)cc1F ZINC000527902065 1109857688 /nfs/dbraw/zinc/85/76/88/1109857688.db2.gz FBYLGKHEMJYMKN-WAAKLRNESA-N 2 2 359.258 4.003 20 0 FIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)c(Br)cc1F ZINC000527902065 1109857691 /nfs/dbraw/zinc/85/76/91/1109857691.db2.gz FBYLGKHEMJYMKN-WAAKLRNESA-N 2 2 359.258 4.003 20 0 FIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)c(Br)cc1F ZINC000527902070 1109857980 /nfs/dbraw/zinc/85/79/80/1109857980.db2.gz FBYLGKHEMJYMKN-YEJSDXFRSA-N 2 2 359.258 4.003 20 0 FIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)c(Br)cc1F ZINC000527902070 1109857984 /nfs/dbraw/zinc/85/79/84/1109857984.db2.gz FBYLGKHEMJYMKN-YEJSDXFRSA-N 2 2 359.258 4.003 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000527948465 1109866908 /nfs/dbraw/zinc/86/69/08/1109866908.db2.gz LOSPRMZETFXKHA-HRAATJIYSA-N 2 2 370.541 4.028 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000527948465 1109866914 /nfs/dbraw/zinc/86/69/14/1109866914.db2.gz LOSPRMZETFXKHA-HRAATJIYSA-N 2 2 370.541 4.028 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)C[C@@H]1C ZINC000449026360 1109958759 /nfs/dbraw/zinc/95/87/59/1109958759.db2.gz FQTOHUOWYBENRG-KBPBESRZSA-N 2 2 365.493 4.393 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)C[C@@H]1C ZINC000449026360 1109958760 /nfs/dbraw/zinc/95/87/60/1109958760.db2.gz FQTOHUOWYBENRG-KBPBESRZSA-N 2 2 365.493 4.393 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)C[C@@H]1C ZINC000449026360 1109958764 /nfs/dbraw/zinc/95/87/64/1109958764.db2.gz FQTOHUOWYBENRG-KBPBESRZSA-N 2 2 365.493 4.393 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)C[C@@H]1C ZINC000449026360 1109958765 /nfs/dbraw/zinc/95/87/65/1109958765.db2.gz FQTOHUOWYBENRG-KBPBESRZSA-N 2 2 365.493 4.393 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(CCc3ccccc3)s2)C[C@H]1C ZINC000449029996 1109960339 /nfs/dbraw/zinc/96/03/39/1109960339.db2.gz QGNMZMUOJHHIKG-MJGOQNOKSA-N 2 2 357.567 4.233 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(CCc3ccccc3)s2)C[C@H]1C ZINC000449029996 1109960340 /nfs/dbraw/zinc/96/03/40/1109960340.db2.gz QGNMZMUOJHHIKG-MJGOQNOKSA-N 2 2 357.567 4.233 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(CCc3ccccc3)s2)C[C@H]1C ZINC000449029996 1109960344 /nfs/dbraw/zinc/96/03/44/1109960344.db2.gz QGNMZMUOJHHIKG-MJGOQNOKSA-N 2 2 357.567 4.233 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(CCc3ccccc3)s2)C[C@H]1C ZINC000449029996 1109960346 /nfs/dbraw/zinc/96/03/46/1109960346.db2.gz QGNMZMUOJHHIKG-MJGOQNOKSA-N 2 2 357.567 4.233 20 0 FIADLP c1c2cccnc2oc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000449049224 1109967840 /nfs/dbraw/zinc/96/78/40/1109967840.db2.gz RGZIZRMOFDSENN-UNMCSNQZSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cccnc2oc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000449049224 1109967844 /nfs/dbraw/zinc/96/78/44/1109967844.db2.gz RGZIZRMOFDSENN-UNMCSNQZSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cccnc2oc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000449049224 1109967845 /nfs/dbraw/zinc/96/78/45/1109967845.db2.gz RGZIZRMOFDSENN-UNMCSNQZSA-N 2 2 361.489 4.314 20 0 FIADLP c1c2cccnc2oc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000449049224 1109967846 /nfs/dbraw/zinc/96/78/46/1109967846.db2.gz RGZIZRMOFDSENN-UNMCSNQZSA-N 2 2 361.489 4.314 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449086059 1109971041 /nfs/dbraw/zinc/97/10/41/1109971041.db2.gz BORYBPAAVYFMMV-UHFFFAOYSA-N 2 2 357.567 4.281 20 0 FIADLP CCCC[NH+]1CCC([NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449099162 1109975964 /nfs/dbraw/zinc/97/59/64/1109975964.db2.gz MDSQQXMUHZVLEW-UHFFFAOYSA-N 2 2 357.567 4.282 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[C@H](C)O1 ZINC000449128615 1109981640 /nfs/dbraw/zinc/98/16/40/1109981640.db2.gz STVKQYIRYHQWRE-IEGUWTFLSA-N 2 2 361.489 4.254 20 0 FIADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)c2cccc(F)c2)CC1 ZINC000449138975 1109984093 /nfs/dbraw/zinc/98/40/93/1109984093.db2.gz DYVRASMALFPOKM-LJQANCHMSA-N 2 2 350.522 4.128 20 0 FIADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2cccc(Br)c2F)cc1F ZINC000449203821 1109995150 /nfs/dbraw/zinc/99/51/50/1109995150.db2.gz LEZFRIYATBZXRD-UHFFFAOYSA-N 2 2 369.253 4.079 20 0 FIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000449348102 1110037083 /nfs/dbraw/zinc/03/70/83/1110037083.db2.gz BFHGZMNFUCNUQN-BRWVUGGUSA-N 2 2 359.901 4.211 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000449520942 1110098297 /nfs/dbraw/zinc/09/82/97/1110098297.db2.gz GBMQKKFRPLGJCG-FXAWDEMLSA-N 2 2 357.542 4.025 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC(C)(C)C[C@@H]3C)CC2)cc1 ZINC000449523568 1110098795 /nfs/dbraw/zinc/09/87/95/1110098795.db2.gz LUZLNQGUCVIQLW-JTSKRJEESA-N 2 2 371.569 4.414 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@@H](C)c3ccccc3)CC2)cc1 ZINC000449526637 1110099311 /nfs/dbraw/zinc/09/93/11/1110099311.db2.gz WYCJMWCZTUHBDA-GOSISDBHSA-N 2 2 365.521 4.003 20 0 FIADLP Cc1cc2cc(NCCSCc3csc(C[NH+](C)C)n3)ccc2c[nH+]1 ZINC001168112528 1110157836 /nfs/dbraw/zinc/15/78/36/1110157836.db2.gz WKVMRFSKQYCPKL-UHFFFAOYSA-N 2 2 372.563 4.407 20 0 FIADLP Cn1cc[nH+]c1CC1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450321326 1110283033 /nfs/dbraw/zinc/28/30/33/1110283033.db2.gz RHOWPSPNLFMJGH-UHFFFAOYSA-N 2 2 358.848 4.220 20 0 FIADLP Clc1ccc(O[C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)cc1Cl ZINC000538349863 1111106506 /nfs/dbraw/zinc/10/65/06/1111106506.db2.gz QLVMKIMOVPGTIF-OAHLLOKOSA-N 2 2 354.281 4.123 20 0 FIADLP Clc1ccc(O[C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)cc1Cl ZINC000538349863 1111106507 /nfs/dbraw/zinc/10/65/07/1111106507.db2.gz QLVMKIMOVPGTIF-OAHLLOKOSA-N 2 2 354.281 4.123 20 0 FIADLP Cc1cccc2c1[C@H](C)C[C@H]2Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000538559898 1111193808 /nfs/dbraw/zinc/19/38/08/1111193808.db2.gz OHLZIEJRQZOHPU-YVWKXTFCSA-N 2 2 350.510 4.191 20 0 FIADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(F)c(F)c1 ZINC000538590102 1111211472 /nfs/dbraw/zinc/21/14/72/1111211472.db2.gz GDIRTVQZROWQMA-AWEZNQCLSA-N 2 2 360.452 4.063 20 0 FIADLP CC[N@H+](CCC1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1)CC(C)C ZINC000539099021 1111431512 /nfs/dbraw/zinc/43/15/12/1111431512.db2.gz NBPJDWLWIWHHLB-UHFFFAOYSA-N 2 2 370.541 4.317 20 0 FIADLP CC[N@@H+](CCC1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1)CC(C)C ZINC000539099021 1111431522 /nfs/dbraw/zinc/43/15/22/1111431522.db2.gz NBPJDWLWIWHHLB-UHFFFAOYSA-N 2 2 370.541 4.317 20 0 FIADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000552048320 1111557614 /nfs/dbraw/zinc/55/76/14/1111557614.db2.gz OKTQXNIHPBDHTG-UHFFFAOYSA-N 3 2 374.532 4.405 20 0 FIADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000552048320 1111557617 /nfs/dbraw/zinc/55/76/17/1111557617.db2.gz OKTQXNIHPBDHTG-UHFFFAOYSA-N 3 2 374.532 4.405 20 0 FIADLP C[N@@H+]1CC[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@@H]2CCC[C@H]21 ZINC000552067181 1111565485 /nfs/dbraw/zinc/56/54/85/1111565485.db2.gz BGVYEKVBSBEJAD-PCCBWWKXSA-N 2 2 350.510 4.171 20 0 FIADLP C[N@H+]1CC[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@@H]2CCC[C@H]21 ZINC000552067181 1111565488 /nfs/dbraw/zinc/56/54/88/1111565488.db2.gz BGVYEKVBSBEJAD-PCCBWWKXSA-N 2 2 350.510 4.171 20 0 FIADLP C[C@H](O)[C@](C)(C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000477854693 1111587315 /nfs/dbraw/zinc/58/73/15/1111587315.db2.gz GWCCITCYHILGMI-YDHSSHFGSA-N 2 2 363.505 4.153 20 0 FIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccs2)cc1 ZINC000552171108 1111602920 /nfs/dbraw/zinc/60/29/20/1111602920.db2.gz FMIGZWKWCJJYAY-UHFFFAOYSA-N 2 2 355.507 4.436 20 0 FIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccs2)cc1 ZINC000552171108 1111602923 /nfs/dbraw/zinc/60/29/23/1111602923.db2.gz FMIGZWKWCJJYAY-UHFFFAOYSA-N 2 2 355.507 4.436 20 0 FIADLP Brc1cccc2c(N3CCCC[C@H]([NH+]4CCCC4)C3)cc[nH+]c12 ZINC000552857037 1111833687 /nfs/dbraw/zinc/83/36/87/1111833687.db2.gz HEZRGYFKYGRBCD-HNNXBMFYSA-N 2 2 374.326 4.452 20 0 FIADLP CCC(CC)(C[NH2+][C@@H]1CCCc2nn(C)cc21)[NH2+][C@H](C)c1ccccc1 ZINC000479057301 1111938444 /nfs/dbraw/zinc/93/84/44/1111938444.db2.gz HUSJKUJEQAKIGJ-YLJYHZDGSA-N 2 2 354.542 4.297 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC[N@@H+]1C ZINC000479064265 1111939618 /nfs/dbraw/zinc/93/96/18/1111939618.db2.gz QCMNKDYYOCXLHC-ZLENFMNRSA-N 2 2 355.295 4.112 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC[N@H+]1C ZINC000479064265 1111939619 /nfs/dbraw/zinc/93/96/19/1111939619.db2.gz QCMNKDYYOCXLHC-ZLENFMNRSA-N 2 2 355.295 4.112 20 0 FIADLP C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000479458265 1112031170 /nfs/dbraw/zinc/03/11/70/1112031170.db2.gz SIBYDUVKRYORNS-RPVQJOFSSA-N 2 2 374.326 4.264 20 0 FIADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479475940 1112037875 /nfs/dbraw/zinc/03/78/75/1112037875.db2.gz OVUUBLYYCAHOCV-NWYYISDTSA-N 2 2 370.434 4.454 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H](Cc3ccccc3)C3CC3)C2)CC1 ZINC000479472440 1112043571 /nfs/dbraw/zinc/04/35/71/1112043571.db2.gz BYHDECIJXWIMRP-SOAGJPPSSA-N 2 2 366.471 4.403 20 0 FIADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000479853459 1112162667 /nfs/dbraw/zinc/16/26/67/1112162667.db2.gz PYGYLSFKHMOQJE-CVDCTZTESA-N 2 2 360.505 4.360 20 0 FIADLP CC(C)(C)OC(=O)c1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000554550957 1112392162 /nfs/dbraw/zinc/39/21/62/1112392162.db2.gz XWPOYRQZAMBOQG-UHFFFAOYSA-N 2 2 367.493 4.113 20 0 FIADLP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480610034 1112500287 /nfs/dbraw/zinc/50/02/87/1112500287.db2.gz NFSXGSVCKLNXTF-AQNXPRMDSA-N 3 2 354.542 4.281 20 0 FIADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccsc3Cl)cc2)C[C@H](C)O1 ZINC000480644120 1112519070 /nfs/dbraw/zinc/51/90/70/1112519070.db2.gz IJHCNHUCZRJTKR-GJZGRUSLSA-N 2 2 364.942 4.301 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480661327 1112526802 /nfs/dbraw/zinc/52/68/02/1112526802.db2.gz IIUGZKOHNQWJIL-HTAPYJJXSA-N 2 2 373.491 4.183 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480661327 1112526805 /nfs/dbraw/zinc/52/68/05/1112526805.db2.gz IIUGZKOHNQWJIL-HTAPYJJXSA-N 2 2 373.491 4.183 20 0 FIADLP Cn1c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)nc2cccc(Cl)c21 ZINC000480700907 1112561202 /nfs/dbraw/zinc/56/12/02/1112561202.db2.gz RVMYIGZHTGOHPO-UHFFFAOYSA-N 2 2 360.933 4.113 20 0 FIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000480761515 1112591789 /nfs/dbraw/zinc/59/17/89/1112591789.db2.gz SNGSFZZCMKYHKL-CJNGLKHVSA-N 2 2 356.470 4.201 20 0 FIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000480774303 1112599097 /nfs/dbraw/zinc/59/90/97/1112599097.db2.gz ZFYKBPDKNALYST-BBRMVZONSA-N 2 2 356.470 4.201 20 0 FIADLP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CCc4[nH+]c[nH]c4C2)CCC3)cc1 ZINC000554998780 1112610330 /nfs/dbraw/zinc/61/03/30/1112610330.db2.gz UWYOUKQPQDNIBN-DOTOQJQBSA-N 2 2 364.518 4.366 20 0 FIADLP Brc1cccc2c(NC3CC([NH+]4CCCCC4)C3)cc[nH+]c12 ZINC000480854478 1112637974 /nfs/dbraw/zinc/63/79/74/1112637974.db2.gz SKLGHEWGQKALBA-UHFFFAOYSA-N 2 2 360.299 4.426 20 0 FIADLP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)c3cccc(Cl)c3F)CC2)CC1 ZINC000480872852 1112643582 /nfs/dbraw/zinc/64/35/82/1112643582.db2.gz UWPBONTZGMHYCO-INIZCTEOSA-N 2 2 367.940 4.031 20 0 FIADLP Cc1c([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cnn1-c1ccc(F)cc1 ZINC000162858302 1112697223 /nfs/dbraw/zinc/69/72/23/1112697223.db2.gz UCPBOTBRCNXGHY-INIZCTEOSA-N 2 2 367.472 4.258 20 0 FIADLP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000481943042 1113135837 /nfs/dbraw/zinc/13/58/37/1113135837.db2.gz DYASQBIGVUHUCK-KSEOMHKRSA-N 2 2 369.553 4.163 20 0 FIADLP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000481943042 1113135840 /nfs/dbraw/zinc/13/58/40/1113135840.db2.gz DYASQBIGVUHUCK-KSEOMHKRSA-N 2 2 369.553 4.163 20 0 FIADLP CC1(C)CC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cc(Br)ccc21 ZINC000482001136 1113148294 /nfs/dbraw/zinc/14/82/94/1113148294.db2.gz LZHXLLUIWFBOKI-RHSMWYFYSA-N 2 2 374.326 4.363 20 0 FIADLP CCCc1cccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000481995624 1113151302 /nfs/dbraw/zinc/15/13/02/1113151302.db2.gz ZAFSQSXDJLFHFN-UHFFFAOYSA-N 2 2 351.538 4.173 20 0 FIADLP CCCc1cccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000481995624 1113151305 /nfs/dbraw/zinc/15/13/05/1113151305.db2.gz ZAFSQSXDJLFHFN-UHFFFAOYSA-N 2 2 351.538 4.173 20 0 FIADLP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000481995690 1113151512 /nfs/dbraw/zinc/15/15/12/1113151512.db2.gz WTERFBFVKGTAAP-LEWJYISDSA-N 2 2 362.521 4.153 20 0 FIADLP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000481995690 1113151514 /nfs/dbraw/zinc/15/15/14/1113151514.db2.gz WTERFBFVKGTAAP-LEWJYISDSA-N 2 2 362.521 4.153 20 0 FIADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000482642656 1113318451 /nfs/dbraw/zinc/31/84/51/1113318451.db2.gz NOJHXPJMEQCPRS-WFASDCNBSA-N 2 2 372.456 4.007 20 0 FIADLP COc1ccc([C@H](C)[NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)c2ccccc12 ZINC000482647679 1113319431 /nfs/dbraw/zinc/31/94/31/1113319431.db2.gz PLLWDAYLYGPINN-KRWDZBQOSA-N 2 2 370.537 4.388 20 0 FIADLP CC(C)C[C@](C)([NH2+]CCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000483037844 1113429123 /nfs/dbraw/zinc/42/91/23/1113429123.db2.gz DRWOEARQCGAEMM-KRWDZBQOSA-N 2 2 350.304 4.197 20 0 FIADLP COc1cc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)ccc1SC ZINC000483144253 1113452916 /nfs/dbraw/zinc/45/29/16/1113452916.db2.gz BNRVGDGJRAZCDM-OAHLLOKOSA-N 2 2 353.491 4.454 20 0 FIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(Br)c(Cl)s2)CC1 ZINC000483142977 1113453203 /nfs/dbraw/zinc/45/32/03/1113453203.db2.gz KNZPIBNGSRYUQW-UHFFFAOYSA-N 2 2 365.768 4.469 20 0 FIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(Br)c(Cl)s2)CC1 ZINC000483142977 1113453205 /nfs/dbraw/zinc/45/32/05/1113453205.db2.gz KNZPIBNGSRYUQW-UHFFFAOYSA-N 2 2 365.768 4.469 20 0 FIADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000483220851 1113467794 /nfs/dbraw/zinc/46/77/94/1113467794.db2.gz PTLCAAGOUVQOHF-GDBMZVCRSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000483220851 1113467796 /nfs/dbraw/zinc/46/77/96/1113467796.db2.gz PTLCAAGOUVQOHF-GDBMZVCRSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@H](c1cccc(Br)c1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000483220851 1113467799 /nfs/dbraw/zinc/46/77/99/1113467799.db2.gz PTLCAAGOUVQOHF-GDBMZVCRSA-N 2 2 351.332 4.174 20 0 FIADLP C[C@H](c1cccc(Br)c1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000483220851 1113467800 /nfs/dbraw/zinc/46/78/00/1113467800.db2.gz PTLCAAGOUVQOHF-GDBMZVCRSA-N 2 2 351.332 4.174 20 0 FIADLP Cc1nc2ccccc2nc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246279152 1113697492 /nfs/dbraw/zinc/69/74/92/1113697492.db2.gz BTWZXXSPBAAEGQ-IEBWSBKVSA-N 2 2 352.526 4.025 20 0 FIADLP Cc1nc2ccccc2nc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246279152 1113697495 /nfs/dbraw/zinc/69/74/95/1113697495.db2.gz BTWZXXSPBAAEGQ-IEBWSBKVSA-N 2 2 352.526 4.025 20 0 FIADLP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246279152 1113697499 /nfs/dbraw/zinc/69/74/99/1113697499.db2.gz BTWZXXSPBAAEGQ-IEBWSBKVSA-N 2 2 352.526 4.025 20 0 FIADLP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246279152 1113697501 /nfs/dbraw/zinc/69/75/01/1113697501.db2.gz BTWZXXSPBAAEGQ-IEBWSBKVSA-N 2 2 352.526 4.025 20 0 FIADLP COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000490079492 1114213856 /nfs/dbraw/zinc/21/38/56/1114213856.db2.gz KSZCPWLVPGLBAW-FQEVSTJZSA-N 2 2 355.869 4.345 20 0 FIADLP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000490079492 1114213860 /nfs/dbraw/zinc/21/38/60/1114213860.db2.gz KSZCPWLVPGLBAW-FQEVSTJZSA-N 2 2 355.869 4.345 20 0 FIADLP CC(C)(C)CCOc1cnccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000490406283 1114288960 /nfs/dbraw/zinc/28/89/60/1114288960.db2.gz ZDSAAOSETSVKHL-UHFFFAOYSA-N 2 2 368.525 4.050 20 0 FIADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)o1 ZINC000586757679 1114388629 /nfs/dbraw/zinc/38/86/29/1114388629.db2.gz DIJKDNBIKKYYEI-UHFFFAOYSA-N 2 2 372.856 4.213 20 0 FIADLP c1oc(-c2ccccc2)nc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000571211356 1114452888 /nfs/dbraw/zinc/45/28/88/1114452888.db2.gz GGQWAKDEWVJBBD-FGZHOGPDSA-N 2 2 373.500 4.296 20 0 FIADLP c1oc(-c2ccccc2)nc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000571211356 1114452890 /nfs/dbraw/zinc/45/28/90/1114452890.db2.gz GGQWAKDEWVJBBD-FGZHOGPDSA-N 2 2 373.500 4.296 20 0 FIADLP c1oc(-c2ccccc2)nc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000571211356 1114452892 /nfs/dbraw/zinc/45/28/92/1114452892.db2.gz GGQWAKDEWVJBBD-FGZHOGPDSA-N 2 2 373.500 4.296 20 0 FIADLP c1oc(-c2ccccc2)nc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000571211356 1114452894 /nfs/dbraw/zinc/45/28/94/1114452894.db2.gz GGQWAKDEWVJBBD-FGZHOGPDSA-N 2 2 373.500 4.296 20 0 FIADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CCCO1 ZINC000571382346 1114460662 /nfs/dbraw/zinc/46/06/62/1114460662.db2.gz SVIMRWVWFCZAGJ-MRXNPFEDSA-N 2 2 362.901 4.191 20 0 FIADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CCCO1 ZINC000571382346 1114460665 /nfs/dbraw/zinc/46/06/65/1114460665.db2.gz SVIMRWVWFCZAGJ-MRXNPFEDSA-N 2 2 362.901 4.191 20 0 FIADLP C[C@H]1C[C@H](C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000509446298 1114528627 /nfs/dbraw/zinc/52/86/27/1114528627.db2.gz HPVTYPLXKAVYTR-FPVCRCAZSA-N 2 2 364.533 4.059 20 0 FIADLP C[C@H]1C[C@H](C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000509446298 1114528631 /nfs/dbraw/zinc/52/86/31/1114528631.db2.gz HPVTYPLXKAVYTR-FPVCRCAZSA-N 2 2 364.533 4.059 20 0 FIADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000573255647 1115086992 /nfs/dbraw/zinc/08/69/92/1115086992.db2.gz CPIHYUQCLYNVLB-SJLPKXTDSA-N 2 2 353.510 4.376 20 0 FIADLP COc1cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1SC ZINC000608074918 1116080862 /nfs/dbraw/zinc/08/08/62/1116080862.db2.gz TXNKBFYTIVRSIA-SFHVURJKSA-N 2 2 367.518 4.224 20 0 FIADLP Cn1cc[nH+]c1C[C@@H](Nc1cc[nH+]c2ccc(Cl)cc12)c1ccccc1 ZINC000608094092 1116084335 /nfs/dbraw/zinc/08/43/35/1116084335.db2.gz BYXVGWMVXLWWGV-HXUWFJFHSA-N 2 2 362.864 4.440 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000534349820 1116187672 /nfs/dbraw/zinc/18/76/72/1116187672.db2.gz NDYZOKANENIHCO-UNMCSNQZSA-N 2 2 366.553 4.018 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000534349820 1116187673 /nfs/dbraw/zinc/18/76/73/1116187673.db2.gz NDYZOKANENIHCO-UNMCSNQZSA-N 2 2 366.553 4.018 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000534349820 1116187674 /nfs/dbraw/zinc/18/76/74/1116187674.db2.gz NDYZOKANENIHCO-UNMCSNQZSA-N 2 2 366.553 4.018 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000534349820 1116187675 /nfs/dbraw/zinc/18/76/75/1116187675.db2.gz NDYZOKANENIHCO-UNMCSNQZSA-N 2 2 366.553 4.018 20 0 FIADLP C[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1cccc(OCC[NH+](C)C)c1 ZINC000539626887 1116356006 /nfs/dbraw/zinc/35/60/06/1116356006.db2.gz FUULEAGDEOYTFL-SFHVURJKSA-N 2 2 368.525 4.185 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000539650386 1116358444 /nfs/dbraw/zinc/35/84/44/1116358444.db2.gz KHYPUXBELINAGZ-XLIONFOSSA-N 2 2 364.489 4.047 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC[N@H+]1Cc1ccccc1 ZINC000539650386 1116358445 /nfs/dbraw/zinc/35/84/45/1116358445.db2.gz KHYPUXBELINAGZ-XLIONFOSSA-N 2 2 364.489 4.047 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H](c3ccccc3)C3CC3)[nH+]c2)CC1 ZINC000539688734 1116365948 /nfs/dbraw/zinc/36/59/48/1116365948.db2.gz FMGSICONSIZJDQ-QFIPXVFZSA-N 2 2 350.510 4.175 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCC[C@@H]3c3ccccc3)[nH+]c2)CC1 ZINC000539691275 1116366137 /nfs/dbraw/zinc/36/61/37/1116366137.db2.gz XWJDDSPNWBYQBT-YADHBBJMSA-N 2 2 364.537 4.360 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000539733091 1116373126 /nfs/dbraw/zinc/37/31/26/1116373126.db2.gz HROFOADJKOKQAN-DYESRHJHSA-N 2 2 364.468 4.334 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000539733091 1116373128 /nfs/dbraw/zinc/37/31/28/1116373128.db2.gz HROFOADJKOKQAN-DYESRHJHSA-N 2 2 364.468 4.334 20 0 FIADLP Cc1ccc2ncc(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)n2c1 ZINC000539832779 1116388188 /nfs/dbraw/zinc/38/81/88/1116388188.db2.gz ZKWLSZHBAPDPDY-PZJWPPBQSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1ccc2ncc(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)n2c1 ZINC000539832779 1116388189 /nfs/dbraw/zinc/38/81/89/1116388189.db2.gz ZKWLSZHBAPDPDY-PZJWPPBQSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1ccc2ncc(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)n2c1 ZINC000539832779 1116388191 /nfs/dbraw/zinc/38/81/91/1116388191.db2.gz ZKWLSZHBAPDPDY-PZJWPPBQSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1ccc2ncc(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)n2c1 ZINC000539832779 1116388193 /nfs/dbraw/zinc/38/81/93/1116388193.db2.gz ZKWLSZHBAPDPDY-PZJWPPBQSA-N 2 2 362.521 4.128 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000539852089 1116393147 /nfs/dbraw/zinc/39/31/47/1116393147.db2.gz LVOUYGCTNPNCEF-HZPDHXFCSA-N 2 2 353.348 4.216 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000539852089 1116393149 /nfs/dbraw/zinc/39/31/49/1116393149.db2.gz LVOUYGCTNPNCEF-HZPDHXFCSA-N 2 2 353.348 4.216 20 0 FIADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)sc1Br ZINC000539896082 1117739565 /nfs/dbraw/zinc/73/95/65/1117739565.db2.gz ISUQQHSQSKHGEA-BBRMVZONSA-N 2 2 369.372 4.268 20 0 FIADLP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)sc1Br ZINC000539896082 1117739566 /nfs/dbraw/zinc/73/95/66/1117739566.db2.gz ISUQQHSQSKHGEA-BBRMVZONSA-N 2 2 369.372 4.268 20 0 FIADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)sc1Br ZINC000539896082 1117739567 /nfs/dbraw/zinc/73/95/67/1117739567.db2.gz ISUQQHSQSKHGEA-BBRMVZONSA-N 2 2 369.372 4.268 20 0 FIADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)sc1Br ZINC000539896082 1117739568 /nfs/dbraw/zinc/73/95/68/1117739568.db2.gz ISUQQHSQSKHGEA-BBRMVZONSA-N 2 2 369.372 4.268 20 0 FIADLP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1Cl ZINC000462811039 1117780664 /nfs/dbraw/zinc/78/06/64/1117780664.db2.gz FAYFILKQTRHDDJ-LAUBAEHRSA-N 2 2 357.929 4.086 20 0 FIADLP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1Cl ZINC000462811039 1117780666 /nfs/dbraw/zinc/78/06/66/1117780666.db2.gz FAYFILKQTRHDDJ-LAUBAEHRSA-N 2 2 357.929 4.086 20 0 FIADLP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1Cl ZINC000462811038 1117781002 /nfs/dbraw/zinc/78/10/02/1117781002.db2.gz FAYFILKQTRHDDJ-DYESRHJHSA-N 2 2 357.929 4.086 20 0 FIADLP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1Cl ZINC000462811038 1117781007 /nfs/dbraw/zinc/78/10/07/1117781007.db2.gz FAYFILKQTRHDDJ-DYESRHJHSA-N 2 2 357.929 4.086 20 0 FIADLP Clc1cccc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1Cl ZINC000540191983 1117921976 /nfs/dbraw/zinc/92/19/76/1117921976.db2.gz WLLMWHMFFXJPIJ-UHFFFAOYSA-N 2 2 350.293 4.190 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000463137441 1117985447 /nfs/dbraw/zinc/98/54/47/1117985447.db2.gz KQRKBJXNPKBNCF-UHFFFAOYSA-N 2 2 370.337 4.092 20 0 FIADLP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463140412 1117987198 /nfs/dbraw/zinc/98/71/98/1117987198.db2.gz HCOMTBIKBBISPZ-KRWDZBQOSA-N 2 2 356.485 4.192 20 0 FIADLP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CO2 ZINC000463193664 1118009607 /nfs/dbraw/zinc/00/96/07/1118009607.db2.gz SJEDGXXMIWBKDD-FQEVSTJZSA-N 2 2 356.897 4.070 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463279884 1118067761 /nfs/dbraw/zinc/06/77/61/1118067761.db2.gz KIIMKFKCLGHTJJ-JFTIXFDTSA-N 2 2 363.549 4.075 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463279884 1118067766 /nfs/dbraw/zinc/06/77/66/1118067766.db2.gz KIIMKFKCLGHTJJ-JFTIXFDTSA-N 2 2 363.549 4.075 20 0 FIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCSc4c(F)cccc43)[nH+]c2)C1 ZINC000540757874 1118225900 /nfs/dbraw/zinc/22/59/00/1118225900.db2.gz LNPWOKZBVCQHJC-YJBOKZPZSA-N 2 2 372.513 4.010 20 0 FIADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc2c(c1)CCC2 ZINC000540790025 1118248851 /nfs/dbraw/zinc/24/88/51/1118248851.db2.gz BDDVESXSIPMHMQ-KRWDZBQOSA-N 2 2 364.537 4.274 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](c2ccc(F)c(F)c2)C(C)C)CC1 ZINC000540986865 1118338236 /nfs/dbraw/zinc/33/82/36/1118338236.db2.gz MZYBUTZKOMCCQU-IBGZPJMESA-N 2 2 354.485 4.141 20 0 FIADLP CC(C)(C)Oc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000541202373 1118422211 /nfs/dbraw/zinc/42/22/11/1118422211.db2.gz HTAGWNFUHULNFE-UHFFFAOYSA-N 2 2 356.514 4.148 20 0 FIADLP Brc1cccc2c1CC[C@@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541390359 1118491804 /nfs/dbraw/zinc/49/18/04/1118491804.db2.gz QEJANPHHRVGFCH-KRWDZBQOSA-N 2 2 374.307 4.473 20 0 FIADLP C[C@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599100 1118574633 /nfs/dbraw/zinc/57/46/33/1118574633.db2.gz GTTKIZMYUFNTIB-RDJZCZTQSA-N 2 2 357.473 4.223 20 0 FIADLP C[C@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599100 1118574635 /nfs/dbraw/zinc/57/46/35/1118574635.db2.gz GTTKIZMYUFNTIB-RDJZCZTQSA-N 2 2 357.473 4.223 20 0 FIADLP Cc1ccc(C[C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)s1 ZINC000151889551 1118997988 /nfs/dbraw/zinc/99/79/88/1118997988.db2.gz VUZPPJCNOMNWAK-INIZCTEOSA-N 2 2 357.567 4.312 20 0 FIADLP CC(C)Oc1cccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000174655157 1119140037 /nfs/dbraw/zinc/14/00/37/1119140037.db2.gz LQLIDIFLGRYLSH-UHFFFAOYSA-N 2 2 367.537 4.008 20 0 FIADLP CC(C)Oc1cccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000174655157 1119140041 /nfs/dbraw/zinc/14/00/41/1119140041.db2.gz LQLIDIFLGRYLSH-UHFFFAOYSA-N 2 2 367.537 4.008 20 0 FIADLP Brc1ccccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309930413 1119305954 /nfs/dbraw/zinc/30/59/54/1119305954.db2.gz YVOQATLUJJYMTC-QGZVFWFLSA-N 2 2 359.311 4.061 20 0 FIADLP Brc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309930413 1119305957 /nfs/dbraw/zinc/30/59/57/1119305957.db2.gz YVOQATLUJJYMTC-QGZVFWFLSA-N 2 2 359.311 4.061 20 0 FIADLP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000177968705 1119363069 /nfs/dbraw/zinc/36/30/69/1119363069.db2.gz IXWKQYHUTAQRJD-INIZCTEOSA-N 2 2 357.567 4.372 20 0 FIADLP CCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000178207292 1119377570 /nfs/dbraw/zinc/37/75/70/1119377570.db2.gz LEYZADVRQJFUOW-LJQANCHMSA-N 2 2 368.521 4.158 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(Br)ccc1F ZINC000178256077 1119380375 /nfs/dbraw/zinc/38/03/75/1119380375.db2.gz FMYMUKAZCKKYPJ-LBPRGKRZSA-N 2 2 355.295 4.113 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(SC(F)F)cc1 ZINC000152821734 1119515157 /nfs/dbraw/zinc/51/51/57/1119515157.db2.gz QZHSRXNMUHJHTK-CYBMUJFWSA-N 2 2 351.466 4.427 20 0 FIADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000542478261 1119649418 /nfs/dbraw/zinc/64/94/18/1119649418.db2.gz KEPTWBWDXVUWGD-JBYIUTFZSA-N 2 2 355.501 4.268 20 0 FIADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC000187119002 1119767992 /nfs/dbraw/zinc/76/79/92/1119767992.db2.gz QNMNUFDIAWPCQX-UHFFFAOYSA-N 2 2 371.500 4.106 20 0 FIADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC000187119002 1119767995 /nfs/dbraw/zinc/76/79/95/1119767995.db2.gz QNMNUFDIAWPCQX-UHFFFAOYSA-N 2 2 371.500 4.106 20 0 FIADLP Brc1ccc(-c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)o2)cc1 ZINC000494425116 1119856178 /nfs/dbraw/zinc/85/61/78/1119856178.db2.gz KAJNRBHOBMLTNY-HNNXBMFYSA-N 2 2 372.266 4.010 20 0 FIADLP FC(F)(F)c1ccc(-c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)o2)cc1 ZINC000494426742 1119856333 /nfs/dbraw/zinc/85/63/33/1119856333.db2.gz CKMWSFGNZMSCMA-HNNXBMFYSA-N 2 2 361.367 4.267 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494481469 1119876588 /nfs/dbraw/zinc/87/65/88/1119876588.db2.gz AIJQKRHIJASPAB-RTWAWAEBSA-N 2 2 367.880 4.454 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494481470 1119876651 /nfs/dbraw/zinc/87/66/51/1119876651.db2.gz AIJQKRHIJASPAB-SFTDATJTSA-N 2 2 367.880 4.454 20 0 FIADLP C[C@H]1CC[C@@H](C[NH+]2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)O1 ZINC000190928749 1119954334 /nfs/dbraw/zinc/95/43/34/1119954334.db2.gz ZQOUOVQYHYSZSR-KXBFYZLASA-N 2 2 370.459 4.169 20 0 FIADLP C[C@H]1CC[C@@H](C[NH+]2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)O1 ZINC000190928749 1119954338 /nfs/dbraw/zinc/95/43/38/1119954338.db2.gz ZQOUOVQYHYSZSR-KXBFYZLASA-N 2 2 370.459 4.169 20 0 FIADLP Cc1c([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cnn1C(C)(C)C ZINC000191163108 1119963226 /nfs/dbraw/zinc/96/32/26/1119963226.db2.gz VRPDGKVDMUGSAP-INIZCTEOSA-N 2 2 351.498 4.042 20 0 FIADLP Cc1cc([C@@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)c2cccnc2)ccc1F ZINC000542488454 1119965334 /nfs/dbraw/zinc/96/53/34/1119965334.db2.gz GOTSVJVGLDKOMJ-XMSQKQJNSA-N 2 2 355.501 4.473 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000192154606 1120031910 /nfs/dbraw/zinc/03/19/10/1120031910.db2.gz XFBYFTCXZCIILA-GOSISDBHSA-N 2 2 374.488 4.158 20 0 FIADLP C[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000192542784 1120066420 /nfs/dbraw/zinc/06/64/20/1120066420.db2.gz XYBQQVPHHVOUTH-WZONZLPQSA-N 2 2 361.489 4.113 20 0 FIADLP CCOc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000494963408 1120404977 /nfs/dbraw/zinc/40/49/77/1120404977.db2.gz IHOIRYNBBGKORW-UHFFFAOYSA-N 2 2 356.485 4.321 20 0 FIADLP CCOc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000494963408 1120404981 /nfs/dbraw/zinc/40/49/81/1120404981.db2.gz IHOIRYNBBGKORW-UHFFFAOYSA-N 2 2 356.485 4.321 20 0 FIADLP Cc1ccc2c(c1)[C@@H](Nc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)[C@@H](C)C2 ZINC000495025095 1120433576 /nfs/dbraw/zinc/43/35/76/1120433576.db2.gz GTSBINUNZLHRDZ-SBUREZEXSA-N 2 2 364.537 4.266 20 0 FIADLP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000495049960 1120445493 /nfs/dbraw/zinc/44/54/93/1120445493.db2.gz UCVOPVKBVRXAIO-YLJYHZDGSA-N 2 2 357.473 4.170 20 0 FIADLP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]CCC3CCOCC3)C2)cc1 ZINC000433178992 1120446297 /nfs/dbraw/zinc/44/62/97/1120446297.db2.gz DSNDQFKOUDPYHD-BJKOFHAPSA-N 2 2 364.533 4.061 20 0 FIADLP c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]CCC3CCOCC3)C2)cc1 ZINC000433178992 1120446302 /nfs/dbraw/zinc/44/63/02/1120446302.db2.gz DSNDQFKOUDPYHD-BJKOFHAPSA-N 2 2 364.533 4.061 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)cn1 ZINC000762476772 1120914561 /nfs/dbraw/zinc/91/45/61/1120914561.db2.gz RMONNDBOZKRVQY-IBGZPJMESA-N 2 2 352.869 4.396 20 0 FIADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Br)ncc2F)C1 ZINC000762760838 1120960642 /nfs/dbraw/zinc/96/06/42/1120960642.db2.gz HWCCOXWGOKHIQE-KBPBESRZSA-N 2 2 372.326 4.002 20 0 FIADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Br)ncc2F)C1 ZINC000762760838 1120960645 /nfs/dbraw/zinc/96/06/45/1120960645.db2.gz HWCCOXWGOKHIQE-KBPBESRZSA-N 2 2 372.326 4.002 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc2c(c1)CCO2 ZINC000090667263 1121113716 /nfs/dbraw/zinc/11/37/16/1121113716.db2.gz IUTRKWNZLQAFDS-JTSKRJEESA-N 2 2 365.521 4.283 20 0 FIADLP COc1ccsc1[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000186178732 1121253542 /nfs/dbraw/zinc/25/35/42/1121253542.db2.gz MLFHFHNYQFIUKK-OAHLLOKOSA-N 2 2 359.539 4.142 20 0 FIADLP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045735563 1121253672 /nfs/dbraw/zinc/25/36/72/1121253672.db2.gz BZTNGTIEEYNUQV-UHFFFAOYSA-N 2 2 374.488 4.170 20 0 FIADLP CCOc1cc2c(cc1C[NH2+]C1CC[NH+](C3CCCCC3)CC1)O[C@H](C)C2 ZINC001649054908 1121363209 /nfs/dbraw/zinc/36/32/09/1121363209.db2.gz QCXDXXSVJLGSRS-QGZVFWFLSA-N 2 2 372.553 4.295 20 0 FIADLP COc1ccc2oc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)cc2c1 ZINC000124288628 1121679931 /nfs/dbraw/zinc/67/99/31/1121679931.db2.gz BEFSFQLGJNPJPK-UHFFFAOYSA-N 2 2 351.381 4.056 20 0 FIADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCCO2 ZINC000126539967 1121964253 /nfs/dbraw/zinc/96/42/53/1121964253.db2.gz GSZSVMKBDFZQMJ-SFHVURJKSA-N 2 2 359.901 4.227 20 0 FIADLP CCc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)o1 ZINC000126778643 1121990999 /nfs/dbraw/zinc/99/09/99/1121990999.db2.gz FCXOLFACBVRWRJ-HZPDHXFCSA-N 2 2 359.489 4.145 20 0 FIADLP CC(C)Cc1ccc(C(=O)C2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000089425235 1122081554 /nfs/dbraw/zinc/08/15/54/1122081554.db2.gz JZGZWUYRMYXHBF-QFIPXVFZSA-N 2 2 356.554 4.264 20 0 FIADLP CC(C)Cc1ccc(C(=O)C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000089425235 1122081557 /nfs/dbraw/zinc/08/15/57/1122081557.db2.gz JZGZWUYRMYXHBF-QFIPXVFZSA-N 2 2 356.554 4.264 20 0 FIADLP Nc1ccccc1N(c1ccc[nH+]c1N)C1CC[NH+](Cc2ccccc2)CC1 ZINC001212405435 1122136592 /nfs/dbraw/zinc/13/65/92/1122136592.db2.gz BBKYAIWEUFNLHJ-UHFFFAOYSA-N 2 2 373.504 4.049 20 0 FIADLP Cn1ccc([C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)c2ccc(Cl)cc2)n1 ZINC000542674571 1122217006 /nfs/dbraw/zinc/21/70/06/1122217006.db2.gz UFKHOWUADQIYNF-NRFANRHFSA-N 2 2 368.912 4.014 20 0 FIADLP C[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000129718060 1122683307 /nfs/dbraw/zinc/68/33/07/1122683307.db2.gz LFQQLWNMYYBTSQ-COPCDDAFSA-N 2 2 374.488 4.146 20 0 FIADLP C[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000129718060 1122683311 /nfs/dbraw/zinc/68/33/11/1122683311.db2.gz LFQQLWNMYYBTSQ-COPCDDAFSA-N 2 2 374.488 4.146 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556168066 1122708090 /nfs/dbraw/zinc/70/80/90/1122708090.db2.gz DFROQXQWOBPERQ-GGAORHGYSA-N 2 2 360.505 4.106 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556168066 1122708094 /nfs/dbraw/zinc/70/80/94/1122708094.db2.gz DFROQXQWOBPERQ-GGAORHGYSA-N 2 2 360.505 4.106 20 0 FIADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000130473794 1122850815 /nfs/dbraw/zinc/85/08/15/1122850815.db2.gz PYWPQAKYAVMFBK-UHFFFAOYSA-N 2 2 370.522 4.058 20 0 FIADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000130473794 1122850823 /nfs/dbraw/zinc/85/08/23/1122850823.db2.gz PYWPQAKYAVMFBK-UHFFFAOYSA-N 2 2 370.522 4.058 20 0 FIADLP COc1cc(OC)c([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1Cl ZINC000131224059 1123005526 /nfs/dbraw/zinc/00/55/26/1123005526.db2.gz UZOYFAXZNOKMKT-AWEZNQCLSA-N 2 2 354.922 4.128 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000498922525 1123082162 /nfs/dbraw/zinc/08/21/62/1123082162.db2.gz FANASSFNUMPTCV-FQEVSTJZSA-N 2 2 360.517 4.241 20 0 FIADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cc1F ZINC000132221569 1123232546 /nfs/dbraw/zinc/23/25/46/1123232546.db2.gz LUXZYXOVOZJWOT-HXUWFJFHSA-N 2 2 355.432 4.493 20 0 FIADLP C[N@H+](Cc1ccc(F)c2cccnc12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322089 1123350969 /nfs/dbraw/zinc/35/09/69/1123350969.db2.gz SNLMSVHSQMTKOB-UHFFFAOYSA-N 2 2 363.480 4.470 20 0 FIADLP C[N@@H+](Cc1ccc(F)c2cccnc12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322089 1123350973 /nfs/dbraw/zinc/35/09/73/1123350973.db2.gz SNLMSVHSQMTKOB-UHFFFAOYSA-N 2 2 363.480 4.470 20 0 FIADLP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)CCC2 ZINC000132842349 1123369020 /nfs/dbraw/zinc/36/90/20/1123369020.db2.gz AIJZDUGEBDSKMH-INIZCTEOSA-N 2 2 364.415 4.355 20 0 FIADLP CC(C)[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000236604106 1123536989 /nfs/dbraw/zinc/53/69/89/1123536989.db2.gz BEESPYRWBIIVBR-UHFFFAOYSA-N 2 2 354.542 4.132 20 0 FIADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2nc(-c3cccs3)no2)c1 ZINC000079307358 1123874006 /nfs/dbraw/zinc/87/40/06/1123874006.db2.gz VIRGFFKOEMNMTO-HNNXBMFYSA-N 2 2 370.522 4.491 20 0 FIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCOCC2CC2)CC1 ZINC000136942741 1123950660 /nfs/dbraw/zinc/95/06/60/1123950660.db2.gz GTZNBRYWDGFTAT-UHFFFAOYSA-N 2 2 370.459 4.028 20 0 FIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCOCC2CC2)CC1 ZINC000136942741 1123950663 /nfs/dbraw/zinc/95/06/63/1123950663.db2.gz GTZNBRYWDGFTAT-UHFFFAOYSA-N 2 2 370.459 4.028 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@H](C)C1 ZINC000137643995 1123978951 /nfs/dbraw/zinc/97/89/51/1123978951.db2.gz IMTNTSCEJSMVMX-IUODEOHRSA-N 2 2 355.404 4.009 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@H](C)C1 ZINC000137643995 1123978956 /nfs/dbraw/zinc/97/89/56/1123978956.db2.gz IMTNTSCEJSMVMX-IUODEOHRSA-N 2 2 355.404 4.009 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@H](C)C1 ZINC000137643995 1123978957 /nfs/dbraw/zinc/97/89/57/1123978957.db2.gz IMTNTSCEJSMVMX-IUODEOHRSA-N 2 2 355.404 4.009 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@H](C)C1 ZINC000137643995 1123978960 /nfs/dbraw/zinc/97/89/60/1123978960.db2.gz IMTNTSCEJSMVMX-IUODEOHRSA-N 2 2 355.404 4.009 20 0 FIADLP c1cn(C2CCCC2)nc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245641022 1124158857 /nfs/dbraw/zinc/15/88/57/1124158857.db2.gz ATHLKCOVJWQJIF-UADZTWIMSA-N 2 2 364.537 4.283 20 0 FIADLP c1cn(C2CCCC2)nc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245641022 1124158862 /nfs/dbraw/zinc/15/88/62/1124158862.db2.gz ATHLKCOVJWQJIF-UADZTWIMSA-N 2 2 364.537 4.283 20 0 FIADLP c1csc(-c2ncc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)s2)c1 ZINC000245730402 1124225319 /nfs/dbraw/zinc/22/53/19/1124225319.db2.gz FDECBGSRWFSZBL-WMLDXEAASA-N 2 2 359.564 4.320 20 0 FIADLP c1csc(-c2ncc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)s2)c1 ZINC000245730402 1124225327 /nfs/dbraw/zinc/22/53/27/1124225327.db2.gz FDECBGSRWFSZBL-WMLDXEAASA-N 2 2 359.564 4.320 20 0 FIADLP c1csc(-c2ncc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)s2)c1 ZINC000245730402 1124225334 /nfs/dbraw/zinc/22/53/34/1124225334.db2.gz FDECBGSRWFSZBL-WMLDXEAASA-N 2 2 359.564 4.320 20 0 FIADLP c1csc(-c2ncc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)s2)c1 ZINC000245730402 1124225338 /nfs/dbraw/zinc/22/53/38/1124225338.db2.gz FDECBGSRWFSZBL-WMLDXEAASA-N 2 2 359.564 4.320 20 0 FIADLP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)c2ccccc2Cl)cc1 ZINC000245885416 1124272025 /nfs/dbraw/zinc/27/20/25/1124272025.db2.gz BPQJUGROGFRRJI-IIBYNOLFSA-N 2 2 358.913 4.369 20 0 FIADLP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2ccccc2Cl)cc1 ZINC000245885416 1124272031 /nfs/dbraw/zinc/27/20/31/1124272031.db2.gz BPQJUGROGFRRJI-IIBYNOLFSA-N 2 2 358.913 4.369 20 0 FIADLP CC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Oc1cccc(C)c1 ZINC000246368849 1124470924 /nfs/dbraw/zinc/47/09/24/1124470924.db2.gz JCLRPWQLBDOHAL-KJXAQDMKSA-N 2 2 367.537 4.048 20 0 FIADLP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Oc1cccc(C)c1 ZINC000246368849 1124470927 /nfs/dbraw/zinc/47/09/27/1124470927.db2.gz JCLRPWQLBDOHAL-KJXAQDMKSA-N 2 2 367.537 4.048 20 0 FIADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246423440 1124500937 /nfs/dbraw/zinc/50/09/37/1124500937.db2.gz CFLDSDVVSVFRJJ-SPEDKVCISA-N 2 2 369.553 4.086 20 0 FIADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246423440 1124500944 /nfs/dbraw/zinc/50/09/44/1124500944.db2.gz CFLDSDVVSVFRJJ-SPEDKVCISA-N 2 2 369.553 4.086 20 0 FIADLP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246423440 1124500954 /nfs/dbraw/zinc/50/09/54/1124500954.db2.gz CFLDSDVVSVFRJJ-SPEDKVCISA-N 2 2 369.553 4.086 20 0 FIADLP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246423440 1124500963 /nfs/dbraw/zinc/50/09/63/1124500963.db2.gz CFLDSDVVSVFRJJ-SPEDKVCISA-N 2 2 369.553 4.086 20 0 FIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246701739 1124550473 /nfs/dbraw/zinc/55/04/73/1124550473.db2.gz MXYQCEPNOPPLFJ-KYJSFNMBSA-N 2 2 359.901 4.472 20 0 FIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246701739 1124550480 /nfs/dbraw/zinc/55/04/80/1124550480.db2.gz MXYQCEPNOPPLFJ-KYJSFNMBSA-N 2 2 359.901 4.472 20 0 FIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246701739 1124550486 /nfs/dbraw/zinc/55/04/86/1124550486.db2.gz MXYQCEPNOPPLFJ-KYJSFNMBSA-N 2 2 359.901 4.472 20 0 FIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246701739 1124550492 /nfs/dbraw/zinc/55/04/92/1124550492.db2.gz MXYQCEPNOPPLFJ-KYJSFNMBSA-N 2 2 359.901 4.472 20 0 FIADLP CCCOCc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247233384 1124602950 /nfs/dbraw/zinc/60/29/50/1124602950.db2.gz YKEHDXGKQBFPJU-XXBNENTESA-N 2 2 367.537 4.008 20 0 FIADLP CCCOCc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247233384 1124603020 /nfs/dbraw/zinc/60/30/20/1124603020.db2.gz YKEHDXGKQBFPJU-XXBNENTESA-N 2 2 367.537 4.008 20 0 FIADLP COc1ccc([C@H](C)CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000247980254 1124736143 /nfs/dbraw/zinc/73/61/43/1124736143.db2.gz IGLUJGUADHXANF-SELNLUPBSA-N 2 2 367.537 4.084 20 0 FIADLP COc1ccc([C@H](C)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000247980254 1124736149 /nfs/dbraw/zinc/73/61/49/1124736149.db2.gz IGLUJGUADHXANF-SELNLUPBSA-N 2 2 367.537 4.084 20 0 FIADLP O[C@H](C[NH+]1CCC[C@H]1c1cccs1)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000248734682 1124807451 /nfs/dbraw/zinc/80/74/51/1124807451.db2.gz MKIUZVPGVPIMOC-BJWYYQGGSA-N 2 2 362.564 4.145 20 0 FIADLP O[C@H](C[NH+]1CCC[C@H]1c1cccs1)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000248734682 1124807459 /nfs/dbraw/zinc/80/74/59/1124807459.db2.gz MKIUZVPGVPIMOC-BJWYYQGGSA-N 2 2 362.564 4.145 20 0 FIADLP O[C@@H](C[NH+]1CCC[C@@H]1c1cccs1)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000248734682 1124807471 /nfs/dbraw/zinc/80/74/71/1124807471.db2.gz MKIUZVPGVPIMOC-BJWYYQGGSA-N 2 2 362.564 4.145 20 0 FIADLP O[C@@H](C[NH+]1CCC[C@@H]1c1cccs1)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000248734682 1124807478 /nfs/dbraw/zinc/80/74/78/1124807478.db2.gz MKIUZVPGVPIMOC-BJWYYQGGSA-N 2 2 362.564 4.145 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(Cl)c1Cl ZINC000090525147 1125000816 /nfs/dbraw/zinc/00/08/16/1125000816.db2.gz JIQOWNQJPJJQSM-VHSSKADRSA-N 2 2 371.352 4.412 20 0 FIADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667737 1125013089 /nfs/dbraw/zinc/01/30/89/1125013089.db2.gz SVQYVPNAGLZEJJ-PGRDOPGGSA-N 2 2 365.521 4.419 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1nc2c(s1)CCCC2 ZINC000093404963 1125320311 /nfs/dbraw/zinc/32/03/11/1125320311.db2.gz LYMPQUANRVZUDW-IEBWSBKVSA-N 2 2 369.578 4.237 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1nc2c(s1)CCCC2 ZINC000093404963 1125320315 /nfs/dbraw/zinc/32/03/15/1125320315.db2.gz LYMPQUANRVZUDW-IEBWSBKVSA-N 2 2 369.578 4.237 20 0 FIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1Br ZINC000097393500 132305875 /nfs/dbraw/zinc/30/58/75/132305875.db2.gz LVSHBNQTSNTRQR-AWEZNQCLSA-N 2 2 360.299 4.164 20 0 FIADLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]C2CCC(C)(c3ccccc3)CC2)CCO1 ZINC000275616153 527512658 /nfs/dbraw/zinc/51/26/58/527512658.db2.gz RIWOHAYQAFPUQA-JWKYQKFGSA-N 2 2 353.510 4.130 20 0 FIADLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]C2CCC(C)(c3ccccc3)CC2)CCO1 ZINC000275616163 527512716 /nfs/dbraw/zinc/51/27/16/527512716.db2.gz RIWOHAYQAFPUQA-UGBHNFHBSA-N 2 2 353.510 4.130 20 0 FIADLP CC[NH+]1CCC([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000603509969 568110407 /nfs/dbraw/zinc/11/04/07/568110407.db2.gz RFNXYPULUCFVDN-UHFFFAOYSA-N 2 2 369.456 4.403 20 0 FIADLP Fc1cccc(N2CCCC2)c1C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604069259 568206011 /nfs/dbraw/zinc/20/60/11/568206011.db2.gz KIKUYMHDUBGVMC-FQEVSTJZSA-N 2 2 367.512 4.180 20 0 FIADLP Fc1cccc(N2CCCC2)c1C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000604069259 568206012 /nfs/dbraw/zinc/20/60/12/568206012.db2.gz KIKUYMHDUBGVMC-FQEVSTJZSA-N 2 2 367.512 4.180 20 0 FIADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1F ZINC000390890291 568484968 /nfs/dbraw/zinc/48/49/68/568484968.db2.gz YCVQKAZGAMKJBL-DENIHFKCSA-N 2 2 356.485 4.158 20 0 FIADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1F ZINC000390890291 568484969 /nfs/dbraw/zinc/48/49/69/568484969.db2.gz YCVQKAZGAMKJBL-DENIHFKCSA-N 2 2 356.485 4.158 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)s1 ZINC000390903017 568521335 /nfs/dbraw/zinc/52/13/35/568521335.db2.gz ITMJXXQAVHNZLC-NVXWUHKLSA-N 2 2 364.942 4.343 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)s1 ZINC000390903017 568521336 /nfs/dbraw/zinc/52/13/36/568521336.db2.gz ITMJXXQAVHNZLC-NVXWUHKLSA-N 2 2 364.942 4.343 20 0 FIADLP CC1CC[NH+](Cc2ccc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)cc2)CC1 ZINC000605122139 568574566 /nfs/dbraw/zinc/57/45/66/568574566.db2.gz HYTNFKBDTYDUDK-UHFFFAOYSA-N 2 2 374.488 4.357 20 0 FIADLP Brc1ccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)o2)cc1 ZINC000010314106 570699858 /nfs/dbraw/zinc/69/98/58/570699858.db2.gz TUTFXPHXILCZEF-UHFFFAOYSA-N 2 2 360.255 4.086 20 0 FIADLP Fc1cccc(Cl)c1COc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000040719405 571092376 /nfs/dbraw/zinc/09/23/76/571092376.db2.gz DSTGJXKRTUNQEI-UHFFFAOYSA-N 2 2 373.859 4.435 20 0 FIADLP COc1cc2cc[nH+]c(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2cc1F ZINC001165048758 721978522 /nfs/dbraw/zinc/97/85/22/721978522.db2.gz GPVXBSDJSNXXPO-QGZVFWFLSA-N 2 2 357.473 4.227 20 0 FIADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(Br)c1 ZINC000152811900 1125659453 /nfs/dbraw/zinc/65/94/53/1125659453.db2.gz NCKNSJGBHANCAH-QGZVFWFLSA-N 2 2 362.315 4.265 20 0 FIADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1Br ZINC000152836521 1125663265 /nfs/dbraw/zinc/66/32/65/1125663265.db2.gz FGVJHJZEHSPSTF-QGZVFWFLSA-N 2 2 362.315 4.265 20 0 FIADLP C[N@@H+]1CCCc2cc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc21 ZINC000182957122 1125702867 /nfs/dbraw/zinc/70/28/67/1125702867.db2.gz MHUXMTRFAUDUTC-UHFFFAOYSA-N 2 2 360.505 4.017 20 0 FIADLP C[N@H+]1CCCc2cc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc21 ZINC000182957122 1125702873 /nfs/dbraw/zinc/70/28/73/1125702873.db2.gz MHUXMTRFAUDUTC-UHFFFAOYSA-N 2 2 360.505 4.017 20 0 FIADLP Brc1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000221138354 1079566775 /nfs/dbraw/zinc/56/67/75/1079566775.db2.gz OGAOFCWFXQMRIQ-UHFFFAOYSA-N 2 2 362.296 4.029 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncc(-c2ccccc2C)o1 ZINC000579788451 1079714054 /nfs/dbraw/zinc/71/40/54/1079714054.db2.gz BQKOTOGWSJDDAP-UHFFFAOYSA-N 2 2 352.482 4.321 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncc(-c2ccccc2C)o1 ZINC000579788451 1079714064 /nfs/dbraw/zinc/71/40/64/1079714064.db2.gz BQKOTOGWSJDDAP-UHFFFAOYSA-N 2 2 352.482 4.321 20 0 FIADLP C[N@H+](CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1CCCCC1 ZINC000547732881 1080311114 /nfs/dbraw/zinc/31/11/14/1080311114.db2.gz KXZJWYTWRUPGBD-UHFFFAOYSA-N 2 2 360.889 4.119 20 0 FIADLP C[N@@H+](CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1CCCCC1 ZINC000547732881 1080311119 /nfs/dbraw/zinc/31/11/19/1080311119.db2.gz KXZJWYTWRUPGBD-UHFFFAOYSA-N 2 2 360.889 4.119 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000179832622 1080326605 /nfs/dbraw/zinc/32/66/05/1080326605.db2.gz LQTPXXGAHUZQPF-UHFFFAOYSA-N 2 2 360.933 4.105 20 0 FIADLP Fc1cccc([C@H]([NH2+]CCn2cc[nH+]c2)c2cccc(Br)c2)c1 ZINC000179992257 1080403431 /nfs/dbraw/zinc/40/34/31/1080403431.db2.gz BHZKBTOAYSXOBY-GOSISDBHSA-N 2 2 374.257 4.164 20 0 FIADLP COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000510169150 1080654526 /nfs/dbraw/zinc/65/45/26/1080654526.db2.gz KWCVNPJNCUTXTN-BOPFTXTBSA-N 2 2 365.452 4.351 20 0 FIADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109792202 1080761098 /nfs/dbraw/zinc/76/10/98/1080761098.db2.gz QWGPOCXBQVQXCA-QFIPXVFZSA-N 2 2 374.488 4.208 20 0 FIADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109792198 1080761115 /nfs/dbraw/zinc/76/11/15/1080761115.db2.gz QWGPOCXBQVQXCA-JOCHJYFZSA-N 2 2 374.488 4.208 20 0 FIADLP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543989091 1080950013 /nfs/dbraw/zinc/95/00/13/1080950013.db2.gz SZFDWZJOIMWARG-HNNXBMFYSA-N 2 2 371.510 4.248 20 0 FIADLP Cc1nc(-c2ccc([C@@H](C)[NH2+]Cc3ncc(C[NH+](C)C)s3)cc2)cs1 ZINC000510270911 1080968699 /nfs/dbraw/zinc/96/86/99/1080968699.db2.gz UEFJROGSNHNEHU-CYBMUJFWSA-N 2 2 372.563 4.487 20 0 FIADLP Clc1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCCC2)cc1 ZINC000655717079 1081137334 /nfs/dbraw/zinc/13/73/34/1081137334.db2.gz UJOGRFZIONFWGY-SFTDATJTSA-N 2 2 362.945 4.414 20 0 FIADLP CC(C)(C)[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000655722556 1081140244 /nfs/dbraw/zinc/14/02/44/1081140244.db2.gz FBUBEZAUQPLTAB-FXAWDEMLSA-N 2 2 366.496 4.285 20 0 FIADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655721778 1081140442 /nfs/dbraw/zinc/14/04/42/1081140442.db2.gz BEHSEULSGJZFBY-SFTDATJTSA-N 2 2 370.562 4.183 20 0 FIADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)cc1F ZINC000655752182 1081169889 /nfs/dbraw/zinc/16/98/89/1081169889.db2.gz VJESBFKPVXKBCF-QFBILLFUSA-N 2 2 354.897 4.019 20 0 FIADLP C[C@H](C[NH2+]CC(C)(C)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC001648889268 1081343950 /nfs/dbraw/zinc/34/39/50/1081343950.db2.gz OJGBPAOYQGHPOS-OAHLLOKOSA-N 2 2 353.348 4.191 20 0 FIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Br)c(F)c1F ZINC001648886873 1081347875 /nfs/dbraw/zinc/34/78/75/1081347875.db2.gz QIIPUQCZFUYVAY-CYBMUJFWSA-N 2 2 372.257 4.128 20 0 FIADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000122894870 1081415794 /nfs/dbraw/zinc/41/57/94/1081415794.db2.gz DZNWMBWOEVOCFW-HNNXBMFYSA-N 2 2 358.536 4.468 20 0 FIADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000122894870 1081415796 /nfs/dbraw/zinc/41/57/96/1081415796.db2.gz DZNWMBWOEVOCFW-HNNXBMFYSA-N 2 2 358.536 4.468 20 0 FIADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CC3 ZINC000123133209 1081424261 /nfs/dbraw/zinc/42/42/61/1081424261.db2.gz UYGCVPCDBOAQAM-QGZVFWFLSA-N 2 2 372.472 4.009 20 0 FIADLP Cc1ccc([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CCCC2)o1 ZINC000580245333 1081772225 /nfs/dbraw/zinc/77/22/25/1081772225.db2.gz JFBHLTHCHXLZIO-HSZRJFAPSA-N 2 2 368.521 4.441 20 0 FIADLP c1nc(C2CC2)sc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000580259387 1081787244 /nfs/dbraw/zinc/78/72/44/1081787244.db2.gz GECDWSQJOQXNBJ-OAQYLSRUSA-N 2 2 353.535 4.119 20 0 FIADLP c1nc(C2CC2)sc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000580259387 1081787252 /nfs/dbraw/zinc/78/72/52/1081787252.db2.gz GECDWSQJOQXNBJ-OAQYLSRUSA-N 2 2 353.535 4.119 20 0 FIADLP c1nc(C2CC2)sc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000580259387 1081787259 /nfs/dbraw/zinc/78/72/59/1081787259.db2.gz GECDWSQJOQXNBJ-OAQYLSRUSA-N 2 2 353.535 4.119 20 0 FIADLP c1nc(C2CC2)sc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000580259387 1081787269 /nfs/dbraw/zinc/78/72/69/1081787269.db2.gz GECDWSQJOQXNBJ-OAQYLSRUSA-N 2 2 353.535 4.119 20 0 FIADLP C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001167397224 1081938845 /nfs/dbraw/zinc/93/88/45/1081938845.db2.gz FCXHDQSVVDVCPU-JTHBVZDNSA-N 2 2 363.549 4.077 20 0 FIADLP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001167397224 1081938847 /nfs/dbraw/zinc/93/88/47/1081938847.db2.gz FCXHDQSVVDVCPU-JTHBVZDNSA-N 2 2 363.549 4.077 20 0 FIADLP CCn1nc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000312936523 1082049577 /nfs/dbraw/zinc/04/95/77/1082049577.db2.gz FRPSIODFFOQICF-AZUAARDMSA-N 2 2 362.521 4.056 20 0 FIADLP CCn1nc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000312936523 1082049582 /nfs/dbraw/zinc/04/95/82/1082049582.db2.gz FRPSIODFFOQICF-AZUAARDMSA-N 2 2 362.521 4.056 20 0 FIADLP Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1Br ZINC001167429483 1082076626 /nfs/dbraw/zinc/07/66/26/1082076626.db2.gz KARYLXOZEDPANH-INIZCTEOSA-N 2 2 351.332 4.065 20 0 FIADLP Cc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1Br ZINC001167429483 1082076631 /nfs/dbraw/zinc/07/66/31/1082076631.db2.gz KARYLXOZEDPANH-INIZCTEOSA-N 2 2 351.332 4.065 20 0 FIADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3c[nH+]c(C)n3C)s2)cc1 ZINC000581201247 1082367446 /nfs/dbraw/zinc/36/74/46/1082367446.db2.gz BKIIHKUHDIOIKG-LBPRGKRZSA-N 2 2 356.495 4.020 20 0 FIADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000581278678 1082430169 /nfs/dbraw/zinc/43/01/69/1082430169.db2.gz WVYDVJQGVPGEBQ-SJKOYZFVSA-N 2 2 355.309 4.041 20 0 FIADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000581278678 1082430174 /nfs/dbraw/zinc/43/01/74/1082430174.db2.gz WVYDVJQGVPGEBQ-SJKOYZFVSA-N 2 2 355.309 4.041 20 0 FIADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000581278678 1082430177 /nfs/dbraw/zinc/43/01/77/1082430177.db2.gz WVYDVJQGVPGEBQ-SJKOYZFVSA-N 2 2 355.309 4.041 20 0 FIADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000581278678 1082430180 /nfs/dbraw/zinc/43/01/80/1082430180.db2.gz WVYDVJQGVPGEBQ-SJKOYZFVSA-N 2 2 355.309 4.041 20 0 FIADLP CC[C@@H](Cc1cccs1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000684412461 1082861580 /nfs/dbraw/zinc/86/15/80/1082861580.db2.gz LNHMDTBMIVUZBB-FHERZECASA-N 2 2 360.489 4.464 20 0 FIADLP C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178199848 1082973918 /nfs/dbraw/zinc/97/39/18/1082973918.db2.gz QSWPLDUBHNONCE-ROUUACIJSA-N 2 2 374.488 4.411 20 0 FIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](CC(C)C)c2ccccc2C)CC1 ZINC000581960698 1083102119 /nfs/dbraw/zinc/10/21/19/1083102119.db2.gz LFHCRZODEPZRNU-NRFANRHFSA-N 2 2 360.542 4.089 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCc3ccc(Br)cc31)CCC2 ZINC000510720742 1083261145 /nfs/dbraw/zinc/26/11/45/1083261145.db2.gz LTXCPFSWAOPDGR-WMLDXEAASA-N 2 2 360.299 4.109 20 0 FIADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000510737032 1083288003 /nfs/dbraw/zinc/28/80/03/1083288003.db2.gz RRYSRPRJZPIJCV-PBHICJAKSA-N 2 2 360.489 4.053 20 0 FIADLP CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000612188641 1083535400 /nfs/dbraw/zinc/53/54/00/1083535400.db2.gz BIRZZZLGJLVFLX-UHFFFAOYSA-N 2 2 369.490 4.179 20 0 FIADLP Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc(C(F)(F)F)c1 ZINC001143462410 1083644994 /nfs/dbraw/zinc/64/49/94/1083644994.db2.gz KOQGKJAHYMYPMS-QGZVFWFLSA-N 2 2 350.384 4.371 20 0 FIADLP Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc(C(F)(F)F)c1 ZINC001143462410 1083644999 /nfs/dbraw/zinc/64/49/99/1083644999.db2.gz KOQGKJAHYMYPMS-QGZVFWFLSA-N 2 2 350.384 4.371 20 0 FIADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000535838254 1083795214 /nfs/dbraw/zinc/79/52/14/1083795214.db2.gz KVMZVWRNFGZRMZ-QTJGBDASSA-N 2 2 364.533 4.409 20 0 FIADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000535838254 1083795226 /nfs/dbraw/zinc/79/52/26/1083795226.db2.gz KVMZVWRNFGZRMZ-QTJGBDASSA-N 2 2 364.533 4.409 20 0 FIADLP CC(C)[NH+]1CCC([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000236621304 1083955685 /nfs/dbraw/zinc/95/56/85/1083955685.db2.gz OOUUNEAIPVNZOS-UHFFFAOYSA-N 2 2 366.553 4.188 20 0 FIADLP C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001167504292 1084140459 /nfs/dbraw/zinc/14/04/59/1084140459.db2.gz JLYPVFBJNWAARU-MBSDFSHPSA-N 2 2 368.496 4.241 20 0 FIADLP C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001167504292 1084140468 /nfs/dbraw/zinc/14/04/68/1084140468.db2.gz JLYPVFBJNWAARU-MBSDFSHPSA-N 2 2 368.496 4.241 20 0 FIADLP c1cn(-c2cccc(C[NH2+][C@H]3CCCOc4cc5c(cc43)CCC5)c2)c[nH+]1 ZINC000431330509 1084403161 /nfs/dbraw/zinc/40/31/61/1084403161.db2.gz BVCJPVIWVBQBJV-QFIPXVFZSA-N 2 2 359.473 4.365 20 0 FIADLP CC(C)Oc1ccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000564667384 1084781759 /nfs/dbraw/zinc/78/17/59/1084781759.db2.gz ANBALNGAVLULPJ-UHFFFAOYSA-N 2 2 358.448 4.023 20 0 FIADLP C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261775701 1084881047 /nfs/dbraw/zinc/88/10/47/1084881047.db2.gz XIWXPXOLAOSFJW-GMTAPVOTSA-N 2 2 354.338 4.454 20 0 FIADLP C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261775701 1084881052 /nfs/dbraw/zinc/88/10/52/1084881052.db2.gz XIWXPXOLAOSFJW-GMTAPVOTSA-N 2 2 354.338 4.454 20 0 FIADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684957971 1085314987 /nfs/dbraw/zinc/31/49/87/1085314987.db2.gz RCZBTQUCVUXVLE-PMACEKPBSA-N 2 2 365.452 4.129 20 0 FIADLP Cc1cccc2oc(CC[NH2+][C@@H]3C[N@H+](Cc4ccccc4)C(C)(C)C3)nc21 ZINC000685000135 1085443870 /nfs/dbraw/zinc/44/38/70/1085443870.db2.gz AZGSXGYPAOGZEY-IBGZPJMESA-N 2 2 363.505 4.321 20 0 FIADLP Cc1cccc2oc(CC[NH2+][C@@H]3C[N@@H+](Cc4ccccc4)C(C)(C)C3)nc21 ZINC000685000135 1085443875 /nfs/dbraw/zinc/44/38/75/1085443875.db2.gz AZGSXGYPAOGZEY-IBGZPJMESA-N 2 2 363.505 4.321 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652151654 1085720426 /nfs/dbraw/zinc/72/04/26/1085720426.db2.gz YRPNJUAPVZSCOF-OAQYLSRUSA-N 2 2 359.558 4.182 20 0 FIADLP Fc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2Cl)cc1 ZINC000582994561 1086005042 /nfs/dbraw/zinc/00/50/42/1086005042.db2.gz HKRFBRPMABPFKR-MGPUTAFESA-N 2 2 355.844 4.439 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000663354290 1086457158 /nfs/dbraw/zinc/45/71/58/1086457158.db2.gz OJJJJCMISINWTG-YJBOKZPZSA-N 2 2 363.427 4.243 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000663354290 1086457161 /nfs/dbraw/zinc/45/71/61/1086457161.db2.gz OJJJJCMISINWTG-YJBOKZPZSA-N 2 2 363.427 4.243 20 0 FIADLP Cc1[nH+]cc(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1-c1ccccc1 ZINC000512178169 1086894589 /nfs/dbraw/zinc/89/45/89/1086894589.db2.gz IGPSQOCSSZFHHN-OAQYLSRUSA-N 2 2 366.553 4.125 20 0 FIADLP Cc1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1-c1ccccc1 ZINC000512178169 1086894596 /nfs/dbraw/zinc/89/45/96/1086894596.db2.gz IGPSQOCSSZFHHN-OAQYLSRUSA-N 2 2 366.553 4.125 20 0 FIADLP Cc1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1-c1ccccc1 ZINC000512178169 1086894603 /nfs/dbraw/zinc/89/46/03/1086894603.db2.gz IGPSQOCSSZFHHN-OAQYLSRUSA-N 2 2 366.553 4.125 20 0 FIADLP Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCC2 ZINC000151130159 1086945541 /nfs/dbraw/zinc/94/55/41/1086945541.db2.gz WYKSZTFWKOAKIM-MRXNPFEDSA-N 2 2 356.470 4.203 20 0 FIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000151159221 1086975110 /nfs/dbraw/zinc/97/51/10/1086975110.db2.gz PVOXMGRLJJXTRB-KRWDZBQOSA-N 2 2 353.441 4.342 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(OC(F)F)c1 ZINC000151328848 1087089245 /nfs/dbraw/zinc/08/92/45/1087089245.db2.gz CQHFCGCBMQTTII-HNNXBMFYSA-N 2 2 357.404 4.384 20 0 FIADLP C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151694870 1087212692 /nfs/dbraw/zinc/21/26/92/1087212692.db2.gz QYFOPNKIOMKVLU-QZTJIDSGSA-N 2 2 374.488 4.411 20 0 FIADLP Cc1c[nH+]ccc1OC1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)CC1 ZINC000584296060 1087252757 /nfs/dbraw/zinc/25/27/57/1087252757.db2.gz BVWFNHCTSPNWOH-UHFFFAOYSA-N 2 2 364.493 4.205 20 0 FIADLP CC(C)[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1cccnc1 ZINC000091344659 1087427720 /nfs/dbraw/zinc/42/77/20/1087427720.db2.gz LWMGSZLEALCEQM-SIKLNZKXSA-N 2 2 367.537 4.268 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1nc2ccccc2n1C ZINC000091367670 1087428401 /nfs/dbraw/zinc/42/84/01/1087428401.db2.gz UATSDWFETRWXHR-HBFSDRIKSA-N 2 2 362.521 4.135 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1nc2ccccc2n1C ZINC000091367670 1087428405 /nfs/dbraw/zinc/42/84/05/1087428405.db2.gz UATSDWFETRWXHR-HBFSDRIKSA-N 2 2 362.521 4.135 20 0 FIADLP CCCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092071967 1087438092 /nfs/dbraw/zinc/43/80/92/1087438092.db2.gz DFOCXPIMWXIKTL-HNNXBMFYSA-N 2 2 363.889 4.240 20 0 FIADLP CCCOc1c(Cl)cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092071967 1087438095 /nfs/dbraw/zinc/43/80/95/1087438095.db2.gz DFOCXPIMWXIKTL-HNNXBMFYSA-N 2 2 363.889 4.240 20 0 FIADLP CCOc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OCC(C)C ZINC000092073874 1087438129 /nfs/dbraw/zinc/43/81/29/1087438129.db2.gz CGUQUMJNAZAKCK-GOSISDBHSA-N 2 2 357.498 4.223 20 0 FIADLP CCOc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OCC(C)C ZINC000092073874 1087438132 /nfs/dbraw/zinc/43/81/32/1087438132.db2.gz CGUQUMJNAZAKCK-GOSISDBHSA-N 2 2 357.498 4.223 20 0 FIADLP COc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c(C)c1OC ZINC000685467930 1087578027 /nfs/dbraw/zinc/57/80/27/1087578027.db2.gz RCEQZKNLNKYTKO-UHFFFAOYSA-N 2 2 368.521 4.109 20 0 FIADLP COc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c(C)c1OC ZINC000685467930 1087578029 /nfs/dbraw/zinc/57/80/29/1087578029.db2.gz RCEQZKNLNKYTKO-UHFFFAOYSA-N 2 2 368.521 4.109 20 0 FIADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C(F)F)nc1 ZINC000657897698 1087592930 /nfs/dbraw/zinc/59/29/30/1087592930.db2.gz VEZGPILEBJYEKA-RDTXWAMCSA-N 2 2 356.420 4.387 20 0 FIADLP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1)C1CC1 ZINC000511304307 1087609582 /nfs/dbraw/zinc/60/95/82/1087609582.db2.gz XDFLSLRKKLXTLC-UHFFFAOYSA-N 2 2 360.461 4.109 20 0 FIADLP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1)C1CC1 ZINC000511304307 1087609584 /nfs/dbraw/zinc/60/95/84/1087609584.db2.gz XDFLSLRKKLXTLC-UHFFFAOYSA-N 2 2 360.461 4.109 20 0 FIADLP CC[N@H+](Cc1oc(C)nc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000685568438 1087629982 /nfs/dbraw/zinc/62/99/82/1087629982.db2.gz CMFAXYCBNYVECB-UHFFFAOYSA-N 2 2 371.529 4.004 20 0 FIADLP CC[N@@H+](Cc1oc(C)nc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000685568438 1087629983 /nfs/dbraw/zinc/62/99/83/1087629983.db2.gz CMFAXYCBNYVECB-UHFFFAOYSA-N 2 2 371.529 4.004 20 0 FIADLP CC(C)[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)cc(Br)c1 ZINC000658018697 1087699683 /nfs/dbraw/zinc/69/96/83/1087699683.db2.gz FIZSSBLVDFUGHL-YOEHRIQHSA-N 2 2 366.278 4.156 20 0 FIADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H](Cn3cc[nH+]c3)c3ccc(C)cc3C)C[C@H]2C1 ZINC000424303905 1087929137 /nfs/dbraw/zinc/92/91/37/1087929137.db2.gz PQSCGJGMPGCUSO-YWQQVWADSA-N 2 2 353.510 4.034 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC(C)(c3ccccc3)CC2)CC1 ZINC000504905488 1087975649 /nfs/dbraw/zinc/97/56/49/1087975649.db2.gz JHKVOMGKDFINDQ-UHFFFAOYSA-N 2 2 358.570 4.366 20 0 FIADLP C[N@H+](Cc1ccccc1C[NH2+]Cc1nnc(C2CC2)s1)C1CCCCC1 ZINC000892654603 1088114146 /nfs/dbraw/zinc/11/41/46/1088114146.db2.gz QNALYZXGHWBUCM-UHFFFAOYSA-N 2 2 370.566 4.470 20 0 FIADLP C[N@@H+](Cc1ccccc1C[NH2+]Cc1nnc(C2CC2)s1)C1CCCCC1 ZINC000892654603 1088114164 /nfs/dbraw/zinc/11/41/64/1088114164.db2.gz QNALYZXGHWBUCM-UHFFFAOYSA-N 2 2 370.566 4.470 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H](C)c2ccccc2F)[C@@H]1c1cnn(C)c1 ZINC000434737255 1089008941 /nfs/dbraw/zinc/00/89/41/1089008941.db2.gz NRBLLZDNOIVRRS-LLGFUMIMSA-N 2 2 358.505 4.025 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H](C)c2ccccc2F)[C@@H]1c1cnn(C)c1 ZINC000434737255 1089008953 /nfs/dbraw/zinc/00/89/53/1089008953.db2.gz NRBLLZDNOIVRRS-LLGFUMIMSA-N 2 2 358.505 4.025 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H](C)c2ccccc2F)[C@@H]1c1cnn(C)c1 ZINC000434737255 1089008963 /nfs/dbraw/zinc/00/89/63/1089008963.db2.gz NRBLLZDNOIVRRS-LLGFUMIMSA-N 2 2 358.505 4.025 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H](C)c2ccccc2F)[C@@H]1c1cnn(C)c1 ZINC000434737255 1089008975 /nfs/dbraw/zinc/00/89/75/1089008975.db2.gz NRBLLZDNOIVRRS-LLGFUMIMSA-N 2 2 358.505 4.025 20 0 FIADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000434979595 1089179867 /nfs/dbraw/zinc/17/98/67/1089179867.db2.gz VCVDSXZCYIHXPF-UHFFFAOYSA-N 2 2 372.557 4.083 20 0 FIADLP FC(F)(F)c1ncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000435061082 1089249974 /nfs/dbraw/zinc/24/99/74/1089249974.db2.gz XGMQZXUPCHNEJF-UHFFFAOYSA-N 2 2 370.444 4.074 20 0 FIADLP Cc1ccc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c(-c2cnn(C)c2)c1 ZINC000549243114 1089356240 /nfs/dbraw/zinc/35/62/40/1089356240.db2.gz NMXLLXAHNAYENB-XMMPIXPASA-N 2 2 374.532 4.322 20 0 FIADLP CC[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)CC[C@H]1[NH3+] ZINC000647940040 1089472901 /nfs/dbraw/zinc/47/29/01/1089472901.db2.gz KRUKFUVLTUOGEP-SYYKKAFVSA-N 2 2 365.521 4.042 20 0 FIADLP CC[C@@H]1C[N@H+]([C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)CC[C@H]1[NH3+] ZINC000647940040 1089472915 /nfs/dbraw/zinc/47/29/15/1089472915.db2.gz KRUKFUVLTUOGEP-SYYKKAFVSA-N 2 2 365.521 4.042 20 0 FIADLP FC(F)(F)c1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435373257 1089567368 /nfs/dbraw/zinc/56/73/68/1089567368.db2.gz UPHZRLDNWMBELT-IBGZPJMESA-N 2 2 363.427 4.245 20 0 FIADLP FC(F)(F)c1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435373257 1089567379 /nfs/dbraw/zinc/56/73/79/1089567379.db2.gz UPHZRLDNWMBELT-IBGZPJMESA-N 2 2 363.427 4.245 20 0 FIADLP Cc1ncsc1C[N@@H+](Cc1cc2ccccc2s1)C[C@H]1CC[NH2+]C1 ZINC000435426129 1089645555 /nfs/dbraw/zinc/64/55/55/1089645555.db2.gz GPPANXSETRYUHZ-HNNXBMFYSA-N 2 2 357.548 4.278 20 0 FIADLP Cc1ncsc1C[N@H+](Cc1cc2ccccc2s1)C[C@H]1CC[NH2+]C1 ZINC000435426129 1089645563 /nfs/dbraw/zinc/64/55/63/1089645563.db2.gz GPPANXSETRYUHZ-HNNXBMFYSA-N 2 2 357.548 4.278 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(-c4ccccn4)nc3)C2)CC1 ZINC000425392521 1089738028 /nfs/dbraw/zinc/73/80/28/1089738028.db2.gz BGUVFRSYEUCOMM-NRFANRHFSA-N 2 2 364.537 4.088 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccn4)nc3)C2)CC1 ZINC000425392521 1089738037 /nfs/dbraw/zinc/73/80/37/1089738037.db2.gz BGUVFRSYEUCOMM-NRFANRHFSA-N 2 2 364.537 4.088 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(N(C)c3ccccc3)nc1)CCC2 ZINC000435789061 1089934401 /nfs/dbraw/zinc/93/44/01/1089934401.db2.gz VYRRCBKWEAHVRK-IBGZPJMESA-N 2 2 361.493 4.022 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000378402492 1090347389 /nfs/dbraw/zinc/34/73/89/1090347389.db2.gz LVKSEXYNQWJGJU-QGZVFWFLSA-N 2 2 357.461 4.124 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000659993731 1090377557 /nfs/dbraw/zinc/37/75/57/1090377557.db2.gz RAMIJKXAMZFEMM-RXVVDRJESA-N 2 2 360.505 4.115 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000659993731 1090377567 /nfs/dbraw/zinc/37/75/67/1090377567.db2.gz RAMIJKXAMZFEMM-RXVVDRJESA-N 2 2 360.505 4.115 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc3ccccc3n2)CC[NH+]1Cc1ccccc1 ZINC000659993731 1090377575 /nfs/dbraw/zinc/37/75/75/1090377575.db2.gz RAMIJKXAMZFEMM-RXVVDRJESA-N 2 2 360.505 4.115 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc3ccccc3n2)CC[NH+]1Cc1ccccc1 ZINC000659993731 1090377584 /nfs/dbraw/zinc/37/75/84/1090377584.db2.gz RAMIJKXAMZFEMM-RXVVDRJESA-N 2 2 360.505 4.115 20 0 FIADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000545456777 1090383497 /nfs/dbraw/zinc/38/34/97/1090383497.db2.gz VECRCXMEBXUVMR-YWZLYKJASA-N 2 2 359.901 4.070 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)cc1C ZINC000363936187 1090506562 /nfs/dbraw/zinc/50/65/62/1090506562.db2.gz DZEYWUWRYTXNGN-RDJZCZTQSA-N 2 2 351.454 4.017 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)cc1C ZINC000363936187 1090506568 /nfs/dbraw/zinc/50/65/68/1090506568.db2.gz DZEYWUWRYTXNGN-RDJZCZTQSA-N 2 2 351.454 4.017 20 0 FIADLP CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000500129082 1091055125 /nfs/dbraw/zinc/05/51/25/1091055125.db2.gz KUAPQMRYGFOFHN-HXUWFJFHSA-N 2 2 358.526 4.092 20 0 FIADLP CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000500129082 1091055132 /nfs/dbraw/zinc/05/51/32/1091055132.db2.gz KUAPQMRYGFOFHN-HXUWFJFHSA-N 2 2 358.526 4.092 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000390519707 1091163035 /nfs/dbraw/zinc/16/30/35/1091163035.db2.gz FSMVHZYGHNLXAZ-URXFXBBRSA-N 3 2 365.565 4.151 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000390519707 1091163039 /nfs/dbraw/zinc/16/30/39/1091163039.db2.gz FSMVHZYGHNLXAZ-URXFXBBRSA-N 3 2 365.565 4.151 20 0 FIADLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1OC(C)C ZINC000390548993 1091229797 /nfs/dbraw/zinc/22/97/97/1091229797.db2.gz WNKSNGILCQOFNC-OAQYLSRUSA-N 2 2 368.521 4.237 20 0 FIADLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1OC(C)C ZINC000390548993 1091229810 /nfs/dbraw/zinc/22/98/10/1091229810.db2.gz WNKSNGILCQOFNC-OAQYLSRUSA-N 2 2 368.521 4.237 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000390581136 1091288640 /nfs/dbraw/zinc/28/86/40/1091288640.db2.gz ICOWCFHTKRHJIX-XLIONFOSSA-N 2 2 354.494 4.019 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1OC ZINC000390581136 1091288655 /nfs/dbraw/zinc/28/86/55/1091288655.db2.gz ICOWCFHTKRHJIX-XLIONFOSSA-N 2 2 354.494 4.019 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3nsc4ccccc43)C2)n2c1CCCC2 ZINC000660481150 1091609419 /nfs/dbraw/zinc/60/94/19/1091609419.db2.gz JFQHQZYAYWDHQD-HNNXBMFYSA-N 2 2 352.507 4.209 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3nsc4ccccc43)C2)n2c1CCCC2 ZINC000660481150 1091609426 /nfs/dbraw/zinc/60/94/26/1091609426.db2.gz JFQHQZYAYWDHQD-HNNXBMFYSA-N 2 2 352.507 4.209 20 0 FIADLP COc1cccc(SCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000660481167 1091611276 /nfs/dbraw/zinc/61/12/76/1091611276.db2.gz JSNHGBCNEDCWPY-KRWDZBQOSA-N 2 2 371.550 4.200 20 0 FIADLP COc1cccc(SCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000660481167 1091611281 /nfs/dbraw/zinc/61/12/81/1091611281.db2.gz JSNHGBCNEDCWPY-KRWDZBQOSA-N 2 2 371.550 4.200 20 0 FIADLP Cc1[nH+]cc(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1-c1ccccc1 ZINC000512192211 1091849021 /nfs/dbraw/zinc/84/90/21/1091849021.db2.gz AGTZRPOYXZEGRU-TZIWHRDSSA-N 2 2 366.553 4.267 20 0 FIADLP Cc1[nH+]cc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1-c1ccccc1 ZINC000512192211 1091849028 /nfs/dbraw/zinc/84/90/28/1091849028.db2.gz AGTZRPOYXZEGRU-TZIWHRDSSA-N 2 2 366.553 4.267 20 0 FIADLP c1c(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)onc1-c1ccccc1 ZINC000512280124 1092002100 /nfs/dbraw/zinc/00/21/00/1092002100.db2.gz VERYYCQBDURHOY-XMMPIXPASA-N 2 2 373.500 4.440 20 0 FIADLP c1c(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)onc1-c1ccccc1 ZINC000512280124 1092002115 /nfs/dbraw/zinc/00/21/15/1092002115.db2.gz VERYYCQBDURHOY-XMMPIXPASA-N 2 2 373.500 4.440 20 0 FIADLP c1c(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)onc1-c1ccccc1 ZINC000512280124 1092002124 /nfs/dbraw/zinc/00/21/24/1092002124.db2.gz VERYYCQBDURHOY-XMMPIXPASA-N 2 2 373.500 4.440 20 0 FIADLP c1c(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)onc1-c1ccccc1 ZINC000512280124 1092002133 /nfs/dbraw/zinc/00/21/33/1092002133.db2.gz VERYYCQBDURHOY-XMMPIXPASA-N 2 2 373.500 4.440 20 0 FIADLP CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC000613998843 1092039193 /nfs/dbraw/zinc/03/91/93/1092039193.db2.gz NLLSDKHCIGUBES-UHFFFAOYSA-N 2 2 374.488 4.357 20 0 FIADLP COc1ccc([C@H]2C[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)cc1F ZINC000500566269 1092234187 /nfs/dbraw/zinc/23/41/87/1092234187.db2.gz OINQZCDQPKRYEU-SHTZXODSSA-N 2 2 357.454 4.117 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2C(C)(C)CC([NH3+])CC2(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012462 1092339788 /nfs/dbraw/zinc/33/97/88/1092339788.db2.gz ANVXJIAWGSJMRN-RMFSNUHRSA-N 3 2 357.586 4.408 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2C(C)(C)CC([NH3+])CC2(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012462 1092339797 /nfs/dbraw/zinc/33/97/97/1092339797.db2.gz ANVXJIAWGSJMRN-RMFSNUHRSA-N 3 2 357.586 4.408 20 0 FIADLP COC(=O)c1cc([C@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)oc1C ZINC000432837726 1092586369 /nfs/dbraw/zinc/58/63/69/1092586369.db2.gz VOJJXIZNYBKZJH-BQFCYCMXSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1cc([C@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)oc1C ZINC000432837726 1092586379 /nfs/dbraw/zinc/58/63/79/1092586379.db2.gz VOJJXIZNYBKZJH-BQFCYCMXSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1cc([C@H](C)[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)oc1C ZINC000432837726 1092586386 /nfs/dbraw/zinc/58/63/86/1092586386.db2.gz VOJJXIZNYBKZJH-BQFCYCMXSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1cc([C@H](C)[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)oc1C ZINC000432837726 1092586397 /nfs/dbraw/zinc/58/63/97/1092586397.db2.gz VOJJXIZNYBKZJH-BQFCYCMXSA-N 2 2 362.514 4.022 20 0 FIADLP FC(F)(F)c1cccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CCOCC2)c1 ZINC000366962788 1092692715 /nfs/dbraw/zinc/69/27/15/1092692715.db2.gz MVJCHBWHUHYAQS-SFHVURJKSA-N 2 2 367.415 4.050 20 0 FIADLP C[C@H]([NH2+]C1(C[NH2+]C2CCC(C(F)F)CC2)CCOCC1)c1ccccc1 ZINC000442784280 1092761525 /nfs/dbraw/zinc/76/15/25/1092761525.db2.gz RVDWOTMJELMGKP-IVMQYODDSA-N 2 2 366.496 4.300 20 0 FIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(OC(F)(F)F)cc1 ZINC000544348831 1092762436 /nfs/dbraw/zinc/76/24/36/1092762436.db2.gz RNHDLWNKELSSBP-UHFFFAOYSA-N 2 2 367.396 4.464 20 0 FIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(OC(F)(F)F)cc1 ZINC000544348831 1092762443 /nfs/dbraw/zinc/76/24/43/1092762443.db2.gz RNHDLWNKELSSBP-UHFFFAOYSA-N 2 2 367.396 4.464 20 0 FIADLP CSc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000442857989 1092828366 /nfs/dbraw/zinc/82/83/66/1092828366.db2.gz HHNSTSGQMGPPCT-AZUAARDMSA-N 2 2 370.562 4.350 20 0 FIADLP CSc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000442857989 1092828380 /nfs/dbraw/zinc/82/83/80/1092828380.db2.gz HHNSTSGQMGPPCT-AZUAARDMSA-N 2 2 370.562 4.350 20 0 FIADLP CCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccsc1 ZINC000443101793 1092942299 /nfs/dbraw/zinc/94/22/99/1092942299.db2.gz FHKKOHLHSITSLL-HKBOAZHASA-N 2 2 358.551 4.062 20 0 FIADLP CCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccsc1 ZINC000443101793 1092942301 /nfs/dbraw/zinc/94/23/01/1092942301.db2.gz FHKKOHLHSITSLL-HKBOAZHASA-N 2 2 358.551 4.062 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OC(F)F)cc1 ZINC000152118686 1092998078 /nfs/dbraw/zinc/99/80/78/1092998078.db2.gz KIPLNJCVXZPEJP-HNNXBMFYSA-N 2 2 357.404 4.384 20 0 FIADLP C[C@@H]([NH2+]Cc1nc2ccccc2n1C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000522034546 1093045012 /nfs/dbraw/zinc/04/50/12/1093045012.db2.gz CWKKKEJYMFONCN-QUCCMNQESA-N 2 2 374.532 4.371 20 0 FIADLP C[C@@H]([NH2+]Cc1nc2ccccc2n1C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000522034546 1093045015 /nfs/dbraw/zinc/04/50/15/1093045015.db2.gz CWKKKEJYMFONCN-QUCCMNQESA-N 2 2 374.532 4.371 20 0 FIADLP Brc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000522039019 1093047855 /nfs/dbraw/zinc/04/78/55/1093047855.db2.gz ASRWGNRIFARZJY-GDBMZVCRSA-N 2 2 360.299 4.087 20 0 FIADLP Cn1nccc1-c1ccccc1C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000509616464 1093172506 /nfs/dbraw/zinc/17/25/06/1093172506.db2.gz ILDCKFOVTCVLJY-HSZRJFAPSA-N 2 2 360.505 4.014 20 0 FIADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000474067874 1093182189 /nfs/dbraw/zinc/18/21/89/1093182189.db2.gz USJAMZCFDPDZKH-QFIPXVFZSA-N 2 2 361.489 4.452 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000433306790 1093573618 /nfs/dbraw/zinc/57/36/18/1093573618.db2.gz TYESOKGQTQKMPU-JOCHJYFZSA-N 2 2 361.489 4.174 20 0 FIADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000114478142 1093591214 /nfs/dbraw/zinc/59/12/14/1093591214.db2.gz HWZTUPBFQBYZPB-AWEZNQCLSA-N 2 2 374.941 4.100 20 0 FIADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000114478142 1093591218 /nfs/dbraw/zinc/59/12/18/1093591218.db2.gz HWZTUPBFQBYZPB-AWEZNQCLSA-N 2 2 374.941 4.100 20 0 FIADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1ccccc1Cl ZINC000512970233 1093608025 /nfs/dbraw/zinc/60/80/25/1093608025.db2.gz PLKNMLNJRFIALG-CYBMUJFWSA-N 2 2 364.839 4.114 20 0 FIADLP Cc1c(F)cccc1[C@@H](CO)[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168031587 1093637762 /nfs/dbraw/zinc/63/77/62/1093637762.db2.gz ZZNBCXFJLXSHEX-HKARXFIJSA-N 2 2 370.512 4.199 20 0 FIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000474477264 1093823782 /nfs/dbraw/zinc/82/37/82/1093823782.db2.gz RKXDCDYSINPXEQ-SJORKVTESA-N 2 2 365.477 4.171 20 0 FIADLP C[C@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158824407 1094038938 /nfs/dbraw/zinc/03/89/38/1094038938.db2.gz DWJTZZBLFYNRMQ-SBUREZEXSA-N 2 2 357.457 4.410 20 0 FIADLP CC[N@@H+](Cc1ccc(OC)c(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000513335561 1094071500 /nfs/dbraw/zinc/07/15/00/1094071500.db2.gz HYMWFIKDOCCCST-UHFFFAOYSA-N 2 2 373.928 4.482 20 0 FIADLP CC[N@H+](Cc1ccc(OC)c(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000513335561 1094071507 /nfs/dbraw/zinc/07/15/07/1094071507.db2.gz HYMWFIKDOCCCST-UHFFFAOYSA-N 2 2 373.928 4.482 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000513621988 1094241289 /nfs/dbraw/zinc/24/12/89/1094241289.db2.gz KLGKNEVAYJWHFR-UHFFFAOYSA-N 2 2 353.510 4.013 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(C)c1OC ZINC000513684406 1094275366 /nfs/dbraw/zinc/27/53/66/1094275366.db2.gz QXXBXVOCJXDYSQ-QGZVFWFLSA-N 2 2 365.477 4.108 20 0 FIADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168039917 1094480825 /nfs/dbraw/zinc/48/08/25/1094480825.db2.gz IRQKWXRKYSKLLI-FQVVGKCUSA-N 3 2 357.586 4.136 20 0 FIADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168039917 1094480826 /nfs/dbraw/zinc/48/08/26/1094480826.db2.gz IRQKWXRKYSKLLI-FQVVGKCUSA-N 3 2 357.586 4.136 20 0 FIADLP CC(C)[NH+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168039917 1094480834 /nfs/dbraw/zinc/48/08/34/1094480834.db2.gz IRQKWXRKYSKLLI-FQVVGKCUSA-N 3 2 357.586 4.136 20 0 FIADLP CC(C)[NH+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168039917 1094480838 /nfs/dbraw/zinc/48/08/38/1094480838.db2.gz IRQKWXRKYSKLLI-FQVVGKCUSA-N 3 2 357.586 4.136 20 0 FIADLP C[C@@H]1C[C@@]1([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000420946610 1095188240 /nfs/dbraw/zinc/18/82/40/1095188240.db2.gz BCIWIYHZVPGXSH-VGSWGCGISA-N 2 2 370.924 4.197 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1c(F)cccc1Cl ZINC000420951731 1095192253 /nfs/dbraw/zinc/19/22/53/1095192253.db2.gz TUDWHQYZGUCBFA-OAHLLOKOSA-N 2 2 362.876 4.162 20 0 FIADLP Brc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502308241 1095353572 /nfs/dbraw/zinc/35/35/72/1095353572.db2.gz HFQOWCASFHLVTP-MRXNPFEDSA-N 2 2 374.326 4.362 20 0 FIADLP Brc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502308241 1095353588 /nfs/dbraw/zinc/35/35/88/1095353588.db2.gz HFQOWCASFHLVTP-MRXNPFEDSA-N 2 2 374.326 4.362 20 0 FIADLP Brc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502312048 1095361696 /nfs/dbraw/zinc/36/16/96/1095361696.db2.gz PINGPZTVXDBBQZ-MRXNPFEDSA-N 2 2 374.326 4.362 20 0 FIADLP Brc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502312048 1095361711 /nfs/dbraw/zinc/36/17/11/1095361711.db2.gz PINGPZTVXDBBQZ-MRXNPFEDSA-N 2 2 374.326 4.362 20 0 FIADLP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)sc2C1 ZINC000502337300 1095373564 /nfs/dbraw/zinc/37/35/64/1095373564.db2.gz XDRQHYIXVLRCLM-CVEARBPZSA-N 2 2 370.566 4.180 20 0 FIADLP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)sc2C1 ZINC000502337300 1095373580 /nfs/dbraw/zinc/37/35/80/1095373580.db2.gz XDRQHYIXVLRCLM-CVEARBPZSA-N 2 2 370.566 4.180 20 0 FIADLP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000502345116 1095382570 /nfs/dbraw/zinc/38/25/70/1095382570.db2.gz KKBQRSCHYAWRBQ-OAHLLOKOSA-N 2 2 358.555 4.353 20 0 FIADLP CC(C)(C)c1ncc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000502345116 1095382588 /nfs/dbraw/zinc/38/25/88/1095382588.db2.gz KKBQRSCHYAWRBQ-OAHLLOKOSA-N 2 2 358.555 4.353 20 0 FIADLP Fc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2ncccc12 ZINC000502345076 1095383527 /nfs/dbraw/zinc/38/35/27/1095383527.db2.gz KCLFUTOMZXIQMQ-QGZVFWFLSA-N 2 2 364.468 4.286 20 0 FIADLP Fc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2ncccc12 ZINC000502345076 1095383544 /nfs/dbraw/zinc/38/35/44/1095383544.db2.gz KCLFUTOMZXIQMQ-QGZVFWFLSA-N 2 2 364.468 4.286 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC[N@@H+]1C ZINC000421371460 1095570570 /nfs/dbraw/zinc/57/05/70/1095570570.db2.gz XVQQWCITHDEMNA-XLIONFOSSA-N 2 2 352.526 4.238 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC[N@H+]1C ZINC000421371460 1095570588 /nfs/dbraw/zinc/57/05/88/1095570588.db2.gz XVQQWCITHDEMNA-XLIONFOSSA-N 2 2 352.526 4.238 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443991144 1095589062 /nfs/dbraw/zinc/58/90/62/1095589062.db2.gz TVZKJDFCFSIYFK-BBRMVZONSA-N 2 2 369.456 4.162 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443991144 1095589067 /nfs/dbraw/zinc/58/90/67/1095589067.db2.gz TVZKJDFCFSIYFK-BBRMVZONSA-N 2 2 369.456 4.162 20 0 FIADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cnn(C2CCCC2)c1 ZINC000502684857 1095713238 /nfs/dbraw/zinc/71/32/38/1095713238.db2.gz NXSZLIIHBMERGW-SFHVURJKSA-N 2 2 352.526 4.097 20 0 FIADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cnn(C2CCCC2)c1 ZINC000502684857 1095713246 /nfs/dbraw/zinc/71/32/46/1095713246.db2.gz NXSZLIIHBMERGW-SFHVURJKSA-N 2 2 352.526 4.097 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cnn(C2CCCC2)c1 ZINC000502699727 1095724748 /nfs/dbraw/zinc/72/47/48/1095724748.db2.gz ZKXWNPRVBSMNCD-IBGZPJMESA-N 2 2 366.553 4.356 20 0 FIADLP Cc1cc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)oc1C ZINC000502724302 1095760852 /nfs/dbraw/zinc/76/08/52/1095760852.db2.gz PFAQWIQFUBZHOV-HZPDHXFCSA-N 2 2 359.489 4.199 20 0 FIADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281952748 1095777041 /nfs/dbraw/zinc/77/70/41/1095777041.db2.gz FRFGAJNLIKLSGC-JKSUJKDBSA-N 2 2 356.514 4.446 20 0 FIADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281952748 1095777051 /nfs/dbraw/zinc/77/70/51/1095777051.db2.gz FRFGAJNLIKLSGC-JKSUJKDBSA-N 2 2 356.514 4.446 20 0 FIADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)c1ccccc1-n1ccnn1)c1ccccc1 ZINC000513761440 1095957025 /nfs/dbraw/zinc/95/70/25/1095957025.db2.gz NBHZVVHLUVECJV-XMSQKQJNSA-N 2 2 363.509 4.001 20 0 FIADLP CO[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000272503098 1096186520 /nfs/dbraw/zinc/18/65/20/1096186520.db2.gz DZOUTSMZDSYZPH-MRXNPFEDSA-N 2 2 364.839 4.034 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000272649895 1096197752 /nfs/dbraw/zinc/19/77/52/1096197752.db2.gz DTHQXIIFGANLSO-PKOBYXMFSA-N 2 2 370.459 4.161 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1C ZINC000272830137 1096216255 /nfs/dbraw/zinc/21/62/55/1096216255.db2.gz FEOGHPLLOIVZLA-QZTJIDSGSA-N 2 2 353.510 4.275 20 0 FIADLP Fc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)cc1 ZINC000273557042 1096273744 /nfs/dbraw/zinc/27/37/44/1096273744.db2.gz ZSBHLLXQXDEWQK-TZIWHRDSSA-N 2 2 351.425 4.021 20 0 FIADLP C[N@H+](Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C)C1CC[NH2+]CC1 ZINC000414660214 1096365223 /nfs/dbraw/zinc/36/52/23/1096365223.db2.gz USVFBNRTSXKUNL-UHFFFAOYSA-N 2 2 360.933 4.007 20 0 FIADLP C[N@@H+](Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C)C1CC[NH2+]CC1 ZINC000414660214 1096365231 /nfs/dbraw/zinc/36/52/31/1096365231.db2.gz USVFBNRTSXKUNL-UHFFFAOYSA-N 2 2 360.933 4.007 20 0 FIADLP COCC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503428742 1096395105 /nfs/dbraw/zinc/39/51/05/1096395105.db2.gz HWXRJOBXUYDVNE-TZIWHRDSSA-N 2 2 353.510 4.177 20 0 FIADLP COCC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503428742 1096395112 /nfs/dbraw/zinc/39/51/12/1096395112.db2.gz HWXRJOBXUYDVNE-TZIWHRDSSA-N 2 2 353.510 4.177 20 0 FIADLP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC1CCCC1 ZINC000422703113 1096457994 /nfs/dbraw/zinc/45/79/94/1096457994.db2.gz HCQLXOQBNWCBQF-WOJBJXKFSA-N 2 2 352.478 4.251 20 0 FIADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)c2ccccc21 ZINC000422722838 1096471855 /nfs/dbraw/zinc/47/18/55/1096471855.db2.gz YYFWVQGNRAGPDX-FGZHOGPDSA-N 2 2 363.505 4.440 20 0 FIADLP c1sc(CCc2ccccc2)nc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422851127 1096504347 /nfs/dbraw/zinc/50/43/47/1096504347.db2.gz OLIFPPPKAKLFRH-QHAWAJNXSA-N 2 2 369.578 4.329 20 0 FIADLP CC(C)Oc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c(C(F)(F)F)c1 ZINC000422898163 1096517854 /nfs/dbraw/zinc/51/78/54/1096517854.db2.gz DLVMFPSPXSTURD-GFCCVEGCSA-N 2 2 353.388 4.151 20 0 FIADLP c1coc([C@@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc2)c1 ZINC000422965910 1096533957 /nfs/dbraw/zinc/53/39/57/1096533957.db2.gz QBWPMPZGLKZFIL-VJBMBRPKSA-N 2 2 360.457 4.215 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000423011280 1096549179 /nfs/dbraw/zinc/54/91/79/1096549179.db2.gz INBKEWAKUFEZBS-NMNUPHIUSA-N 2 2 360.505 4.075 20 0 FIADLP CSc1cccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccc(F)c(F)c2)c1 ZINC000423217712 1096620447 /nfs/dbraw/zinc/62/04/47/1096620447.db2.gz UKTAZMRJPGZTHW-VLIAUNLRSA-N 2 2 362.489 4.365 20 0 FIADLP Brc1ccccc1[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000423220374 1096620643 /nfs/dbraw/zinc/62/06/43/1096620643.db2.gz YHPXCCNJQQXFPZ-DNVCBOLYSA-N 2 2 359.311 4.128 20 0 FIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423500562 1096699695 /nfs/dbraw/zinc/69/96/95/1096699695.db2.gz KLZCLZJCAFSUNR-NPFVIJTESA-N 2 2 356.485 4.145 20 0 FIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000423505643 1096701097 /nfs/dbraw/zinc/70/10/97/1096701097.db2.gz OPSSLONOJPBQLI-IERDGZPVSA-N 2 2 368.525 4.130 20 0 FIADLP C[NH+](C)Cc1ccc(-c2noc([C@H](c3cccc(Cl)c3)[NH+](C)C)n2)cc1 ZINC000504230739 1096714227 /nfs/dbraw/zinc/71/42/27/1096714227.db2.gz VFZVHYMADJCZRX-SFHVURJKSA-N 2 2 370.884 4.103 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245659145 1098559732 /nfs/dbraw/zinc/55/97/32/1098559732.db2.gz FFYUUPVNAWSSOJ-KOUNCHBCSA-N 3 2 355.570 4.035 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245659145 1098559742 /nfs/dbraw/zinc/55/97/42/1098559742.db2.gz FFYUUPVNAWSSOJ-KOUNCHBCSA-N 3 2 355.570 4.035 20 0 FIADLP CN1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000514694953 1098560295 /nfs/dbraw/zinc/56/02/95/1098560295.db2.gz UEMSTECGPXJRKX-LEWJYISDSA-N 2 2 366.896 4.061 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245659144 1098560377 /nfs/dbraw/zinc/56/03/77/1098560377.db2.gz FFYUUPVNAWSSOJ-DKUWSORSSA-N 3 2 355.570 4.035 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245659144 1098560385 /nfs/dbraw/zinc/56/03/85/1098560385.db2.gz FFYUUPVNAWSSOJ-DKUWSORSSA-N 3 2 355.570 4.035 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccn4)nc3)C2)n2c1CCCC2 ZINC000425448343 1098656063 /nfs/dbraw/zinc/65/60/63/1098656063.db2.gz URBUIHLNTWURQZ-IBGZPJMESA-N 2 2 373.504 4.056 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3ccc(-c4ccccn4)nc3)C2)n2c1CCCC2 ZINC000425448343 1098656080 /nfs/dbraw/zinc/65/60/80/1098656080.db2.gz URBUIHLNTWURQZ-IBGZPJMESA-N 2 2 373.504 4.056 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436303237 1098915523 /nfs/dbraw/zinc/91/55/23/1098915523.db2.gz WLSYLMQSWGBFDJ-LVOPCWDJSA-N 2 2 369.940 4.481 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436303237 1098915528 /nfs/dbraw/zinc/91/55/28/1098915528.db2.gz WLSYLMQSWGBFDJ-LVOPCWDJSA-N 2 2 369.940 4.481 20 0 FIADLP O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000533427711 1099049003 /nfs/dbraw/zinc/04/90/03/1099049003.db2.gz XJENBKMPTLMXLK-IBGZPJMESA-N 2 2 363.436 4.106 20 0 FIADLP O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000533427711 1099049015 /nfs/dbraw/zinc/04/90/15/1099049015.db2.gz XJENBKMPTLMXLK-IBGZPJMESA-N 2 2 363.436 4.106 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC000436497393 1099058326 /nfs/dbraw/zinc/05/83/26/1099058326.db2.gz RZZHSMNSOGJSTB-SFHVURJKSA-N 2 2 366.509 4.135 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC000436497393 1099058337 /nfs/dbraw/zinc/05/83/37/1099058337.db2.gz RZZHSMNSOGJSTB-SFHVURJKSA-N 2 2 366.509 4.135 20 0 FIADLP COc1ncc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1Cl ZINC000533557794 1099169838 /nfs/dbraw/zinc/16/98/38/1099169838.db2.gz UIYBRZIRYATPBN-APWZRJJASA-N 2 2 373.928 4.229 20 0 FIADLP COc1ncc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1Cl ZINC000533557794 1099169842 /nfs/dbraw/zinc/16/98/42/1099169842.db2.gz UIYBRZIRYATPBN-APWZRJJASA-N 2 2 373.928 4.229 20 0 FIADLP COc1ncc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1Cl ZINC000533557794 1099169850 /nfs/dbraw/zinc/16/98/50/1099169850.db2.gz UIYBRZIRYATPBN-APWZRJJASA-N 2 2 373.928 4.229 20 0 FIADLP COc1ncc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1Cl ZINC000533557794 1099169855 /nfs/dbraw/zinc/16/98/55/1099169855.db2.gz UIYBRZIRYATPBN-APWZRJJASA-N 2 2 373.928 4.229 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1F ZINC000162280972 1099674195 /nfs/dbraw/zinc/67/41/95/1099674195.db2.gz YGFPYXUKICUNEV-MRXNPFEDSA-N 2 2 374.475 4.331 20 0 FIADLP c1cc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cs1 ZINC000437605982 1100029923 /nfs/dbraw/zinc/02/99/23/1100029923.db2.gz SZTGIGAIHITOGR-QGZVFWFLSA-N 2 2 358.555 4.226 20 0 FIADLP c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cs1 ZINC000437605982 1100029936 /nfs/dbraw/zinc/02/99/36/1100029936.db2.gz SZTGIGAIHITOGR-QGZVFWFLSA-N 2 2 358.555 4.226 20 0 FIADLP CCCOc1c(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OCC ZINC000536663134 1100137048 /nfs/dbraw/zinc/13/70/48/1100137048.db2.gz YCXSXGBSFPFGJX-WBVHZDCISA-N 2 2 368.949 4.442 20 0 FIADLP CCCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OCC ZINC000536663134 1100137060 /nfs/dbraw/zinc/13/70/60/1100137060.db2.gz YCXSXGBSFPFGJX-WBVHZDCISA-N 2 2 368.949 4.442 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000536663134 1100137069 /nfs/dbraw/zinc/13/70/69/1100137069.db2.gz YCXSXGBSFPFGJX-WBVHZDCISA-N 2 2 368.949 4.442 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000536663134 1100137076 /nfs/dbraw/zinc/13/70/76/1100137076.db2.gz YCXSXGBSFPFGJX-WBVHZDCISA-N 2 2 368.949 4.442 20 0 FIADLP CC[N@H+](Cc1cccc(O)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000536672841 1100158676 /nfs/dbraw/zinc/15/86/76/1100158676.db2.gz SVOHBKJSLJFFLU-UHFFFAOYSA-N 2 2 368.525 4.105 20 0 FIADLP CC[N@@H+](Cc1cccc(O)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000536672841 1100158680 /nfs/dbraw/zinc/15/86/80/1100158680.db2.gz SVOHBKJSLJFFLU-UHFFFAOYSA-N 2 2 368.525 4.105 20 0 FIADLP COc1ccc(C[N@H+](CCc2c[nH+]cn2C)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000459461511 1100204760 /nfs/dbraw/zinc/20/47/60/1100204760.db2.gz GDRYNQNAAPZFFJ-PXNSSMCTSA-N 2 2 371.525 4.061 20 0 FIADLP COc1ccc(C[N@@H+](CCc2c[nH+]cn2C)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000459461511 1100204766 /nfs/dbraw/zinc/20/47/66/1100204766.db2.gz GDRYNQNAAPZFFJ-PXNSSMCTSA-N 2 2 371.525 4.061 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379644362 1100252887 /nfs/dbraw/zinc/25/28/87/1100252887.db2.gz CCUOOMOEUDJWLK-YKSBVNFPSA-N 2 2 374.532 4.074 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000379644362 1100252898 /nfs/dbraw/zinc/25/28/98/1100252898.db2.gz CCUOOMOEUDJWLK-YKSBVNFPSA-N 2 2 374.532 4.074 20 0 FIADLP Clc1ccc(Cl)c(-c2csc(C[NH2+][C@H]3CCC[NH2+]CC3)n2)c1 ZINC000666856399 1100299125 /nfs/dbraw/zinc/29/91/25/1100299125.db2.gz GOJZHRAEAVYKJJ-LBPRGKRZSA-N 2 2 356.322 4.349 20 0 FIADLP COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000536846246 1100359745 /nfs/dbraw/zinc/35/97/45/1100359745.db2.gz RFQFWTZHIXGWFF-GSHUGGBRSA-N 2 2 365.477 4.308 20 0 FIADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2nc3c(s2)CCC3)CC1 ZINC000459643480 1100384126 /nfs/dbraw/zinc/38/41/26/1100384126.db2.gz CRWODCNDUVXGDR-SJORKVTESA-N 2 2 369.578 4.378 20 0 FIADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414940909 1100858018 /nfs/dbraw/zinc/85/80/18/1100858018.db2.gz LAZQGQDNFXMZDT-QMHKHESXSA-N 2 2 358.489 4.327 20 0 FIADLP Clc1cccc(-c2n[nH]cc2C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000506340549 1100887819 /nfs/dbraw/zinc/88/78/19/1100887819.db2.gz NEQVZAWVEDCKPW-UHFFFAOYSA-N 2 2 358.917 4.180 20 0 FIADLP c1cc(COc2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc2)ccn1 ZINC000506372916 1100934576 /nfs/dbraw/zinc/93/45/76/1100934576.db2.gz YGSHSQQYRASMMV-UHFFFAOYSA-N 2 2 365.521 4.111 20 0 FIADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000438826387 1100948202 /nfs/dbraw/zinc/94/82/02/1100948202.db2.gz NCJQRSVUOBUDJZ-UHFFFAOYSA-N 3 2 374.532 4.405 20 0 FIADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000438826387 1100948210 /nfs/dbraw/zinc/94/82/10/1100948210.db2.gz NCJQRSVUOBUDJZ-UHFFFAOYSA-N 3 2 374.532 4.405 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1OCCc2sccc21 ZINC000426311654 1101243987 /nfs/dbraw/zinc/24/39/87/1101243987.db2.gz RAGXJYKMEYDWCB-MDOVXXIYSA-N 2 2 353.491 4.287 20 0 FIADLP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000426324896 1101260756 /nfs/dbraw/zinc/26/07/56/1101260756.db2.gz GVCASYNKBHFADY-NZQKXSOJSA-N 2 2 365.565 4.476 20 0 FIADLP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000426324896 1101260762 /nfs/dbraw/zinc/26/07/62/1101260762.db2.gz GVCASYNKBHFADY-NZQKXSOJSA-N 2 2 365.565 4.476 20 0 FIADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)Cc3cccc4[nH]ccc43)sc2C1 ZINC000426385166 1101436228 /nfs/dbraw/zinc/43/62/28/1101436228.db2.gz LOSPKAFYLVRJAL-UHFFFAOYSA-N 2 2 354.523 4.023 20 0 FIADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)Cc3cccc4[nH]ccc43)sc2C1 ZINC000426385166 1101436244 /nfs/dbraw/zinc/43/62/44/1101436244.db2.gz LOSPKAFYLVRJAL-UHFFFAOYSA-N 2 2 354.523 4.023 20 0 FIADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)Cc3cccc4[nH]ccc43)sc2C1 ZINC000426385166 1101436252 /nfs/dbraw/zinc/43/62/52/1101436252.db2.gz LOSPKAFYLVRJAL-UHFFFAOYSA-N 2 2 354.523 4.023 20 0 FIADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)Cc3cccc4[nH]ccc43)sc2C1 ZINC000426385166 1101436260 /nfs/dbraw/zinc/43/62/60/1101436260.db2.gz LOSPKAFYLVRJAL-UHFFFAOYSA-N 2 2 354.523 4.023 20 0 FIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(Cl)c(N)c(Cl)c1 ZINC000760155655 1101454677 /nfs/dbraw/zinc/45/46/77/1101454677.db2.gz HARHGJMNQDRZJP-NSHDSACASA-N 2 2 353.297 4.002 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666112543 1101600146 /nfs/dbraw/zinc/60/01/46/1101600146.db2.gz UBYZXNBZHVMNTD-UZLBHIALSA-N 2 2 369.940 4.408 20 0 FIADLP Cc1cc([C@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)C2CC2)ccc1F ZINC000537455586 1101817176 /nfs/dbraw/zinc/81/71/76/1101817176.db2.gz GHSWLTOOYHQYOO-DENIHFKCSA-N 2 2 368.500 4.233 20 0 FIADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@H](C)Cc1ccc(Cl)cc1)CC2 ZINC001168181652 1102066975 /nfs/dbraw/zinc/06/69/75/1102066975.db2.gz GHLLHKRXMOLUJF-MRXNPFEDSA-N 2 2 374.960 4.168 20 0 FIADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@H](C)Cc1ccc(Cl)cc1)CC2 ZINC001168181652 1102066990 /nfs/dbraw/zinc/06/69/90/1102066990.db2.gz GHLLHKRXMOLUJF-MRXNPFEDSA-N 2 2 374.960 4.168 20 0 FIADLP COc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2Cl)cc1OC ZINC000643465566 1102131545 /nfs/dbraw/zinc/13/15/45/1102131545.db2.gz WFBPJWJPWJELIK-KKSFZXQISA-N 2 2 374.912 4.178 20 0 FIADLP Fc1cccc(C(F)(F)F)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167966692 1102227426 /nfs/dbraw/zinc/22/74/26/1102227426.db2.gz ZLNTWVMVNUKJHG-GOOCMWNKSA-N 2 2 356.407 4.340 20 0 FIADLP Fc1cccc(C(F)(F)F)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966692 1102227430 /nfs/dbraw/zinc/22/74/30/1102227430.db2.gz ZLNTWVMVNUKJHG-GOOCMWNKSA-N 2 2 356.407 4.340 20 0 FIADLP Cc1cccn2c(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cnc12 ZINC000537630377 1102228016 /nfs/dbraw/zinc/22/80/16/1102228016.db2.gz RBLSZJJJMXWPEC-PZJWPPBQSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccn2c(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cnc12 ZINC000537630377 1102228022 /nfs/dbraw/zinc/22/80/22/1102228022.db2.gz RBLSZJJJMXWPEC-PZJWPPBQSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccn2c(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cnc12 ZINC000537630377 1102228031 /nfs/dbraw/zinc/22/80/31/1102228031.db2.gz RBLSZJJJMXWPEC-PZJWPPBQSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccn2c(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cnc12 ZINC000537630377 1102228037 /nfs/dbraw/zinc/22/80/37/1102228037.db2.gz RBLSZJJJMXWPEC-PZJWPPBQSA-N 2 2 362.521 4.128 20 0 FIADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000537630879 1102255306 /nfs/dbraw/zinc/25/53/06/1102255306.db2.gz GKTYGKUMKXUPTB-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000537630879 1102255315 /nfs/dbraw/zinc/25/53/15/1102255315.db2.gz GKTYGKUMKXUPTB-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000537630879 1102255329 /nfs/dbraw/zinc/25/53/29/1102255329.db2.gz GKTYGKUMKXUPTB-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000537630879 1102255342 /nfs/dbraw/zinc/25/53/42/1102255342.db2.gz GKTYGKUMKXUPTB-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP Cc1cccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000120812761 1102269469 /nfs/dbraw/zinc/26/94/69/1102269469.db2.gz CIPKNIXATNSWMB-UGKGYDQZSA-N 2 2 351.538 4.168 20 0 FIADLP Cc1cccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000120812761 1102269482 /nfs/dbraw/zinc/26/94/82/1102269482.db2.gz CIPKNIXATNSWMB-UGKGYDQZSA-N 2 2 351.538 4.168 20 0 FIADLP CCC[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccsc1 ZINC000187672628 1102301043 /nfs/dbraw/zinc/30/10/43/1102301043.db2.gz NBAUXDWOZRRWGI-FQEVSTJZSA-N 2 2 374.550 4.090 20 0 FIADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000532448902 1102337463 /nfs/dbraw/zinc/33/74/63/1102337463.db2.gz OKSWQVYLEOQVFX-INIZCTEOSA-N 2 2 354.523 4.370 20 0 FIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000121349853 1102385862 /nfs/dbraw/zinc/38/58/62/1102385862.db2.gz MMFQYXDDCBDSNU-AWEZNQCLSA-N 2 2 365.399 4.300 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)CC1 ZINC000532512169 1102446602 /nfs/dbraw/zinc/44/66/02/1102446602.db2.gz LNCYOSOBGQBACG-HXUWFJFHSA-N 2 2 364.537 4.088 20 0 FIADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)CC1 ZINC000532512169 1102446606 /nfs/dbraw/zinc/44/66/06/1102446606.db2.gz LNCYOSOBGQBACG-HXUWFJFHSA-N 2 2 364.537 4.088 20 0 FIADLP c1cn(Cc2cccc(C[NH2+][C@H]3CCCOc4cc5c(cc43)CCC5)c2)c[nH+]1 ZINC000121877674 1102465901 /nfs/dbraw/zinc/46/59/01/1102465901.db2.gz ZEQDOOGXNHOUPP-QHCPKHFHSA-N 2 2 373.500 4.424 20 0 FIADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000061003050 1102614176 /nfs/dbraw/zinc/61/41/76/1102614176.db2.gz HOFFNKFJJCTBSV-UHFFFAOYSA-N 2 2 371.488 4.224 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)cn1 ZINC000126510085 1102707659 /nfs/dbraw/zinc/70/76/59/1102707659.db2.gz HXDIVYOXDKAZDO-QGZVFWFLSA-N 2 2 369.472 4.489 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000123045171 1102757538 /nfs/dbraw/zinc/75/75/38/1102757538.db2.gz RZFVXYRDCNGSHV-IBGZPJMESA-N 3 2 360.505 4.319 20 0 FIADLP C[C@@H](CCc1ccccc1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000237334988 1102844485 /nfs/dbraw/zinc/84/44/85/1102844485.db2.gz QTSYSKXIIQKWJA-IBGZPJMESA-N 2 2 351.538 4.332 20 0 FIADLP Cc1ccc2nc(C[NH2+]Cc3ccccc3C[N@H+](C)Cc3ccco3)cn2c1 ZINC000551184437 1102958281 /nfs/dbraw/zinc/95/82/81/1102958281.db2.gz BZJNYLGAIYYCOH-UHFFFAOYSA-N 2 2 374.488 4.158 20 0 FIADLP Cc1ccc2nc(C[NH2+]Cc3ccccc3C[N@@H+](C)Cc3ccco3)cn2c1 ZINC000551184437 1102958284 /nfs/dbraw/zinc/95/82/84/1102958284.db2.gz BZJNYLGAIYYCOH-UHFFFAOYSA-N 2 2 374.488 4.158 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000551265715 1103025337 /nfs/dbraw/zinc/02/53/37/1103025337.db2.gz YTCOQDHPTBJQHU-DYESRHJHSA-N 2 2 365.546 4.339 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000551265715 1103025351 /nfs/dbraw/zinc/02/53/51/1103025351.db2.gz YTCOQDHPTBJQHU-DYESRHJHSA-N 2 2 365.546 4.339 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cn1 ZINC000551394634 1103177273 /nfs/dbraw/zinc/17/72/73/1103177273.db2.gz KHSLHNBYJBHNME-DNVCBOLYSA-N 2 2 363.427 4.101 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cn1 ZINC000551394634 1103177278 /nfs/dbraw/zinc/17/72/78/1103177278.db2.gz KHSLHNBYJBHNME-DNVCBOLYSA-N 2 2 363.427 4.101 20 0 FIADLP c1cc([C@H]2CCC[NH+]2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cs1 ZINC000551694060 1103520476 /nfs/dbraw/zinc/52/04/76/1103520476.db2.gz MEHWZFHOXSPPQN-LEWJYISDSA-N 2 2 356.535 4.176 20 0 FIADLP c1cc([C@H]2CCC[NH+]2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000551694060 1103520484 /nfs/dbraw/zinc/52/04/84/1103520484.db2.gz MEHWZFHOXSPPQN-LEWJYISDSA-N 2 2 356.535 4.176 20 0 FIADLP c1cc([C@H]2CCC[N@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cs1 ZINC000551694060 1103520499 /nfs/dbraw/zinc/52/04/99/1103520499.db2.gz MEHWZFHOXSPPQN-LEWJYISDSA-N 2 2 356.535 4.176 20 0 FIADLP c1cc([C@H]2CCC[N@@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cs1 ZINC000551694060 1103520511 /nfs/dbraw/zinc/52/05/11/1103520511.db2.gz MEHWZFHOXSPPQN-LEWJYISDSA-N 2 2 356.535 4.176 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000551750647 1103606237 /nfs/dbraw/zinc/60/62/37/1103606237.db2.gz SHQSDMRVLNBMBJ-UHFFFAOYSA-N 2 2 350.441 4.037 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000519831526 1103887348 /nfs/dbraw/zinc/88/73/48/1103887348.db2.gz XQEXVSVSSIKGQA-PKOBYXMFSA-N 2 2 357.542 4.134 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000519831526 1103887360 /nfs/dbraw/zinc/88/73/60/1103887360.db2.gz XQEXVSVSSIKGQA-PKOBYXMFSA-N 2 2 357.542 4.134 20 0 FIADLP c1[nH+]c(-c2cccc(NC3CC[NH+](CC4CC4)CC3)c2)n2c1CCCC2 ZINC000520331628 1104270619 /nfs/dbraw/zinc/27/06/19/1104270619.db2.gz QSATUPYQKUFKAB-UHFFFAOYSA-N 2 2 350.510 4.173 20 0 FIADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441409133 1104336977 /nfs/dbraw/zinc/33/69/77/1104336977.db2.gz NODMPYDPJDFFCX-HNAYVOBHSA-N 2 2 357.523 4.160 20 0 FIADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441409133 1104336985 /nfs/dbraw/zinc/33/69/85/1104336985.db2.gz NODMPYDPJDFFCX-HNAYVOBHSA-N 2 2 357.523 4.160 20 0 FIADLP Cc1oc(-c2ccsc2)nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441409133 1104336993 /nfs/dbraw/zinc/33/69/93/1104336993.db2.gz NODMPYDPJDFFCX-HNAYVOBHSA-N 2 2 357.523 4.160 20 0 FIADLP Cc1oc(-c2ccsc2)nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441409133 1104337006 /nfs/dbraw/zinc/33/70/06/1104337006.db2.gz NODMPYDPJDFFCX-HNAYVOBHSA-N 2 2 357.523 4.160 20 0 FIADLP Clc1ccc(-c2cc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)on2)cc1 ZINC000536368832 1104827470 /nfs/dbraw/zinc/82/74/70/1104827470.db2.gz ICSBRWFQQFVXDH-UHFFFAOYSA-N 2 2 368.868 4.467 20 0 FIADLP c1cn(-c2ccccc2-c2noc([C@@H]3[NH2+]CCC[C@@H]3c3ccccc3)n2)c[nH+]1 ZINC001211870872 1105054352 /nfs/dbraw/zinc/05/43/52/1105054352.db2.gz XMEQRGYTBGHMDJ-YLJYHZDGSA-N 2 2 371.444 4.131 20 0 FIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000536470903 1105154240 /nfs/dbraw/zinc/15/42/40/1105154240.db2.gz NULAEMZVAJQXQA-UHFFFAOYSA-N 2 2 371.488 4.258 20 0 FIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000536470903 1105154246 /nfs/dbraw/zinc/15/42/46/1105154246.db2.gz NULAEMZVAJQXQA-UHFFFAOYSA-N 2 2 371.488 4.258 20 0 FIADLP COc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)ccc1SC ZINC000665250303 1105333852 /nfs/dbraw/zinc/33/38/52/1105333852.db2.gz NOIGCUQKRSVCIG-KFKAGJAMSA-N 2 2 356.535 4.213 20 0 FIADLP CC(C)Oc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000475349757 1106740965 /nfs/dbraw/zinc/74/09/65/1106740965.db2.gz ILMOTZSDDZYARQ-UHFFFAOYSA-N 2 2 370.459 4.369 20 0 FIADLP C[C@@H](CCc1ccsc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475358381 1106756366 /nfs/dbraw/zinc/75/63/66/1106756366.db2.gz NCWHTONCQXSZQE-IGEOTXOUSA-N 2 2 360.489 4.464 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3ccccc3OC3CC3)C2)n2c1CCCC2 ZINC000450924888 1106819615 /nfs/dbraw/zinc/81/96/15/1106819615.db2.gz HHJGQOUZMWVFDQ-GOSISDBHSA-N 2 2 351.494 4.140 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3ccccc3OC3CC3)C2)n2c1CCCC2 ZINC000450924888 1106819633 /nfs/dbraw/zinc/81/96/33/1106819633.db2.gz HHJGQOUZMWVFDQ-GOSISDBHSA-N 2 2 351.494 4.140 20 0 FIADLP CCC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000301483225 1107045073 /nfs/dbraw/zinc/04/50/73/1107045073.db2.gz XTEJJAXEHOMTQR-AWEZNQCLSA-N 2 2 362.315 4.165 20 0 FIADLP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000301483225 1107045088 /nfs/dbraw/zinc/04/50/88/1107045088.db2.gz XTEJJAXEHOMTQR-AWEZNQCLSA-N 2 2 362.315 4.165 20 0 FIADLP Cc1cc(NCc2cccc(C[NH+]3CCOCC3)c2)c2cc(F)ccc2[nH+]1 ZINC000301653393 1107098969 /nfs/dbraw/zinc/09/89/69/1107098969.db2.gz HCVFBAWELKQLHY-UHFFFAOYSA-N 2 2 365.452 4.127 20 0 FIADLP Cc1cc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)nc(C(C)C)[nH+]1 ZINC000301971912 1107233888 /nfs/dbraw/zinc/23/38/88/1107233888.db2.gz GVUNZFLMZOTMBY-UHFFFAOYSA-N 2 2 353.514 4.046 20 0 FIADLP Cc1[nH+]c2ccccc2c(N2CC[NH+]([C@H](C)c3nccs3)CC2)c1C ZINC000302180783 1107329465 /nfs/dbraw/zinc/32/94/65/1107329465.db2.gz DYQPUHGUINNDHX-MRXNPFEDSA-N 2 2 352.507 4.191 20 0 FIADLP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000302210237 1107341274 /nfs/dbraw/zinc/34/12/74/1107341274.db2.gz YSEPMVTYPMWUDC-MRXNPFEDSA-N 2 2 366.534 4.445 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cn1 ZINC000475510253 1107603378 /nfs/dbraw/zinc/60/33/78/1107603378.db2.gz NDSATTVRESSIHI-OAHLLOKOSA-N 2 2 374.326 4.159 20 0 FIADLP c1cn(C2CC[NH+](CCOc3ccc(Oc4ccccc4)cc3)CC2)c[nH+]1 ZINC000531188738 1107619801 /nfs/dbraw/zinc/61/98/01/1107619801.db2.gz MGWWZCQGOQTBHL-UHFFFAOYSA-N 2 2 363.461 4.391 20 0 FIADLP Cc1ccc(-n2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000531582209 1107999048 /nfs/dbraw/zinc/99/90/48/1107999048.db2.gz JQPALXIEXJTOLB-PKOBYXMFSA-N 2 2 354.542 4.051 20 0 FIADLP Cc1ccc(-n2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000531582209 1107999050 /nfs/dbraw/zinc/99/90/50/1107999050.db2.gz JQPALXIEXJTOLB-PKOBYXMFSA-N 2 2 354.542 4.051 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl)CCC2 ZINC000531733137 1108103936 /nfs/dbraw/zinc/10/39/36/1108103936.db2.gz PLNOHRWOLOHHMQ-GDBMZVCRSA-N 2 2 374.916 4.038 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1)CCC2 ZINC000453113218 1108181001 /nfs/dbraw/zinc/18/10/01/1108181001.db2.gz DYXWIHZNNXHKPL-DFQSSKMNSA-N 2 2 373.928 4.102 20 0 FIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000453210223 1108279455 /nfs/dbraw/zinc/27/94/55/1108279455.db2.gz MHNPTZJGSPPNBB-RTBURBONSA-N 2 2 369.509 4.025 20 0 FIADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000453210223 1108279467 /nfs/dbraw/zinc/27/94/67/1108279467.db2.gz MHNPTZJGSPPNBB-RTBURBONSA-N 2 2 369.509 4.025 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000453222719 1108294946 /nfs/dbraw/zinc/29/49/46/1108294946.db2.gz ANSUHQHMVOZXEN-NPFVIJTESA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000453222719 1108294959 /nfs/dbraw/zinc/29/49/59/1108294959.db2.gz ANSUHQHMVOZXEN-NPFVIJTESA-N 2 2 353.485 4.098 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)cc1OC ZINC000453227565 1108298288 /nfs/dbraw/zinc/29/82/88/1108298288.db2.gz FVCYMMCFFLNMJL-CQSZACIVSA-N 2 2 371.868 4.394 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](CCC(C)C)C3CC3)CC2)cc1 ZINC000453330331 1108386221 /nfs/dbraw/zinc/38/62/21/1108386221.db2.gz SHZJHMZLFXFGBF-QHCPKHFHSA-N 2 2 371.569 4.414 20 0 FIADLP CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453322569 1108414249 /nfs/dbraw/zinc/41/42/49/1108414249.db2.gz IRYZIXQCICIEJO-UGKGYDQZSA-N 2 2 357.542 4.168 20 0 FIADLP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000531962048 1108456379 /nfs/dbraw/zinc/45/63/79/1108456379.db2.gz QCQHHEJVPZZQHA-FCEUIQTBSA-N 2 2 367.537 4.150 20 0 FIADLP Cc1ccc([C@H](CN[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000531962048 1108456388 /nfs/dbraw/zinc/45/63/88/1108456388.db2.gz QCQHHEJVPZZQHA-FCEUIQTBSA-N 2 2 367.537 4.150 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1sccc1Br)CCC2 ZINC000531988244 1108471191 /nfs/dbraw/zinc/47/11/91/1108471191.db2.gz QGAQIHGHWUROIM-VXGBXAGGSA-N 2 2 354.317 4.244 20 0 FIADLP Cc1cc(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000523872953 1108622836 /nfs/dbraw/zinc/62/28/36/1108622836.db2.gz WHVJFNSKVIJLTI-KRWDZBQOSA-N 2 2 350.510 4.071 20 0 FIADLP Cc1cc(NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000523872953 1108622839 /nfs/dbraw/zinc/62/28/39/1108622839.db2.gz WHVJFNSKVIJLTI-KRWDZBQOSA-N 2 2 350.510 4.071 20 0 FIADLP C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532249676 1108728246 /nfs/dbraw/zinc/72/82/46/1108728246.db2.gz ZIHSCAQPCLNQGH-HRAATJIYSA-N 2 2 368.912 4.479 20 0 FIADLP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000360077271 1108835793 /nfs/dbraw/zinc/83/57/93/1108835793.db2.gz BSUBAMZAXDXGCP-UONOGXRCSA-N 2 2 363.889 4.090 20 0 FIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000524307221 1108959184 /nfs/dbraw/zinc/95/91/84/1108959184.db2.gz AOIBTNWJTHTAPE-GFCCVEGCSA-N 2 2 366.412 4.204 20 0 FIADLP Clc1ccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000524596480 1109091504 /nfs/dbraw/zinc/09/15/04/1109091504.db2.gz FZCPKLHYXBDIHE-MRXNPFEDSA-N 2 2 357.325 4.323 20 0 FIADLP Clc1ccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000524596480 1109091507 /nfs/dbraw/zinc/09/15/07/1109091507.db2.gz FZCPKLHYXBDIHE-MRXNPFEDSA-N 2 2 357.325 4.323 20 0 FIADLP Clc1ccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000524596479 1109091570 /nfs/dbraw/zinc/09/15/70/1109091570.db2.gz FZCPKLHYXBDIHE-INIZCTEOSA-N 2 2 357.325 4.323 20 0 FIADLP Clc1ccc(OCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000524596479 1109091576 /nfs/dbraw/zinc/09/15/76/1109091576.db2.gz FZCPKLHYXBDIHE-INIZCTEOSA-N 2 2 357.325 4.323 20 0 FIADLP O[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000524945339 1109216934 /nfs/dbraw/zinc/21/69/34/1109216934.db2.gz CBNAEYHOLVACSX-RUZDIDTESA-N 2 2 372.512 4.080 20 0 FIADLP O[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000524945339 1109216938 /nfs/dbraw/zinc/21/69/38/1109216938.db2.gz CBNAEYHOLVACSX-RUZDIDTESA-N 2 2 372.512 4.080 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1)CCC2 ZINC000525181639 1109293698 /nfs/dbraw/zinc/29/36/98/1109293698.db2.gz CMKWQKNLLIZRSV-CYBMUJFWSA-N 2 2 355.816 4.114 20 0 FIADLP COc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1OCCC(C)C ZINC000525181781 1109293775 /nfs/dbraw/zinc/29/37/75/1109293775.db2.gz PFQBBGNLFDOYQA-IBGZPJMESA-N 2 2 371.525 4.292 20 0 FIADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000527099158 1109691782 /nfs/dbraw/zinc/69/17/82/1109691782.db2.gz XQRATELZMOJGKD-ZDUSSCGKSA-N 2 2 357.311 4.359 20 0 FIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)[C@@H](C)C1 ZINC000448021232 1109695028 /nfs/dbraw/zinc/69/50/28/1109695028.db2.gz HKYOVPLMNINBJH-LAUBAEHRSA-N 2 2 374.500 4.312 20 0 FIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)[C@@H](C)C1 ZINC000448021232 1109695030 /nfs/dbraw/zinc/69/50/30/1109695030.db2.gz HKYOVPLMNINBJH-LAUBAEHRSA-N 2 2 374.500 4.312 20 0 FIADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@H](c3ccccn3)C3CCC3)CC2)cc1 ZINC000527769722 1109825618 /nfs/dbraw/zinc/82/56/18/1109825618.db2.gz BKHFLGQSODAYIW-QHCPKHFHSA-N 2 2 367.512 4.359 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000527925339 1109856602 /nfs/dbraw/zinc/85/66/02/1109856602.db2.gz AHRHVBXPPJBLTN-DVECYGJZSA-N 2 2 363.549 4.077 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000527925339 1109856605 /nfs/dbraw/zinc/85/66/05/1109856605.db2.gz AHRHVBXPPJBLTN-DVECYGJZSA-N 2 2 363.549 4.077 20 0 FIADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527949356 1109867364 /nfs/dbraw/zinc/86/73/64/1109867364.db2.gz NAWNJCGEARVBNH-UWJYYQICSA-N 2 2 372.557 4.274 20 0 FIADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527949356 1109867368 /nfs/dbraw/zinc/86/73/68/1109867368.db2.gz NAWNJCGEARVBNH-UWJYYQICSA-N 2 2 372.557 4.274 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)[C@@H](C)C1 ZINC000449027458 1109959059 /nfs/dbraw/zinc/95/90/59/1109959059.db2.gz IJXVRMMTSIGQFH-GUYCJALGSA-N 2 2 365.493 4.250 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)[C@@H](C)C1 ZINC000449027458 1109959061 /nfs/dbraw/zinc/95/90/61/1109959061.db2.gz IJXVRMMTSIGQFH-GUYCJALGSA-N 2 2 365.493 4.250 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)[C@@H](C)C1 ZINC000449027458 1109959063 /nfs/dbraw/zinc/95/90/63/1109959063.db2.gz IJXVRMMTSIGQFH-GUYCJALGSA-N 2 2 365.493 4.250 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)[C@@H](C)C1 ZINC000449027458 1109959064 /nfs/dbraw/zinc/95/90/64/1109959064.db2.gz IJXVRMMTSIGQFH-GUYCJALGSA-N 2 2 365.493 4.250 20 0 FIADLP Clc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(Cl)s1 ZINC000449060195 1109964489 /nfs/dbraw/zinc/96/44/89/1109964489.db2.gz FFHRBVVVJKETAJ-UHFFFAOYSA-N 2 2 371.333 4.177 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449156319 1109986986 /nfs/dbraw/zinc/98/69/86/1109986986.db2.gz RWSAVCFOPWJILJ-MJGOQNOKSA-N 2 2 364.961 4.455 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449229840 1110003173 /nfs/dbraw/zinc/00/31/73/1110003173.db2.gz FLEAZMJBSLHQBT-OAHLLOKOSA-N 2 2 370.497 4.137 20 0 FIADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cccc3ccoc32)C1 ZINC000449263193 1110018277 /nfs/dbraw/zinc/01/82/77/1110018277.db2.gz HKDZCFVOTZCZLN-MRXNPFEDSA-N 2 2 355.507 4.152 20 0 FIADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3ccoc32)C1 ZINC000449263193 1110018282 /nfs/dbraw/zinc/01/82/82/1110018282.db2.gz HKDZCFVOTZCZLN-MRXNPFEDSA-N 2 2 355.507 4.152 20 0 FIADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3ccoc32)C1 ZINC000449263193 1110018286 /nfs/dbraw/zinc/01/82/86/1110018286.db2.gz HKDZCFVOTZCZLN-MRXNPFEDSA-N 2 2 355.507 4.152 20 0 FIADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC000449263193 1110018291 /nfs/dbraw/zinc/01/82/91/1110018291.db2.gz HKDZCFVOTZCZLN-MRXNPFEDSA-N 2 2 355.507 4.152 20 0 FIADLP CC(C)=CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449519167 1110097277 /nfs/dbraw/zinc/09/72/77/1110097277.db2.gz AWVQPBPEWJFVTH-GOSISDBHSA-N 2 2 357.542 4.334 20 0 FIADLP Cc1[nH+]cn(Cc2cc(Cn3c[nH+]c(C)c3C)cc(C(F)(F)F)c2)c1C ZINC000450409214 1110292898 /nfs/dbraw/zinc/29/28/98/1110292898.db2.gz VPEFKMVIQHDMHX-UHFFFAOYSA-N 2 2 362.399 4.429 20 0 FIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCCCC1(F)F ZINC000450459670 1110300818 /nfs/dbraw/zinc/30/08/18/1110300818.db2.gz XNXZBQDHXTURMW-GOSISDBHSA-N 2 2 351.485 4.445 20 0 FIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCCCC1(F)F ZINC000450459670 1110300820 /nfs/dbraw/zinc/30/08/20/1110300820.db2.gz XNXZBQDHXTURMW-GOSISDBHSA-N 2 2 351.485 4.445 20 0 FIADLP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450488065 1110304969 /nfs/dbraw/zinc/30/49/69/1110304969.db2.gz OHAWHISHKUPDCY-LBPRGKRZSA-N 2 2 366.278 4.057 20 0 FIADLP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C12CCCCC2 ZINC000538397744 1111123487 /nfs/dbraw/zinc/12/34/87/1111123487.db2.gz AWVOEBRBNRSCFX-RTWAWAEBSA-N 2 2 353.510 4.149 20 0 FIADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)c(F)c1 ZINC000538556635 1111192726 /nfs/dbraw/zinc/19/27/26/1111192726.db2.gz DWVWWRVQRKDFLI-XJKSGUPXSA-N 2 2 362.880 4.188 20 0 FIADLP COc1ccc(Cl)cc1[C@@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000538558362 1111192795 /nfs/dbraw/zinc/19/27/95/1111192795.db2.gz AIJHFYVIMIEFBJ-PBHICJAKSA-N 2 2 374.916 4.057 20 0 FIADLP CSc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000538558253 1111192901 /nfs/dbraw/zinc/19/29/01/1111192901.db2.gz UXVVHJOFDYDPGJ-CRAIPNDOSA-N 2 2 356.539 4.117 20 0 FIADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(Cl)c1 ZINC000538589349 1111210712 /nfs/dbraw/zinc/21/07/12/1111210712.db2.gz ZGEHZJIFZMYONG-HNNXBMFYSA-N 2 2 358.917 4.439 20 0 FIADLP CC[C@@H](Cc1ccccc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538589843 1111211920 /nfs/dbraw/zinc/21/19/20/1111211920.db2.gz CIKXBYQPMPQTTD-IBGZPJMESA-N 2 2 352.526 4.045 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1 ZINC000539087266 1111426093 /nfs/dbraw/zinc/42/60/93/1111426093.db2.gz RMXNQEIITNCIRL-WTOYTKOKSA-N 2 2 356.485 4.156 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1 ZINC000539087266 1111426095 /nfs/dbraw/zinc/42/60/95/1111426095.db2.gz RMXNQEIITNCIRL-WTOYTKOKSA-N 2 2 356.485 4.156 20 0 FIADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000552275396 1111656225 /nfs/dbraw/zinc/65/62/25/1111656225.db2.gz UXXGWICJGYKTJQ-IAGOWNOFSA-N 2 2 373.491 4.496 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC[N@@H+]1C ZINC000479064264 1111939416 /nfs/dbraw/zinc/93/94/16/1111939416.db2.gz QCMNKDYYOCXLHC-WHCBVINPSA-N 2 2 355.295 4.112 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC[N@H+]1C ZINC000479064264 1111939419 /nfs/dbraw/zinc/93/94/19/1111939419.db2.gz QCMNKDYYOCXLHC-WHCBVINPSA-N 2 2 355.295 4.112 20 0 FIADLP CC(C)[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccnc1 ZINC000479484990 1112041132 /nfs/dbraw/zinc/04/11/32/1112041132.db2.gz ARUGIEKRPCHUOT-ABHNRTSZSA-N 2 2 355.448 4.174 20 0 FIADLP C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000479464905 1112041742 /nfs/dbraw/zinc/04/17/42/1112041742.db2.gz PWFIMGCDYYDZCA-IBGZPJMESA-N 2 2 360.505 4.440 20 0 FIADLP Cc1ccc(CSCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000480034209 1112241268 /nfs/dbraw/zinc/24/12/68/1112241268.db2.gz KCLJHCIPQPTUNK-KNQAVFIVSA-N 2 2 369.578 4.123 20 0 FIADLP Cc1ccc(CSCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000480034209 1112241272 /nfs/dbraw/zinc/24/12/72/1112241272.db2.gz KCLJHCIPQPTUNK-KNQAVFIVSA-N 2 2 369.578 4.123 20 0 FIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cnn(Cc2ccccc2)c1 ZINC000480238766 1112345893 /nfs/dbraw/zinc/34/58/93/1112345893.db2.gz COKJYOMEPUTCKX-HXUWFJFHSA-N 2 2 374.532 4.030 20 0 FIADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cnn(Cc2ccccc2)c1 ZINC000480238766 1112345898 /nfs/dbraw/zinc/34/58/98/1112345898.db2.gz COKJYOMEPUTCKX-HXUWFJFHSA-N 2 2 374.532 4.030 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(Br)c(Cl)s1)CCC2 ZINC000480381637 1112405683 /nfs/dbraw/zinc/40/56/83/1112405683.db2.gz HIJDAWFUHOWWLA-SNVBAGLBSA-N 2 2 374.735 4.336 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nccn1-c1ccccc1 ZINC000480392162 1112411401 /nfs/dbraw/zinc/41/14/01/1112411401.db2.gz CZLMVGWPQBGIEN-GZOXUSKESA-N 2 2 374.532 4.119 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nccn1-c1ccccc1 ZINC000480392162 1112411403 /nfs/dbraw/zinc/41/14/03/1112411403.db2.gz CZLMVGWPQBGIEN-GZOXUSKESA-N 2 2 374.532 4.119 20 0 FIADLP Fc1cccc(F)c1-c1csc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000480744551 1112583115 /nfs/dbraw/zinc/58/31/15/1112583115.db2.gz AERDJEBZHJPXSE-LBPRGKRZSA-N 2 2 360.433 4.191 20 0 FIADLP Fc1cccc(F)c1-c1csc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000480744551 1112583122 /nfs/dbraw/zinc/58/31/22/1112583122.db2.gz AERDJEBZHJPXSE-LBPRGKRZSA-N 2 2 360.433 4.191 20 0 FIADLP CCCc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000481315054 1112898364 /nfs/dbraw/zinc/89/83/64/1112898364.db2.gz BOSOGRBDSYPOFP-LJQANCHMSA-N 2 2 352.522 4.322 20 0 FIADLP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)nc(-c2ccc(Cl)cc2)n1 ZINC000555598532 1112942186 /nfs/dbraw/zinc/94/21/86/1112942186.db2.gz XEBJDZUTUMDQRF-NRFANRHFSA-N 2 2 370.928 4.023 20 0 FIADLP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)nc(-c2ccc(Cl)cc2)n1 ZINC000555598532 1112942188 /nfs/dbraw/zinc/94/21/88/1112942188.db2.gz XEBJDZUTUMDQRF-NRFANRHFSA-N 2 2 370.928 4.023 20 0 FIADLP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)nc(-c2ccc(Cl)cc2)n1 ZINC000555598532 1112942189 /nfs/dbraw/zinc/94/21/89/1112942189.db2.gz XEBJDZUTUMDQRF-NRFANRHFSA-N 2 2 370.928 4.023 20 0 FIADLP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)nc(-c2ccc(Cl)cc2)n1 ZINC000555598532 1112942194 /nfs/dbraw/zinc/94/21/94/1112942194.db2.gz XEBJDZUTUMDQRF-NRFANRHFSA-N 2 2 370.928 4.023 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc2cc(Br)ccc2o1 ZINC000157794317 1113119739 /nfs/dbraw/zinc/11/97/39/1113119739.db2.gz HZNOZXVWNIYHFG-XUJVJEKNSA-N 2 2 351.288 4.329 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc2cc(Br)ccc2o1 ZINC000157794317 1113119740 /nfs/dbraw/zinc/11/97/40/1113119740.db2.gz HZNOZXVWNIYHFG-XUJVJEKNSA-N 2 2 351.288 4.329 20 0 FIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccccc1 ZINC000482448445 1113262093 /nfs/dbraw/zinc/26/20/93/1113262093.db2.gz NWSAVVNCKSQFSL-WOJBJXKFSA-N 2 2 358.551 4.425 20 0 FIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccccc1 ZINC000482448445 1113262095 /nfs/dbraw/zinc/26/20/95/1113262095.db2.gz NWSAVVNCKSQFSL-WOJBJXKFSA-N 2 2 358.551 4.425 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000482636419 1113321169 /nfs/dbraw/zinc/32/11/69/1113321169.db2.gz WGVKNLNQTKICRO-SFHVURJKSA-N 2 2 367.537 4.289 20 0 FIADLP COc1ccc(Oc2ccc(C[N@H+](C)CCCn3cc[nH+]c3)cc2)cc1 ZINC000568067811 1113363452 /nfs/dbraw/zinc/36/34/52/1113363452.db2.gz KPDZLFMLFJXPDP-UHFFFAOYSA-N 2 2 351.450 4.206 20 0 FIADLP COc1ccc(Oc2ccc(C[N@@H+](C)CCCn3cc[nH+]c3)cc2)cc1 ZINC000568067811 1113363458 /nfs/dbraw/zinc/36/34/58/1113363458.db2.gz KPDZLFMLFJXPDP-UHFFFAOYSA-N 2 2 351.450 4.206 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000482963767 1113410356 /nfs/dbraw/zinc/41/03/56/1113410356.db2.gz QDQBYDUCWCEVIZ-CQSZACIVSA-N 2 2 371.282 4.189 20 0 FIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC000483130339 1113449310 /nfs/dbraw/zinc/44/93/10/1113449310.db2.gz NSLWNNISZUWJTM-VCBZYWHSSA-N 2 2 356.913 4.267 20 0 FIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC000483130339 1113449315 /nfs/dbraw/zinc/44/93/15/1113449315.db2.gz NSLWNNISZUWJTM-VCBZYWHSSA-N 2 2 356.913 4.267 20 0 FIADLP COc1cc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)ccc1OC(F)F ZINC000483134151 1113450006 /nfs/dbraw/zinc/45/00/06/1113450006.db2.gz ABQNCEMSTKJFDG-AWEZNQCLSA-N 2 2 373.403 4.333 20 0 FIADLP C[C@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486522051 1113587654 /nfs/dbraw/zinc/58/76/54/1113587654.db2.gz XHAFRASCEYEUTA-RXVVDRJESA-N 2 2 360.505 4.077 20 0 FIADLP C[C@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486522051 1113587656 /nfs/dbraw/zinc/58/76/56/1113587656.db2.gz XHAFRASCEYEUTA-RXVVDRJESA-N 2 2 360.505 4.077 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000486720014 1113628917 /nfs/dbraw/zinc/62/89/17/1113628917.db2.gz IFLNRUMYNBDXKA-HNNXBMFYSA-N 2 2 352.457 4.017 20 0 FIADLP c1ccc(COc2cncc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c2)cc1 ZINC000488429211 1113928497 /nfs/dbraw/zinc/92/84/97/1113928497.db2.gz CIGPUMMUWJJIMQ-QFIPXVFZSA-N 2 2 365.521 4.111 20 0 FIADLP c1ccc(COc2cncc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c2)cc1 ZINC000488429211 1113928499 /nfs/dbraw/zinc/92/84/99/1113928499.db2.gz CIGPUMMUWJJIMQ-QFIPXVFZSA-N 2 2 365.521 4.111 20 0 FIADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488514160 1113945563 /nfs/dbraw/zinc/94/55/63/1113945563.db2.gz IVOYEVTWZPQKFU-OAQYLSRUSA-N 2 2 366.484 4.189 20 0 FIADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488514160 1113945567 /nfs/dbraw/zinc/94/55/67/1113945567.db2.gz IVOYEVTWZPQKFU-OAQYLSRUSA-N 2 2 366.484 4.189 20 0 FIADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488514160 1113945568 /nfs/dbraw/zinc/94/55/68/1113945568.db2.gz IVOYEVTWZPQKFU-OAQYLSRUSA-N 2 2 366.484 4.189 20 0 FIADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488514160 1113945571 /nfs/dbraw/zinc/94/55/71/1113945571.db2.gz IVOYEVTWZPQKFU-OAQYLSRUSA-N 2 2 366.484 4.189 20 0 FIADLP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccc(Cl)cc1 ZINC000488714971 1113980674 /nfs/dbraw/zinc/98/06/74/1113980674.db2.gz NSTVSKFINYNIBL-HXUWFJFHSA-N 2 2 355.869 4.311 20 0 FIADLP COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000490079493 1114214030 /nfs/dbraw/zinc/21/40/30/1114214030.db2.gz KSZCPWLVPGLBAW-HXUWFJFHSA-N 2 2 355.869 4.345 20 0 FIADLP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000490079493 1114214033 /nfs/dbraw/zinc/21/40/33/1114214033.db2.gz KSZCPWLVPGLBAW-HXUWFJFHSA-N 2 2 355.869 4.345 20 0 FIADLP COc1ccc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc2)cc1 ZINC000490130024 1114222134 /nfs/dbraw/zinc/22/21/34/1114222134.db2.gz ITUABRAQDMHSSN-QHCPKHFHSA-N 2 2 361.489 4.150 20 0 FIADLP COc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2C)c2ccccc2Cl)cc1 ZINC000490171922 1114229729 /nfs/dbraw/zinc/22/97/29/1114229729.db2.gz JRZIVVBLJOKORP-HXUWFJFHSA-N 2 2 355.869 4.233 20 0 FIADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)CO2 ZINC000571680116 1114490266 /nfs/dbraw/zinc/49/02/66/1114490266.db2.gz IZJBCKKDRABNRX-ICSRJNTNSA-N 2 2 352.453 4.046 20 0 FIADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)CO2 ZINC000571680116 1114490267 /nfs/dbraw/zinc/49/02/67/1114490267.db2.gz IZJBCKKDRABNRX-ICSRJNTNSA-N 2 2 352.453 4.046 20 0 FIADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591083084 1115018297 /nfs/dbraw/zinc/01/82/97/1115018297.db2.gz NSXBUKNYSFHESK-FGZHOGPDSA-N 2 2 374.488 4.208 20 0 FIADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591083084 1115018300 /nfs/dbraw/zinc/01/83/00/1115018300.db2.gz NSXBUKNYSFHESK-FGZHOGPDSA-N 2 2 374.488 4.208 20 0 FIADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000573255648 1115086778 /nfs/dbraw/zinc/08/67/78/1115086778.db2.gz CPIHYUQCLYNVLB-WMZOPIPTSA-N 2 2 353.510 4.376 20 0 FIADLP COC(=O)c1csc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000574226286 1115296228 /nfs/dbraw/zinc/29/62/28/1115296228.db2.gz XCROGCDUNVBZDP-LBPRGKRZSA-N 2 2 373.453 4.019 20 0 FIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(Br)cs1 ZINC000226393354 1115350003 /nfs/dbraw/zinc/35/00/03/1115350003.db2.gz QYKYHNDFYSTZPW-SMDDNHRTSA-N 2 2 356.333 4.473 20 0 FIADLP CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)s1 ZINC000598966454 1115771796 /nfs/dbraw/zinc/77/17/96/1115771796.db2.gz XNFMXSDJKOLDDT-UHFFFAOYSA-N 2 2 364.555 4.200 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC[N@@H+]1C ZINC000608061567 1116079821 /nfs/dbraw/zinc/07/98/21/1116079821.db2.gz YYRDXNGPZQSGOC-BBRMVZONSA-N 2 2 363.299 4.281 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC[N@H+]1C ZINC000608061567 1116079823 /nfs/dbraw/zinc/07/98/23/1116079823.db2.gz YYRDXNGPZQSGOC-BBRMVZONSA-N 2 2 363.299 4.281 20 0 FIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000509450343 1116198458 /nfs/dbraw/zinc/19/84/58/1116198458.db2.gz RHKOZHCCLREDBZ-QFIPXVFZSA-N 2 2 374.532 4.467 20 0 FIADLP Cc1nc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)oc1-c1ccc(Cl)cc1 ZINC000534758296 1116235272 /nfs/dbraw/zinc/23/52/72/1116235272.db2.gz YBHLEBZIQBYRBG-HNNXBMFYSA-N 2 2 356.857 4.026 20 0 FIADLP Cc1nc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)oc1-c1ccc(Cl)cc1 ZINC000534758296 1116235274 /nfs/dbraw/zinc/23/52/74/1116235274.db2.gz YBHLEBZIQBYRBG-HNNXBMFYSA-N 2 2 356.857 4.026 20 0 FIADLP C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535044993 1116262532 /nfs/dbraw/zinc/26/25/32/1116262532.db2.gz DHHNEEDNYOERFI-ZFWWWQNUSA-N 2 2 356.857 4.279 20 0 FIADLP C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535044993 1116262534 /nfs/dbraw/zinc/26/25/34/1116262534.db2.gz DHHNEEDNYOERFI-ZFWWWQNUSA-N 2 2 356.857 4.279 20 0 FIADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)cs2)cc1 ZINC000535316739 1116295888 /nfs/dbraw/zinc/29/58/88/1116295888.db2.gz TVRZDADPDRFPAP-KRWDZBQOSA-N 2 2 352.507 4.096 20 0 FIADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)cs2)cc1 ZINC000535316739 1116295889 /nfs/dbraw/zinc/29/58/89/1116295889.db2.gz TVRZDADPDRFPAP-KRWDZBQOSA-N 2 2 352.507 4.096 20 0 FIADLP C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1)c1cccc(CO)c1 ZINC000535512583 1116314481 /nfs/dbraw/zinc/31/44/81/1116314481.db2.gz ZZJWQXBALZFFDD-RTBURBONSA-N 2 2 352.522 4.493 20 0 FIADLP CC[N@@H+](Cc1cn(C)nc1C(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539406612 1116332412 /nfs/dbraw/zinc/33/24/12/1116332412.db2.gz BSTZPPBTAKEPEJ-FQEVSTJZSA-N 2 2 368.569 4.062 20 0 FIADLP CC[N@H+](Cc1cn(C)nc1C(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539406612 1116332413 /nfs/dbraw/zinc/33/24/13/1116332413.db2.gz BSTZPPBTAKEPEJ-FQEVSTJZSA-N 2 2 368.569 4.062 20 0 FIADLP CC[NH+](Cc1cn(C)nc1C(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539406612 1116332416 /nfs/dbraw/zinc/33/24/16/1116332416.db2.gz BSTZPPBTAKEPEJ-FQEVSTJZSA-N 2 2 368.569 4.062 20 0 FIADLP CC[NH+](Cc1cn(C)nc1C(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539406612 1116332418 /nfs/dbraw/zinc/33/24/18/1116332418.db2.gz BSTZPPBTAKEPEJ-FQEVSTJZSA-N 2 2 368.569 4.062 20 0 FIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000325877194 1116382001 /nfs/dbraw/zinc/38/20/01/1116382001.db2.gz NCEWYSQXKCHHAQ-SNVBAGLBSA-N 2 2 351.294 4.099 20 0 FIADLP CC[N@H+](Cc1ccsc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000539829899 1116388002 /nfs/dbraw/zinc/38/80/02/1116388002.db2.gz ZNOLVMPZJMIJGT-UHFFFAOYSA-N 2 2 358.555 4.461 20 0 FIADLP CC[N@@H+](Cc1ccsc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000539829899 1116388003 /nfs/dbraw/zinc/38/80/03/1116388003.db2.gz ZNOLVMPZJMIJGT-UHFFFAOYSA-N 2 2 358.555 4.461 20 0 FIADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000539862799 1116392473 /nfs/dbraw/zinc/39/24/73/1116392473.db2.gz RNXCSTVJIPWIPC-OAQYLSRUSA-N 2 2 363.509 4.165 20 0 FIADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000539862799 1116392475 /nfs/dbraw/zinc/39/24/75/1116392475.db2.gz RNXCSTVJIPWIPC-OAQYLSRUSA-N 2 2 363.509 4.165 20 0 FIADLP FC(F)COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000462751554 1117745183 /nfs/dbraw/zinc/74/51/83/1117745183.db2.gz YTQMKJMEJNLSJI-IBGZPJMESA-N 2 2 360.448 4.085 20 0 FIADLP FC(F)COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000462751554 1117745186 /nfs/dbraw/zinc/74/51/86/1117745186.db2.gz YTQMKJMEJNLSJI-IBGZPJMESA-N 2 2 360.448 4.085 20 0 FIADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)cc2)c1C ZINC000462770584 1117767144 /nfs/dbraw/zinc/76/71/44/1117767144.db2.gz WWYBEAMYCDZCKT-SFHVURJKSA-N 2 2 366.509 4.082 20 0 FIADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)cc2)c1C ZINC000462770584 1117767146 /nfs/dbraw/zinc/76/71/46/1117767146.db2.gz WWYBEAMYCDZCKT-SFHVURJKSA-N 2 2 366.509 4.082 20 0 FIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1csc(-c2ccccc2F)n1 ZINC000462803683 1117786828 /nfs/dbraw/zinc/78/68/28/1117786828.db2.gz CDHDOSBOTVCADA-CQSZACIVSA-N 2 2 356.470 4.497 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000462814215 1117791216 /nfs/dbraw/zinc/79/12/16/1117791216.db2.gz OTXYAAKOSGPASF-MSOLQXFVSA-N 2 2 364.468 4.189 20 0 FIADLP C[N@@H+](Cc1cncc(C(F)(F)F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000463084867 1117965391 /nfs/dbraw/zinc/96/53/91/1117965391.db2.gz CHZYDMPSCHGLMY-KRWDZBQOSA-N 2 2 363.427 4.054 20 0 FIADLP C[N@H+](Cc1cncc(C(F)(F)F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000463084867 1117965395 /nfs/dbraw/zinc/96/53/95/1117965395.db2.gz CHZYDMPSCHGLMY-KRWDZBQOSA-N 2 2 363.427 4.054 20 0 FIADLP C[NH+](Cc1cncc(C(F)(F)F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000463084867 1117965397 /nfs/dbraw/zinc/96/53/97/1117965397.db2.gz CHZYDMPSCHGLMY-KRWDZBQOSA-N 2 2 363.427 4.054 20 0 FIADLP C[NH+](Cc1cncc(C(F)(F)F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000463084867 1117965401 /nfs/dbraw/zinc/96/54/01/1117965401.db2.gz CHZYDMPSCHGLMY-KRWDZBQOSA-N 2 2 363.427 4.054 20 0 FIADLP c1c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)onc1-c1ccccc1 ZINC000463117077 1117977890 /nfs/dbraw/zinc/97/78/90/1117977890.db2.gz SRWVMONTJZFLJD-UHFFFAOYSA-N 2 2 361.489 4.138 20 0 FIADLP CC(C)(CNC1CC[NH+](Cc2ccccc2Cl)CC1)[NH+]1CCCCC1 ZINC000463138184 1117985866 /nfs/dbraw/zinc/98/58/66/1117985866.db2.gz BFGBKMNHDNAYOI-UHFFFAOYSA-N 2 2 363.977 4.159 20 0 FIADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3COc4ccc(Cl)cc43)CC2)cc1 ZINC000463195160 1118010328 /nfs/dbraw/zinc/01/03/28/1118010328.db2.gz YSEQCIWSGNVMNV-HXUWFJFHSA-N 2 2 374.887 4.209 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000463211566 1118024415 /nfs/dbraw/zinc/02/44/15/1118024415.db2.gz HCPAEGYYVSCMFJ-YPAWHYETSA-N 2 2 353.510 4.086 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000463211566 1118024421 /nfs/dbraw/zinc/02/44/21/1118024421.db2.gz HCPAEGYYVSCMFJ-YPAWHYETSA-N 2 2 353.510 4.086 20 0 FIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCSc4ccc(F)cc43)[nH+]c2)C1 ZINC000540755991 1118224327 /nfs/dbraw/zinc/22/43/27/1118224327.db2.gz AFXFIBFDZPNJOJ-WMZOPIPTSA-N 2 2 372.513 4.010 20 0 FIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](CC3CC3)c3ccccc3)[nH+]c2)C1 ZINC000540757825 1118225975 /nfs/dbraw/zinc/22/59/75/1118225975.db2.gz DGGBQLGODINJNG-RTWAWAEBSA-N 2 2 350.510 4.175 20 0 FIADLP CCc1ccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000540787354 1118247097 /nfs/dbraw/zinc/24/70/97/1118247097.db2.gz CUBODHKEDZOFOK-KRWDZBQOSA-N 2 2 352.526 4.348 20 0 FIADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(F)cc1F ZINC000540788163 1118247630 /nfs/dbraw/zinc/24/76/30/1118247630.db2.gz ZOAIAWFLUOEMAV-FQEVSTJZSA-N 2 2 374.479 4.453 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](c2ccc(F)c(F)c2)C(C)C)CC1 ZINC000540986866 1118338323 /nfs/dbraw/zinc/33/83/23/1118338323.db2.gz MZYBUTZKOMCCQU-LJQANCHMSA-N 2 2 354.485 4.141 20 0 FIADLP C[C@@H]1[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C[C@@H]1c1ccccc1 ZINC000464061170 1118422310 /nfs/dbraw/zinc/42/23/10/1118422310.db2.gz ZVKNYAVDUSPZDI-HSQYWUDLSA-N 2 2 364.537 4.216 20 0 FIADLP COc1ccc(Oc2ccc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)cc2)cc1 ZINC000541317788 1118473997 /nfs/dbraw/zinc/47/39/97/1118473997.db2.gz UERLARGGAKOWOS-QGZVFWFLSA-N 2 2 351.450 4.110 20 0 FIADLP CCC[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1)c1cccnc1 ZINC000541744158 1118630099 /nfs/dbraw/zinc/63/00/99/1118630099.db2.gz DOUZHKFUXCJAIB-HSZRJFAPSA-N 2 2 366.553 4.033 20 0 FIADLP CC(C)Oc1ccccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464828049 1118712926 /nfs/dbraw/zinc/71/29/26/1118712926.db2.gz BCILTTZLCDLPKU-NRFANRHFSA-N 2 2 352.522 4.428 20 0 FIADLP CC(C)Oc1ccccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464828049 1118712930 /nfs/dbraw/zinc/71/29/30/1118712930.db2.gz BCILTTZLCDLPKU-NRFANRHFSA-N 2 2 352.522 4.428 20 0 FIADLP CC(C)Oc1ccccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464828049 1118712933 /nfs/dbraw/zinc/71/29/33/1118712933.db2.gz BCILTTZLCDLPKU-NRFANRHFSA-N 2 2 352.522 4.428 20 0 FIADLP CC(C)Oc1ccccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464828049 1118712940 /nfs/dbraw/zinc/71/29/40/1118712940.db2.gz BCILTTZLCDLPKU-NRFANRHFSA-N 2 2 352.522 4.428 20 0 FIADLP CC(C)[NH+]1CCC([NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000542145769 1118807220 /nfs/dbraw/zinc/80/72/20/1118807220.db2.gz DXLQTOSQYTYWCG-NRFANRHFSA-N 2 2 357.929 4.481 20 0 FIADLP Clc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(Br)c1 ZINC000303521054 1118955726 /nfs/dbraw/zinc/95/57/26/1118955726.db2.gz CSKDENMMEWDDKU-UHFFFAOYSA-N 2 2 371.750 4.410 20 0 FIADLP Cc1ccc(C[C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)s1 ZINC000151889473 1118998080 /nfs/dbraw/zinc/99/80/80/1118998080.db2.gz VUZPPJCNOMNWAK-MRXNPFEDSA-N 2 2 357.567 4.312 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC[N@@H+]1C ZINC000493224275 1119352178 /nfs/dbraw/zinc/35/21/78/1119352178.db2.gz DCPPSAWUDUMKPZ-BPAFIMBUSA-N 2 2 360.448 4.450 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC[N@H+]1C ZINC000493224275 1119352181 /nfs/dbraw/zinc/35/21/81/1119352181.db2.gz DCPPSAWUDUMKPZ-BPAFIMBUSA-N 2 2 360.448 4.450 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000178216258 1119377850 /nfs/dbraw/zinc/37/78/50/1119377850.db2.gz KOSIWDIGSRAVOA-JIZBTBOESA-N 2 2 369.475 4.250 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000178216258 1119377852 /nfs/dbraw/zinc/37/78/52/1119377852.db2.gz KOSIWDIGSRAVOA-JIZBTBOESA-N 2 2 369.475 4.250 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183196461 1119568481 /nfs/dbraw/zinc/56/84/81/1119568481.db2.gz NHPKBHIHABRBKT-WAOWUJCRSA-N 3 2 366.553 4.484 20 0 FIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183196461 1119568483 /nfs/dbraw/zinc/56/84/83/1119568483.db2.gz NHPKBHIHABRBKT-WAOWUJCRSA-N 3 2 366.553 4.484 20 0 FIADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000542478264 1119649351 /nfs/dbraw/zinc/64/93/51/1119649351.db2.gz KEPTWBWDXVUWGD-KGVIQGDOSA-N 2 2 355.501 4.268 20 0 FIADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000542478264 1119649352 /nfs/dbraw/zinc/64/93/52/1119649352.db2.gz KEPTWBWDXVUWGD-KGVIQGDOSA-N 2 2 355.501 4.268 20 0 FIADLP COc1ccc2nc(C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)sc2c1 ZINC000187490651 1119786170 /nfs/dbraw/zinc/78/61/70/1119786170.db2.gz VUFGVMJCNXCAKG-GJZGRUSLSA-N 2 2 359.539 4.048 20 0 FIADLP COc1ccc2nc(C[NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)sc2c1 ZINC000187490651 1119786172 /nfs/dbraw/zinc/78/61/72/1119786172.db2.gz VUFGVMJCNXCAKG-GJZGRUSLSA-N 2 2 359.539 4.048 20 0 FIADLP Cc1ccc2c(c1)nc(C[NH2+]C1CC[NH+]([C@H]3CCC[C@@H](C)C3)CC1)n2C ZINC000187591471 1119790669 /nfs/dbraw/zinc/79/06/69/1119790669.db2.gz CXRRWQUDABYMIX-APWZRJJASA-N 2 2 354.542 4.014 20 0 FIADLP Clc1ccccc1COc1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000494437180 1119860361 /nfs/dbraw/zinc/86/03/61/1119860361.db2.gz SMRJUUFKKJWKHS-GOSISDBHSA-N 2 2 367.880 4.220 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CSc3ccc(Br)cc32)CC1 ZINC000494522899 1119889261 /nfs/dbraw/zinc/88/92/61/1119889261.db2.gz GEGCBQZJRVQSIW-HNNXBMFYSA-N 2 2 369.372 4.448 20 0 FIADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)c(F)c1)CCS2 ZINC000191501379 1119980252 /nfs/dbraw/zinc/98/02/52/1119980252.db2.gz PYNKIIZBGIHZNI-GOSISDBHSA-N 2 2 369.465 4.347 20 0 FIADLP CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1F ZINC000495024356 1120432068 /nfs/dbraw/zinc/43/20/68/1120432068.db2.gz DKNMXPLDHQWMCG-HXUWFJFHSA-N 2 2 356.489 4.314 20 0 FIADLP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000495058836 1120452186 /nfs/dbraw/zinc/45/21/86/1120452186.db2.gz KUECCTDSYPDRCM-PGRDOPGGSA-N 2 2 365.452 4.269 20 0 FIADLP Brc1cccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)o2)c1 ZINC000236578649 1120967102 /nfs/dbraw/zinc/96/71/02/1120967102.db2.gz HUXJHCAUSDXJMA-UHFFFAOYSA-N 2 2 360.255 4.086 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282125991 1121259899 /nfs/dbraw/zinc/25/98/99/1121259899.db2.gz RAJFLYOBLTZKOG-HZPDHXFCSA-N 2 2 350.466 4.301 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282125991 1121259903 /nfs/dbraw/zinc/25/99/03/1121259903.db2.gz RAJFLYOBLTZKOG-HZPDHXFCSA-N 2 2 350.466 4.301 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)c1ccccc1 ZINC000671716162 1121431074 /nfs/dbraw/zinc/43/10/74/1121431074.db2.gz MWIBCQRGAHRJOP-KKHYBRAUSA-N 2 2 353.416 4.285 20 0 FIADLP CCCOc1c(Cl)cc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1OC ZINC000125221202 1121759467 /nfs/dbraw/zinc/75/94/67/1121759467.db2.gz OPMXSUSEIXGJNN-UHFFFAOYSA-N 2 2 354.922 4.054 20 0 FIADLP CCCOc1c(Cl)cc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1OC ZINC000125221202 1121759472 /nfs/dbraw/zinc/75/94/72/1121759472.db2.gz OPMXSUSEIXGJNN-UHFFFAOYSA-N 2 2 354.922 4.054 20 0 FIADLP c1cn(Cc2ccccc2C[NH2+]Cc2csc(-c3ccsc3)n2)c[nH+]1 ZINC000067186711 1121772046 /nfs/dbraw/zinc/77/20/46/1121772046.db2.gz SXABAQYAQPXRCT-UHFFFAOYSA-N 2 2 366.515 4.406 20 0 FIADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000072971817 1121912540 /nfs/dbraw/zinc/91/25/40/1121912540.db2.gz ZAPQEYCTHMPBDE-UHFFFAOYSA-N 2 2 355.401 4.263 20 0 FIADLP CC(C)O[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)C1(C)C ZINC000765803776 1122055442 /nfs/dbraw/zinc/05/54/42/1122055442.db2.gz DEOBWXXJFNGXSV-NHCUHLMSSA-N 2 2 359.558 4.221 20 0 FIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000091287537 1122140247 /nfs/dbraw/zinc/14/02/47/1122140247.db2.gz SBEQFKZKWVJXSA-SFHVURJKSA-N 2 2 362.521 4.197 20 0 FIADLP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000497414213 1122215899 /nfs/dbraw/zinc/21/58/99/1122215899.db2.gz CVCKBZNYFKTVQZ-SFHVURJKSA-N 2 2 357.885 4.207 20 0 FIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000497530021 1122272881 /nfs/dbraw/zinc/27/28/81/1122272881.db2.gz PKWIOSUDXAQMLX-QFIPXVFZSA-N 2 2 355.501 4.480 20 0 FIADLP FC(F)(F)c1ccccc1OCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000497670317 1122348973 /nfs/dbraw/zinc/34/89/73/1122348973.db2.gz UNVYUWBKPVEVEC-UHFFFAOYSA-N 2 2 356.432 4.035 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2sccc2Br)C[C@@H]1c1ccccc1 ZINC000556119104 1122670907 /nfs/dbraw/zinc/67/09/07/1122670907.db2.gz PEGIXCODFXQDOO-GDBMZVCRSA-N 2 2 365.340 4.436 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2sccc2Br)C[C@@H]1c1ccccc1 ZINC000556119104 1122670911 /nfs/dbraw/zinc/67/09/11/1122670911.db2.gz PEGIXCODFXQDOO-GDBMZVCRSA-N 2 2 365.340 4.436 20 0 FIADLP c1csc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]2CCCO2)c1 ZINC000071122679 1122851027 /nfs/dbraw/zinc/85/10/27/1122851027.db2.gz FWLYGFMFHHUJDJ-IBGZPJMESA-N 2 2 353.491 4.115 20 0 FIADLP c1csc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]2CCCO2)c1 ZINC000071122679 1122851029 /nfs/dbraw/zinc/85/10/29/1122851029.db2.gz FWLYGFMFHHUJDJ-IBGZPJMESA-N 2 2 353.491 4.115 20 0 FIADLP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CCC2 ZINC000132642001 1123312460 /nfs/dbraw/zinc/31/24/60/1123312460.db2.gz BHOFDUABWCMAAF-QGZVFWFLSA-N 2 2 372.394 4.453 20 0 FIADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc(N4CCCC4)[nH+]c2)C3)cc1 ZINC000499190552 1123318259 /nfs/dbraw/zinc/31/82/59/1123318259.db2.gz NNYRSBIMACTDIB-DKUWSORSSA-N 2 2 362.521 4.289 20 0 FIADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc(N4CCCC4)[nH+]c2)C3)cc1 ZINC000499190552 1123318265 /nfs/dbraw/zinc/31/82/65/1123318265.db2.gz NNYRSBIMACTDIB-DKUWSORSSA-N 2 2 362.521 4.289 20 0 FIADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)C1 ZINC000920181225 1123397858 /nfs/dbraw/zinc/39/78/58/1123397858.db2.gz MGYKJCPATGFUOD-GOSISDBHSA-N 2 2 374.960 4.272 20 0 FIADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)C1 ZINC000920181225 1123397862 /nfs/dbraw/zinc/39/78/62/1123397862.db2.gz MGYKJCPATGFUOD-GOSISDBHSA-N 2 2 374.960 4.272 20 0 FIADLP CCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000236795576 1123565950 /nfs/dbraw/zinc/56/59/50/1123565950.db2.gz UEDUKADVIOSUJT-UHFFFAOYSA-N 2 2 354.542 4.134 20 0 FIADLP CCCc1nc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000076108486 1123567526 /nfs/dbraw/zinc/56/75/26/1123567526.db2.gz PWBTXRGTGOAAOG-UHFFFAOYSA-N 2 2 358.555 4.229 20 0 FIADLP CCCc1nc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000076108486 1123567528 /nfs/dbraw/zinc/56/75/28/1123567528.db2.gz PWBTXRGTGOAAOG-UHFFFAOYSA-N 2 2 358.555 4.229 20 0 FIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nc2c(s1)CCC2 ZINC000134924730 1123695288 /nfs/dbraw/zinc/69/52/88/1123695288.db2.gz LUXGGIQCQSVKGK-UXDRXVOSSA-N 2 2 367.562 4.478 20 0 FIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nc2c(s1)CCC2 ZINC000134924730 1123695292 /nfs/dbraw/zinc/69/52/92/1123695292.db2.gz LUXGGIQCQSVKGK-UXDRXVOSSA-N 2 2 367.562 4.478 20 0 FIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000081584820 1124062729 /nfs/dbraw/zinc/06/27/29/1124062729.db2.gz YZPIXLJYKMQEKJ-HXUWFJFHSA-N 2 2 365.521 4.103 20 0 FIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000081584820 1124062731 /nfs/dbraw/zinc/06/27/31/1124062731.db2.gz YZPIXLJYKMQEKJ-HXUWFJFHSA-N 2 2 365.521 4.103 20 0 FIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000081584820 1124062734 /nfs/dbraw/zinc/06/27/34/1124062734.db2.gz YZPIXLJYKMQEKJ-HXUWFJFHSA-N 2 2 365.521 4.103 20 0 FIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000081584820 1124062739 /nfs/dbraw/zinc/06/27/39/1124062739.db2.gz YZPIXLJYKMQEKJ-HXUWFJFHSA-N 2 2 365.521 4.103 20 0 FIADLP COc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccc(Cl)cc2)cc1C ZINC000180013718 1124197106 /nfs/dbraw/zinc/19/71/06/1124197106.db2.gz HDOKVCYADNODNP-NRFANRHFSA-N 2 2 358.913 4.430 20 0 FIADLP C[N@H+](Cc1cccc(OC(C)(C)C)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000508891349 1124217703 /nfs/dbraw/zinc/21/77/03/1124217703.db2.gz LNKQXDBMUTUTJB-UHFFFAOYSA-N 2 2 367.537 4.355 20 0 FIADLP C[N@@H+](Cc1cccc(OC(C)(C)C)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000508891349 1124217710 /nfs/dbraw/zinc/21/77/10/1124217710.db2.gz LNKQXDBMUTUTJB-UHFFFAOYSA-N 2 2 367.537 4.355 20 0 FIADLP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)on1 ZINC000542776037 1124254030 /nfs/dbraw/zinc/25/40/30/1124254030.db2.gz OCKLDFAHSVQJCL-NVXWUHKLSA-N 2 2 365.477 4.076 20 0 FIADLP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)on1 ZINC000542776037 1124254038 /nfs/dbraw/zinc/25/40/38/1124254038.db2.gz OCKLDFAHSVQJCL-NVXWUHKLSA-N 2 2 365.477 4.076 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245806868 1124255354 /nfs/dbraw/zinc/25/53/54/1124255354.db2.gz YQJCZQLHKSMIGJ-LIRRHRJNSA-N 2 2 360.933 4.057 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245806868 1124255360 /nfs/dbraw/zinc/25/53/60/1124255360.db2.gz YQJCZQLHKSMIGJ-LIRRHRJNSA-N 2 2 360.933 4.057 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245806868 1124255365 /nfs/dbraw/zinc/25/53/65/1124255365.db2.gz YQJCZQLHKSMIGJ-LIRRHRJNSA-N 2 2 360.933 4.057 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245806868 1124255372 /nfs/dbraw/zinc/25/53/72/1124255372.db2.gz YQJCZQLHKSMIGJ-LIRRHRJNSA-N 2 2 360.933 4.057 20 0 FIADLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C12CCCCC2 ZINC000245934635 1124290535 /nfs/dbraw/zinc/29/05/35/1124290535.db2.gz SZYQBXGOSSRHQJ-BVYCBKJFSA-N 2 2 371.569 4.325 20 0 FIADLP COc1cc(Cl)ccc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000765867287 1124294038 /nfs/dbraw/zinc/29/40/38/1124294038.db2.gz LSWILJXSWTZDIS-UHFFFAOYSA-N 2 2 373.928 4.173 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1nc2ccccc2n1C ZINC000246163023 1124377335 /nfs/dbraw/zinc/37/73/35/1124377335.db2.gz UQRTVQXYKGGQMI-RZQQEMMASA-N 2 2 368.550 4.369 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1nc2ccccc2n1C ZINC000246163023 1124377361 /nfs/dbraw/zinc/37/73/61/1124377361.db2.gz UQRTVQXYKGGQMI-RZQQEMMASA-N 2 2 368.550 4.369 20 0 FIADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000247933369 1124731170 /nfs/dbraw/zinc/73/11/70/1124731170.db2.gz CGEPWAXIAQOJDF-FXAWDEMLSA-N 2 2 371.550 4.125 20 0 FIADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000247933369 1124731173 /nfs/dbraw/zinc/73/11/73/1124731173.db2.gz CGEPWAXIAQOJDF-FXAWDEMLSA-N 2 2 371.550 4.125 20 0 FIADLP CCOc1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cs2)cc1 ZINC000247933369 1124731177 /nfs/dbraw/zinc/73/11/77/1124731177.db2.gz CGEPWAXIAQOJDF-FXAWDEMLSA-N 2 2 371.550 4.125 20 0 FIADLP CCOc1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cs2)cc1 ZINC000247933369 1124731185 /nfs/dbraw/zinc/73/11/85/1124731185.db2.gz CGEPWAXIAQOJDF-FXAWDEMLSA-N 2 2 371.550 4.125 20 0 FIADLP C[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000249185164 1124849433 /nfs/dbraw/zinc/84/94/33/1124849433.db2.gz KFEYQCPOUQRJDM-YXJHDRRASA-N 2 2 367.415 4.007 20 0 FIADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667341 1125013376 /nfs/dbraw/zinc/01/33/76/1125013376.db2.gz WXXFCZQKACHDMM-GAJHUEQPSA-N 2 2 365.521 4.283 20 0 FIADLP COC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000091413682 1125071986 /nfs/dbraw/zinc/07/19/86/1125071986.db2.gz KWJVWLQZQQSJHZ-VLIAUNLRSA-N 2 2 357.404 4.189 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CCC2 ZINC000091676304 1125087157 /nfs/dbraw/zinc/08/71/57/1125087157.db2.gz MBOGXRVALHDELR-GOSISDBHSA-N 2 2 360.299 4.360 20 0 FIADLP CCn1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000093318238 1125298794 /nfs/dbraw/zinc/29/87/94/1125298794.db2.gz BZEWVSLPWORQDB-DYESRHJHSA-N 2 2 354.542 4.005 20 0 FIADLP CCn1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000093318238 1125298799 /nfs/dbraw/zinc/29/87/99/1125298799.db2.gz BZEWVSLPWORQDB-DYESRHJHSA-N 2 2 354.542 4.005 20 0 FIADLP CCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000093318238 1125298804 /nfs/dbraw/zinc/29/88/04/1125298804.db2.gz BZEWVSLPWORQDB-DYESRHJHSA-N 2 2 354.542 4.005 20 0 FIADLP CCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000093318238 1125298808 /nfs/dbraw/zinc/29/88/08/1125298808.db2.gz BZEWVSLPWORQDB-DYESRHJHSA-N 2 2 354.542 4.005 20 0 FIADLP COc1cccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000093318299 1125298849 /nfs/dbraw/zinc/29/88/49/1125298849.db2.gz ASSNEMDAKDGZPZ-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1cccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000093318299 1125298854 /nfs/dbraw/zinc/29/88/54/1125298854.db2.gz ASSNEMDAKDGZPZ-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1cccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000093318299 1125298859 /nfs/dbraw/zinc/29/88/59/1125298859.db2.gz ASSNEMDAKDGZPZ-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP COc1cccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000093318299 1125298863 /nfs/dbraw/zinc/29/88/63/1125298863.db2.gz ASSNEMDAKDGZPZ-RXVVDRJESA-N 2 2 368.521 4.189 20 0 FIADLP CCCn1nc(C)c(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)c1C ZINC000093564610 1125440565 /nfs/dbraw/zinc/44/05/65/1125440565.db2.gz BEEBNNCWRWAYEN-UHFFFAOYSA-N 2 2 369.557 4.043 20 0 FIADLP CCCn1nc(C)c(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)c1C ZINC000093564610 1125440569 /nfs/dbraw/zinc/44/05/69/1125440569.db2.gz BEEBNNCWRWAYEN-UHFFFAOYSA-N 2 2 369.557 4.043 20 0 FIADLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CCO1 ZINC000275498260 527512498 /nfs/dbraw/zinc/51/24/98/527512498.db2.gz JMMBSWWRLUXLPH-PGRDOPGGSA-N 2 2 363.461 4.222 20 0 FIADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CCS2 ZINC000187021017 568001484 /nfs/dbraw/zinc/00/14/84/568001484.db2.gz RLSDDKYZRLHVTP-NRFANRHFSA-N 2 2 367.562 4.490 20 0 FIADLP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000604069337 568206055 /nfs/dbraw/zinc/20/60/55/568206055.db2.gz TVJPXOODJMDVSJ-OAQYLSRUSA-N 2 2 368.521 4.238 20 0 FIADLP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1OC ZINC000604069337 568206056 /nfs/dbraw/zinc/20/60/56/568206056.db2.gz TVJPXOODJMDVSJ-OAQYLSRUSA-N 2 2 368.521 4.238 20 0 FIADLP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1OCC ZINC000604069972 568206133 /nfs/dbraw/zinc/20/61/33/568206133.db2.gz VAQSYJDWBBGIIN-NRFANRHFSA-N 2 2 368.521 4.238 20 0 FIADLP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1OCC ZINC000604069972 568206134 /nfs/dbraw/zinc/20/61/34/568206134.db2.gz VAQSYJDWBBGIIN-NRFANRHFSA-N 2 2 368.521 4.238 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(Br)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390818606 568279375 /nfs/dbraw/zinc/27/93/75/568279375.db2.gz RECRYMICCQNRBF-HOCLYGCPSA-N 2 2 363.299 4.042 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(Br)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390818606 568279377 /nfs/dbraw/zinc/27/93/77/568279377.db2.gz RECRYMICCQNRBF-HOCLYGCPSA-N 2 2 363.299 4.042 20 0 FIADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OCc1ccccc1 ZINC000093643627 1125469763 /nfs/dbraw/zinc/46/97/63/1125469763.db2.gz AYWRQSGEYFOWCJ-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OCc1ccccc1 ZINC000093643627 1125469769 /nfs/dbraw/zinc/46/97/69/1125469769.db2.gz AYWRQSGEYFOWCJ-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCc1ccccc1 ZINC000093643627 1125469774 /nfs/dbraw/zinc/46/97/74/1125469774.db2.gz AYWRQSGEYFOWCJ-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCc1ccccc1 ZINC000093643627 1125469779 /nfs/dbraw/zinc/46/97/79/1125469779.db2.gz AYWRQSGEYFOWCJ-GHTZIAJQSA-N 2 2 368.521 4.189 20 0 FIADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCc1cccs1 ZINC000093644664 1125471913 /nfs/dbraw/zinc/47/19/13/1125471913.db2.gz QPQBZCHXQIJQID-WMZOPIPTSA-N 2 2 374.550 4.250 20 0 FIADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCc1cccs1 ZINC000093644664 1125471916 /nfs/dbraw/zinc/47/19/16/1125471916.db2.gz QPQBZCHXQIJQID-WMZOPIPTSA-N 2 2 374.550 4.250 20 0 FIADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1cccs1 ZINC000093644664 1125471924 /nfs/dbraw/zinc/47/19/24/1125471924.db2.gz QPQBZCHXQIJQID-WMZOPIPTSA-N 2 2 374.550 4.250 20 0 FIADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1cccs1 ZINC000093644664 1125471927 /nfs/dbraw/zinc/47/19/27/1125471927.db2.gz QPQBZCHXQIJQID-WMZOPIPTSA-N 2 2 374.550 4.250 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[N@@H+]1C ZINC000093644388 1125472062 /nfs/dbraw/zinc/47/20/62/1125472062.db2.gz NADUZHVSDQRRHT-FXAWDEMLSA-N 2 2 354.542 4.084 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[N@H+]1C ZINC000093644388 1125472069 /nfs/dbraw/zinc/47/20/69/1125472069.db2.gz NADUZHVSDQRRHT-FXAWDEMLSA-N 2 2 354.542 4.084 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[NH+]1C ZINC000093644388 1125472074 /nfs/dbraw/zinc/47/20/74/1125472074.db2.gz NADUZHVSDQRRHT-FXAWDEMLSA-N 2 2 354.542 4.084 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[NH+]1C ZINC000093644388 1125472079 /nfs/dbraw/zinc/47/20/79/1125472079.db2.gz NADUZHVSDQRRHT-FXAWDEMLSA-N 2 2 354.542 4.084 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1F ZINC000763539963 1125550086 /nfs/dbraw/zinc/55/00/86/1125550086.db2.gz SAIVTDYAZCZOJU-MAUKXSAKSA-N 2 2 354.897 4.163 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000152800860 1125654990 /nfs/dbraw/zinc/65/49/90/1125654990.db2.gz YYKNKRXTYCGJRQ-MSOLQXFVSA-N 2 2 364.468 4.189 20 0 FIADLP c1cc(-c2ncc(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)s2)cs1 ZINC001648785973 1079585850 /nfs/dbraw/zinc/58/58/50/1079585850.db2.gz OPGWGAVTXGNWRK-UHFFFAOYSA-N 2 2 369.559 4.410 20 0 FIADLP c1cc(-c2ncc(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)s2)cs1 ZINC001648785973 1079585859 /nfs/dbraw/zinc/58/58/59/1079585859.db2.gz OPGWGAVTXGNWRK-UHFFFAOYSA-N 2 2 369.559 4.410 20 0 FIADLP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000153274887 1125768006 /nfs/dbraw/zinc/76/80/06/1125768006.db2.gz KZFKCPPAIUOGJL-SIKLNZKXSA-N 2 2 351.538 4.168 20 0 FIADLP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000153274887 1125768011 /nfs/dbraw/zinc/76/80/11/1125768011.db2.gz KZFKCPPAIUOGJL-SIKLNZKXSA-N 2 2 351.538 4.168 20 0 FIADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)cc1Br ZINC001206767436 1079761339 /nfs/dbraw/zinc/76/13/39/1079761339.db2.gz BGRJBTRGPBJLEW-WDEREUQCSA-N 2 2 365.237 4.027 20 0 FIADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)cc1Br ZINC001206767436 1079761343 /nfs/dbraw/zinc/76/13/43/1079761343.db2.gz BGRJBTRGPBJLEW-WDEREUQCSA-N 2 2 365.237 4.027 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1nc2ccc(F)cc2s1)c1ccccc1 ZINC000683202899 1079946715 /nfs/dbraw/zinc/94/67/15/1079946715.db2.gz MHVGJHYHGNWTFB-QGZVFWFLSA-N 2 2 366.465 4.243 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)s1 ZINC000510205751 1080777473 /nfs/dbraw/zinc/77/74/73/1080777473.db2.gz GLIOSSCOBQCSSJ-UHFFFAOYSA-N 2 2 371.481 4.426 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Br)o1 ZINC000398165710 1080816054 /nfs/dbraw/zinc/81/60/54/1080816054.db2.gz TUZWWDZQUMCFOE-RHSMWYFYSA-N 2 2 363.299 4.042 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Br)o1 ZINC000398165710 1080816062 /nfs/dbraw/zinc/81/60/62/1080816062.db2.gz TUZWWDZQUMCFOE-RHSMWYFYSA-N 2 2 363.299 4.042 20 0 FIADLP Cc1ccc(C)c([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000655703964 1081125344 /nfs/dbraw/zinc/12/53/44/1081125344.db2.gz OKFOETYFLWDFDX-ISKFKSNPSA-N 2 2 364.533 4.236 20 0 FIADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655721775 1081140502 /nfs/dbraw/zinc/14/05/02/1081140502.db2.gz BEHSEULSGJZFBY-RTWAWAEBSA-N 2 2 370.562 4.183 20 0 FIADLP c1csc(C([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2cccs2)c1 ZINC000655729568 1081147011 /nfs/dbraw/zinc/14/70/11/1081147011.db2.gz KLOROOCZNCAEPG-INIZCTEOSA-N 2 2 362.564 4.132 20 0 FIADLP C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655735858 1081153209 /nfs/dbraw/zinc/15/32/09/1081153209.db2.gz KYRKYXMWWDXQLN-ZOBUZTSGSA-N 2 2 370.459 4.040 20 0 FIADLP Clc1cccc(Cl)c1[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000655767474 1081178636 /nfs/dbraw/zinc/17/86/36/1081178636.db2.gz FJXJBYLBAUASTI-BEFAXECRSA-N 2 2 369.336 4.287 20 0 FIADLP Clc1cccc(Cl)c1[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000655767475 1081178911 /nfs/dbraw/zinc/17/89/11/1081178911.db2.gz FJXJBYLBAUASTI-DNVCBOLYSA-N 2 2 369.336 4.287 20 0 FIADLP Clc1ccc([C@@H]2CCC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655773944 1081184081 /nfs/dbraw/zinc/18/40/81/1081184081.db2.gz LUTNWNUGZYISQJ-DUXKGJEZSA-N 2 2 362.945 4.209 20 0 FIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000124467537 1081753205 /nfs/dbraw/zinc/75/32/05/1081753205.db2.gz VPXAZADBUHMSRU-UHFFFAOYSA-N 2 2 370.884 4.033 20 0 FIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000124467537 1081753219 /nfs/dbraw/zinc/75/32/19/1081753219.db2.gz VPXAZADBUHMSRU-UHFFFAOYSA-N 2 2 370.884 4.033 20 0 FIADLP FC(F)(F)c1cscc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000580863303 1082196331 /nfs/dbraw/zinc/19/63/31/1082196331.db2.gz MURJBKOZYBRECU-UHFFFAOYSA-N 2 2 351.397 4.302 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1O ZINC000558509331 1082519521 /nfs/dbraw/zinc/51/95/21/1082519521.db2.gz MTSXZRMCVPUWFP-VGSWGCGISA-N 2 2 354.494 4.106 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)cc1O ZINC000558509331 1082519523 /nfs/dbraw/zinc/51/95/23/1082519523.db2.gz MTSXZRMCVPUWFP-VGSWGCGISA-N 2 2 354.494 4.106 20 0 FIADLP c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2)cc1 ZINC000581562307 1082667142 /nfs/dbraw/zinc/66/71/42/1082667142.db2.gz HKEIMKUEQDPOGO-QHCPKHFHSA-N 2 2 350.506 4.040 20 0 FIADLP c1ccc(-c2ccc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2)cc1 ZINC000581562307 1082667147 /nfs/dbraw/zinc/66/71/47/1082667147.db2.gz HKEIMKUEQDPOGO-QHCPKHFHSA-N 2 2 350.506 4.040 20 0 FIADLP CC[C@H](Cc1cccs1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000684412463 1082861148 /nfs/dbraw/zinc/86/11/48/1082861148.db2.gz LNHMDTBMIVUZBB-QQFBHYJXSA-N 2 2 360.489 4.464 20 0 FIADLP CSc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000510536698 1083147104 /nfs/dbraw/zinc/14/71/04/1083147104.db2.gz YWUDZTZDIDWXJA-CYBMUJFWSA-N 2 2 366.328 4.274 20 0 FIADLP CSc1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000510536698 1083147109 /nfs/dbraw/zinc/14/71/09/1083147109.db2.gz YWUDZTZDIDWXJA-CYBMUJFWSA-N 2 2 366.328 4.274 20 0 FIADLP COCCC[NH+]1CCC([NH2+][C@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510706964 1083250983 /nfs/dbraw/zinc/25/09/83/1083250983.db2.gz WFQLPXWRRDZJSZ-HSZRJFAPSA-N 2 2 370.512 4.314 20 0 FIADLP Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000581985329 1083341541 /nfs/dbraw/zinc/34/15/41/1083341541.db2.gz GYVNVMQPTJSGFN-SFHVURJKSA-N 2 2 353.853 4.399 20 0 FIADLP Clc1cc(Cl)c2c(c1)C=C(C[NH+]1CCC(n3cc[nH+]c3)CC1)CO2 ZINC000092648457 1083462800 /nfs/dbraw/zinc/46/28/00/1083462800.db2.gz ITZTWHWYDSFQMS-UHFFFAOYSA-N 2 2 364.276 4.303 20 0 FIADLP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000510950292 1083527862 /nfs/dbraw/zinc/52/78/62/1083527862.db2.gz YXESGXZBEOUUDY-VBKZILBWSA-N 2 2 351.425 4.358 20 0 FIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001167499185 1084015507 /nfs/dbraw/zinc/01/55/07/1084015507.db2.gz DFZSTYBGWNILCI-LEWJYISDSA-N 2 2 353.485 4.315 20 0 FIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001167499185 1084015515 /nfs/dbraw/zinc/01/55/15/1084015515.db2.gz DFZSTYBGWNILCI-LEWJYISDSA-N 2 2 353.485 4.315 20 0 FIADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000511380433 1084096774 /nfs/dbraw/zinc/09/67/74/1084096774.db2.gz RYSJRXBIOSGATH-XVAXZDLZSA-N 2 2 372.553 4.314 20 0 FIADLP Cc1ccc2[nH]c(C[NH2+][C@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)cc2c1C ZINC000472035387 1084125304 /nfs/dbraw/zinc/12/53/04/1084125304.db2.gz QBRPXMSICBADJA-INIZCTEOSA-N 2 2 350.510 4.383 20 0 FIADLP COc1ccccc1C1([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000647233104 1084130810 /nfs/dbraw/zinc/13/08/10/1084130810.db2.gz SVYISGDPDXDYGS-UHFFFAOYSA-N 2 2 368.496 4.120 20 0 FIADLP Brc1cscc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309681819 1084132838 /nfs/dbraw/zinc/13/28/38/1084132838.db2.gz BCULQRVTTUZRPF-OAHLLOKOSA-N 2 2 365.340 4.122 20 0 FIADLP Brc1cscc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309681819 1084132845 /nfs/dbraw/zinc/13/28/45/1084132845.db2.gz BCULQRVTTUZRPF-OAHLLOKOSA-N 2 2 365.340 4.122 20 0 FIADLP CCc1cccc2cc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)oc21 ZINC000657292621 1084269067 /nfs/dbraw/zinc/26/90/67/1084269067.db2.gz AWDRVKFJQQJHKL-UHFFFAOYSA-N 2 2 364.489 4.117 20 0 FIADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1CCCOC1 ZINC000511048781 1084365902 /nfs/dbraw/zinc/36/59/02/1084365902.db2.gz PMVXDUGBBOVPLF-GMHONNGPSA-N 2 2 364.533 4.059 20 0 FIADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1CCCOC1 ZINC000511048781 1084365913 /nfs/dbraw/zinc/36/59/13/1084365913.db2.gz PMVXDUGBBOVPLF-GMHONNGPSA-N 2 2 364.533 4.059 20 0 FIADLP CC[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000511054092 1084432227 /nfs/dbraw/zinc/43/22/27/1084432227.db2.gz ILKQPFFGEREAQJ-UEQSERJNSA-N 2 2 364.533 4.059 20 0 FIADLP CC[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000511054092 1084432232 /nfs/dbraw/zinc/43/22/32/1084432232.db2.gz ILKQPFFGEREAQJ-UEQSERJNSA-N 2 2 364.533 4.059 20 0 FIADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000472138891 1084488023 /nfs/dbraw/zinc/48/80/23/1084488023.db2.gz STSFOYJQYWFZHF-HSZRJFAPSA-N 2 2 364.533 4.303 20 0 FIADLP C[C@@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000467185403 1084659212 /nfs/dbraw/zinc/65/92/12/1084659212.db2.gz FFKOTSKFTDTLDX-SJORKVTESA-N 2 2 372.944 4.268 20 0 FIADLP C[C@@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000467185403 1084659215 /nfs/dbraw/zinc/65/92/15/1084659215.db2.gz FFKOTSKFTDTLDX-SJORKVTESA-N 2 2 372.944 4.268 20 0 FIADLP Cc1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c(OC(C)(C)C)c1 ZINC000657390042 1084856028 /nfs/dbraw/zinc/85/60/28/1084856028.db2.gz ROCXBVJITQBFNA-UHFFFAOYSA-N 2 2 350.466 4.043 20 0 FIADLP CCCC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000158904021 1085057107 /nfs/dbraw/zinc/05/71/07/1085057107.db2.gz NUZRYSGHYZIBHC-QGZVFWFLSA-N 2 2 362.477 4.462 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OCC2CC2)C[C@H]1C ZINC001167589976 1085247752 /nfs/dbraw/zinc/24/77/52/1085247752.db2.gz LVEISXIMZWIUQU-BEFAXECRSA-N 2 2 350.934 4.433 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OCC2CC2)C[C@H]1C ZINC001167589976 1085247762 /nfs/dbraw/zinc/24/77/62/1085247762.db2.gz LVEISXIMZWIUQU-BEFAXECRSA-N 2 2 350.934 4.433 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2OCC2CC2)C[C@H]1C ZINC001167589976 1085247776 /nfs/dbraw/zinc/24/77/76/1085247776.db2.gz LVEISXIMZWIUQU-BEFAXECRSA-N 2 2 350.934 4.433 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OCC2CC2)C[C@H]1C ZINC001167589976 1085247785 /nfs/dbraw/zinc/24/77/85/1085247785.db2.gz LVEISXIMZWIUQU-BEFAXECRSA-N 2 2 350.934 4.433 20 0 FIADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651730233 1085424963 /nfs/dbraw/zinc/42/49/63/1085424963.db2.gz DNBYHIZJBAYBPA-IBGZPJMESA-N 2 2 367.537 4.289 20 0 FIADLP CC[NH+](CC)CCOC1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000075007525 1085510237 /nfs/dbraw/zinc/51/02/37/1085510237.db2.gz LRAIIQDSCIDSOD-UHFFFAOYSA-N 2 2 365.587 4.124 20 0 FIADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NC3c4ccccc4-c4ccccc43)c2)C1 ZINC001167777598 1085529598 /nfs/dbraw/zinc/52/95/98/1085529598.db2.gz ROMVMHSAUAGOPX-GOSISDBHSA-N 2 2 355.485 4.402 20 0 FIADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NC3c4ccccc4-c4ccccc43)c2)C1 ZINC001167777598 1085529607 /nfs/dbraw/zinc/52/96/07/1085529607.db2.gz ROMVMHSAUAGOPX-GOSISDBHSA-N 2 2 355.485 4.402 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Cl)c1F ZINC000161699581 1085915405 /nfs/dbraw/zinc/91/54/05/1085915405.db2.gz WGDCMARTVQIJLP-KDOFPFPSSA-N 2 2 354.897 4.021 20 0 FIADLP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1Cl ZINC000582927143 1085929820 /nfs/dbraw/zinc/92/98/20/1085929820.db2.gz STEYOLCBUXAFST-LNKGRISISA-N 2 2 351.966 4.041 20 0 FIADLP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1Cl ZINC000582927143 1085929824 /nfs/dbraw/zinc/92/98/24/1085929824.db2.gz STEYOLCBUXAFST-LNKGRISISA-N 2 2 351.966 4.041 20 0 FIADLP CC1(C)C[C@@]1(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000663370141 1086468488 /nfs/dbraw/zinc/46/84/88/1086468488.db2.gz WSSDEXQVQMFMCU-LJQANCHMSA-N 2 2 354.460 4.361 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000155410624 1086515425 /nfs/dbraw/zinc/51/54/25/1086515425.db2.gz DNEKDEMXSSHRLO-LSTHTHJFSA-N 2 2 353.535 4.119 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000155410624 1086515437 /nfs/dbraw/zinc/51/54/37/1086515437.db2.gz DNEKDEMXSSHRLO-LSTHTHJFSA-N 2 2 353.535 4.119 20 0 FIADLP Cc1ccc([C@H](CNc2cc[nH+]c3cc(F)ccc23)[NH+]2CCOCC2)cc1 ZINC000500443687 1086535428 /nfs/dbraw/zinc/53/54/28/1086535428.db2.gz QWQFXLKPMZTRQS-QFIPXVFZSA-N 2 2 365.452 4.168 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000165550767 1086536826 /nfs/dbraw/zinc/53/68/26/1086536826.db2.gz LYBXJEPTPYGUER-AUSIDOKSSA-N 3 2 374.532 4.171 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000165550767 1086536832 /nfs/dbraw/zinc/53/68/32/1086536832.db2.gz LYBXJEPTPYGUER-AUSIDOKSSA-N 3 2 374.532 4.171 20 0 FIADLP CCSc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000535990522 1086540989 /nfs/dbraw/zinc/54/09/89/1086540989.db2.gz DOLNGFWMPAODIN-GOSISDBHSA-N 2 2 370.562 4.482 20 0 FIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728562366 1086550397 /nfs/dbraw/zinc/55/03/97/1086550397.db2.gz MXVFJBSMEPSSRA-DLBZAZTESA-N 2 2 365.591 4.059 20 0 FIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728562366 1086550403 /nfs/dbraw/zinc/55/04/03/1086550403.db2.gz MXVFJBSMEPSSRA-DLBZAZTESA-N 2 2 365.591 4.059 20 0 FIADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000162887153 1086565920 /nfs/dbraw/zinc/56/59/20/1086565920.db2.gz UCOGUWIPQVDPPV-OAHLLOKOSA-N 2 2 367.522 4.451 20 0 FIADLP Nc1cccc2c1cc[nH+]c2NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000663482392 1086595658 /nfs/dbraw/zinc/59/56/58/1086595658.db2.gz LISVRGLREYYGMM-OAHLLOKOSA-N 2 2 352.507 4.203 20 0 FIADLP Nc1cccc2c1cc[nH+]c2NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000663482392 1086595669 /nfs/dbraw/zinc/59/56/69/1086595669.db2.gz LISVRGLREYYGMM-OAHLLOKOSA-N 2 2 352.507 4.203 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)Sc3sccc32)cn1 ZINC000126361365 1086613757 /nfs/dbraw/zinc/61/37/57/1086613757.db2.gz MESGKKPIWBJYLW-BLLLJJGKSA-N 2 2 356.520 4.352 20 0 FIADLP c1cn(-c2ccc(-c3noc([C@@H]4CC[C@@H](c5ccccc5)C[NH2+]4)n3)cc2)c[nH+]1 ZINC001211577612 1086616747 /nfs/dbraw/zinc/61/67/47/1086616747.db2.gz VYEXCTMBZAXGPF-QUCCMNQESA-N 2 2 371.444 4.131 20 0 FIADLP COc1ccc(-c2ccc(C[NH2+]Cc3ncc(C[NH+](C)C)s3)s2)cc1 ZINC000512038867 1086684311 /nfs/dbraw/zinc/68/43/11/1086684311.db2.gz VTEOBSAHGYAGAR-UHFFFAOYSA-N 2 2 373.547 4.232 20 0 FIADLP C[C@H]1C[N@H+](CCC[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CCCO1 ZINC000432423361 1086751946 /nfs/dbraw/zinc/75/19/46/1086751946.db2.gz JMMDHQOAFHNGTO-PGRDOPGGSA-N 2 2 356.485 4.006 20 0 FIADLP C[C@H]1C[N@@H+](CCC[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CCCO1 ZINC000432423361 1086751956 /nfs/dbraw/zinc/75/19/56/1086751956.db2.gz JMMDHQOAFHNGTO-PGRDOPGGSA-N 2 2 356.485 4.006 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000583962087 1087062929 /nfs/dbraw/zinc/06/29/29/1087062929.db2.gz CZRPDDHNXUUTRI-UHFFFAOYSA-N 2 2 368.569 4.351 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000583962087 1087062933 /nfs/dbraw/zinc/06/29/33/1087062933.db2.gz CZRPDDHNXUUTRI-UHFFFAOYSA-N 2 2 368.569 4.351 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1Cl ZINC000151323110 1087088375 /nfs/dbraw/zinc/08/83/75/1087088375.db2.gz BDLVZWDIJIOWLR-OAHLLOKOSA-N 2 2 355.869 4.444 20 0 FIADLP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080958572 1087288901 /nfs/dbraw/zinc/28/89/01/1087288901.db2.gz KCWZWLGWLRGMFZ-IBGZPJMESA-N 2 2 360.461 4.042 20 0 FIADLP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080958572 1087288907 /nfs/dbraw/zinc/28/89/07/1087288907.db2.gz KCWZWLGWLRGMFZ-IBGZPJMESA-N 2 2 360.461 4.042 20 0 FIADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092072641 1087437801 /nfs/dbraw/zinc/43/78/01/1087437801.db2.gz YSGKCGWCPBKCIV-QGZVFWFLSA-N 2 2 363.509 4.273 20 0 FIADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092072641 1087437804 /nfs/dbraw/zinc/43/78/04/1087437804.db2.gz YSGKCGWCPBKCIV-QGZVFWFLSA-N 2 2 363.509 4.273 20 0 FIADLP COC[C@@H](CC1CCOCC1)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000657886013 1087535338 /nfs/dbraw/zinc/53/53/38/1087535338.db2.gz CFTOOSFGWPKVKB-DENIHFKCSA-N 2 2 374.569 4.071 20 0 FIADLP CC[N@H+](Cc1csc(-c2ccco2)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456738 1087573123 /nfs/dbraw/zinc/57/31/23/1087573123.db2.gz SPLBTRKEXOVQJY-UHFFFAOYSA-N 2 2 355.507 4.487 20 0 FIADLP CC[N@@H+](Cc1csc(-c2ccco2)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456738 1087573127 /nfs/dbraw/zinc/57/31/27/1087573127.db2.gz SPLBTRKEXOVQJY-UHFFFAOYSA-N 2 2 355.507 4.487 20 0 FIADLP C[N@@H+](Cc1ncccc1C(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336765 1087598156 /nfs/dbraw/zinc/59/81/56/1087598156.db2.gz ARGSAQSQFPPDOK-KRWDZBQOSA-N 2 2 363.427 4.054 20 0 FIADLP C[N@H+](Cc1ncccc1C(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336765 1087598158 /nfs/dbraw/zinc/59/81/58/1087598158.db2.gz ARGSAQSQFPPDOK-KRWDZBQOSA-N 2 2 363.427 4.054 20 0 FIADLP C[NH+](Cc1ncccc1C(F)(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336765 1087598160 /nfs/dbraw/zinc/59/81/60/1087598160.db2.gz ARGSAQSQFPPDOK-KRWDZBQOSA-N 2 2 363.427 4.054 20 0 FIADLP C[NH+](Cc1ncccc1C(F)(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336765 1087598165 /nfs/dbraw/zinc/59/81/65/1087598165.db2.gz ARGSAQSQFPPDOK-KRWDZBQOSA-N 2 2 363.427 4.054 20 0 FIADLP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000511302647 1087606366 /nfs/dbraw/zinc/60/63/66/1087606366.db2.gz SSOLUXQYMWPXID-UHFFFAOYSA-N 2 2 362.477 4.357 20 0 FIADLP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000511302647 1087606368 /nfs/dbraw/zinc/60/63/68/1087606368.db2.gz SSOLUXQYMWPXID-UHFFFAOYSA-N 2 2 362.477 4.357 20 0 FIADLP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000657978321 1087687689 /nfs/dbraw/zinc/68/76/89/1087687689.db2.gz BOEJXIJRIBKAIY-DGCLKSJQSA-N 2 2 357.807 4.091 20 0 FIADLP CC[N@@H+](Cc1cnc(C2CC2)s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818848 1087691667 /nfs/dbraw/zinc/69/16/67/1087691667.db2.gz DLKYTLBYYLMKEA-SFHVURJKSA-N 2 2 355.551 4.365 20 0 FIADLP CC[N@H+](Cc1cnc(C2CC2)s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818848 1087691669 /nfs/dbraw/zinc/69/16/69/1087691669.db2.gz DLKYTLBYYLMKEA-SFHVURJKSA-N 2 2 355.551 4.365 20 0 FIADLP CC[NH+](Cc1cnc(C2CC2)s1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818848 1087691671 /nfs/dbraw/zinc/69/16/71/1087691671.db2.gz DLKYTLBYYLMKEA-SFHVURJKSA-N 2 2 355.551 4.365 20 0 FIADLP CC[NH+](Cc1cnc(C2CC2)s1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818848 1087691673 /nfs/dbraw/zinc/69/16/73/1087691673.db2.gz DLKYTLBYYLMKEA-SFHVURJKSA-N 2 2 355.551 4.365 20 0 FIADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H](Cn3cc[nH+]c3)c3ccc(C)cc3C)C[C@H]2C1 ZINC000424303902 1087929171 /nfs/dbraw/zinc/92/91/71/1087929171.db2.gz PQSCGJGMPGCUSO-BFUACXKISA-N 2 2 353.510 4.034 20 0 FIADLP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134372158 1087999906 /nfs/dbraw/zinc/99/99/06/1087999906.db2.gz AEXOUOOWTGQPER-QGZVFWFLSA-N 2 2 357.325 4.071 20 0 FIADLP Cc1ccc(OCc2nc(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)cs2)cc1 ZINC000414812402 1088223941 /nfs/dbraw/zinc/22/39/41/1088223941.db2.gz REZNXASVQHYTQC-INIZCTEOSA-N 2 2 367.518 4.340 20 0 FIADLP C[NH+](C/C=C/C[N@@H+](C)Cc1ccc(F)cc1F)Cc1ccc(F)cc1F ZINC000613582119 1088667936 /nfs/dbraw/zinc/66/79/36/1088667936.db2.gz DIPVXTKSSURJHP-ONEGZZNKSA-N 2 2 366.402 4.363 20 0 FIADLP C[NH+](C/C=C/C[N@H+](C)Cc1ccc(F)cc1F)Cc1ccc(F)cc1F ZINC000613582119 1088667942 /nfs/dbraw/zinc/66/79/42/1088667942.db2.gz DIPVXTKSSURJHP-ONEGZZNKSA-N 2 2 366.402 4.363 20 0 FIADLP CC(C)C[C@H]([NH3+])c1noc([C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000414617343 1088902514 /nfs/dbraw/zinc/90/25/14/1088902514.db2.gz LFHWJPGEFDHTHM-RDJZCZTQSA-N 2 2 357.502 4.090 20 0 FIADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC([NH+](C)C)CC1 ZINC000434671404 1088936738 /nfs/dbraw/zinc/93/67/38/1088936738.db2.gz HSTLUKNVJHSAMQ-QGZVFWFLSA-N 2 2 351.494 4.026 20 0 FIADLP CCC(CC)n1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000434684653 1088952727 /nfs/dbraw/zinc/95/27/27/1088952727.db2.gz JSGOINKQZJLRCE-UHFFFAOYSA-N 2 2 355.530 4.157 20 0 FIADLP Brc1ccccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434684744 1088952972 /nfs/dbraw/zinc/95/29/72/1088952972.db2.gz MPRULHYUSIYYOD-UHFFFAOYSA-N 2 2 374.326 4.362 20 0 FIADLP CC[C@H](c1ccc(F)cc1F)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434736774 1089020428 /nfs/dbraw/zinc/02/04/28/1089020428.db2.gz HPFUQYQSSRKFBJ-DQLDELGASA-N 2 2 359.464 4.436 20 0 FIADLP CC[C@H](c1ccc(F)cc1F)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434736774 1089020442 /nfs/dbraw/zinc/02/04/42/1089020442.db2.gz HPFUQYQSSRKFBJ-DQLDELGASA-N 2 2 359.464 4.436 20 0 FIADLP CC[C@H](c1ccc(F)cc1F)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434736774 1089020457 /nfs/dbraw/zinc/02/04/57/1089020457.db2.gz HPFUQYQSSRKFBJ-DQLDELGASA-N 2 2 359.464 4.436 20 0 FIADLP CC[C@H](c1ccc(F)cc1F)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434736774 1089020473 /nfs/dbraw/zinc/02/04/73/1089020473.db2.gz HPFUQYQSSRKFBJ-DQLDELGASA-N 2 2 359.464 4.436 20 0 FIADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CCc2c1cccc2Cl ZINC000434735651 1089020757 /nfs/dbraw/zinc/02/07/57/1089020757.db2.gz DFCFQTLQKOOXCR-DQLDELGASA-N 2 2 355.913 4.347 20 0 FIADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CCc2c1cccc2Cl ZINC000434735651 1089020773 /nfs/dbraw/zinc/02/07/73/1089020773.db2.gz DFCFQTLQKOOXCR-DQLDELGASA-N 2 2 355.913 4.347 20 0 FIADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@@H]1CCc2c1cccc2Cl ZINC000434735651 1089020790 /nfs/dbraw/zinc/02/07/90/1089020790.db2.gz DFCFQTLQKOOXCR-DQLDELGASA-N 2 2 355.913 4.347 20 0 FIADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@@H]1CCc2c1cccc2Cl ZINC000434735651 1089020808 /nfs/dbraw/zinc/02/08/08/1089020808.db2.gz DFCFQTLQKOOXCR-DQLDELGASA-N 2 2 355.913 4.347 20 0 FIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000415072054 1089129243 /nfs/dbraw/zinc/12/92/43/1089129243.db2.gz XMMQXXZIGBUSST-QHCPKHFHSA-N 2 2 361.489 4.013 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235994 1089315140 /nfs/dbraw/zinc/31/51/40/1089315140.db2.gz TYVMBANGISUOPS-HCUBDLJJSA-N 2 2 364.533 4.059 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235994 1089315155 /nfs/dbraw/zinc/31/51/55/1089315155.db2.gz TYVMBANGISUOPS-HCUBDLJJSA-N 2 2 364.533 4.059 20 0 FIADLP CC(C)Oc1cccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435391518 1089600319 /nfs/dbraw/zinc/60/03/19/1089600319.db2.gz SSVWYKQVAUAVRY-NRFANRHFSA-N 2 2 353.510 4.013 20 0 FIADLP CC(C)Oc1cccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435391518 1089600330 /nfs/dbraw/zinc/60/03/30/1089600330.db2.gz SSVWYKQVAUAVRY-NRFANRHFSA-N 2 2 353.510 4.013 20 0 FIADLP Cn1c[nH+]cc1CCC[N@@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000515178299 1089857250 /nfs/dbraw/zinc/85/72/50/1089857250.db2.gz LLYBXPKOSJCMHI-QGZVFWFLSA-N 2 2 369.456 4.162 20 0 FIADLP Cn1c[nH+]cc1CCC[N@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000515178299 1089857269 /nfs/dbraw/zinc/85/72/69/1089857269.db2.gz LLYBXPKOSJCMHI-QGZVFWFLSA-N 2 2 369.456 4.162 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425402053 1089894540 /nfs/dbraw/zinc/89/45/40/1089894540.db2.gz HUAFXDLVJVFVGK-TZIWHRDSSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425402053 1089894562 /nfs/dbraw/zinc/89/45/62/1089894562.db2.gz HUAFXDLVJVFVGK-TZIWHRDSSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425402053 1089894584 /nfs/dbraw/zinc/89/45/84/1089894584.db2.gz HUAFXDLVJVFVGK-TZIWHRDSSA-N 2 2 364.537 4.230 20 0 FIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425402053 1089894606 /nfs/dbraw/zinc/89/46/06/1089894606.db2.gz HUAFXDLVJVFVGK-TZIWHRDSSA-N 2 2 364.537 4.230 20 0 FIADLP Brc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000188092498 1090167303 /nfs/dbraw/zinc/16/73/03/1090167303.db2.gz FCKZAMZLOUEJJX-IBGZPJMESA-N 2 2 370.294 4.415 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000893198071 1090281350 /nfs/dbraw/zinc/28/13/50/1090281350.db2.gz BDLHOECGZIMDSD-FVWXCPNNSA-N 2 2 371.475 4.421 20 0 FIADLP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](Cc4cnc5ccccc5n4)CC[C@H]32)cc1 ZINC000660011638 1090406305 /nfs/dbraw/zinc/40/63/05/1090406305.db2.gz PRSOBPTZYYHOFW-HYBUGGRVSA-N 2 2 372.516 4.116 20 0 FIADLP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](Cc4cnc5ccccc5n4)CC[C@H]32)cc1 ZINC000660011638 1090406310 /nfs/dbraw/zinc/40/63/10/1090406310.db2.gz PRSOBPTZYYHOFW-HYBUGGRVSA-N 2 2 372.516 4.116 20 0 FIADLP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](Cc4cnc5ccccc5n4)CC[C@H]32)cc1 ZINC000660011638 1090406315 /nfs/dbraw/zinc/40/63/15/1090406315.db2.gz PRSOBPTZYYHOFW-HYBUGGRVSA-N 2 2 372.516 4.116 20 0 FIADLP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](Cc4cnc5ccccc5n4)CC[C@H]32)cc1 ZINC000660011638 1090406320 /nfs/dbraw/zinc/40/63/20/1090406320.db2.gz PRSOBPTZYYHOFW-HYBUGGRVSA-N 2 2 372.516 4.116 20 0 FIADLP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](Cc4cnc5ccccc5n4)CC[C@@H]32)cc1 ZINC000660011642 1090406372 /nfs/dbraw/zinc/40/63/72/1090406372.db2.gz PRSOBPTZYYHOFW-YKSBVNFPSA-N 2 2 372.516 4.116 20 0 FIADLP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](Cc4cnc5ccccc5n4)CC[C@@H]32)cc1 ZINC000660011642 1090406376 /nfs/dbraw/zinc/40/63/76/1090406376.db2.gz PRSOBPTZYYHOFW-YKSBVNFPSA-N 2 2 372.516 4.116 20 0 FIADLP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](Cc4cnc5ccccc5n4)CC[C@@H]32)cc1 ZINC000660011642 1090406384 /nfs/dbraw/zinc/40/63/84/1090406384.db2.gz PRSOBPTZYYHOFW-YKSBVNFPSA-N 2 2 372.516 4.116 20 0 FIADLP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](Cc4cnc5ccccc5n4)CC[C@@H]32)cc1 ZINC000660011642 1090406387 /nfs/dbraw/zinc/40/63/87/1090406387.db2.gz PRSOBPTZYYHOFW-YKSBVNFPSA-N 2 2 372.516 4.116 20 0 FIADLP Cc1cc(Br)c(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)s1 ZINC001648926894 1090617935 /nfs/dbraw/zinc/61/79/35/1090617935.db2.gz BSUXGJQAHBASKO-UHFFFAOYSA-N 2 2 362.296 4.295 20 0 FIADLP c1cn(CCCC2CC[NH+](CCc3nsc4ccccc43)CC2)c[nH+]1 ZINC000660244124 1090933636 /nfs/dbraw/zinc/93/36/36/1090933636.db2.gz DTWXISMQCXKFEQ-UHFFFAOYSA-N 2 2 354.523 4.228 20 0 FIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000319351075 1091117732 /nfs/dbraw/zinc/11/77/32/1091117732.db2.gz MUBZAYWLCKKPLW-DLBZAZTESA-N 2 2 362.315 4.337 20 0 FIADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000390525823 1091182267 /nfs/dbraw/zinc/18/22/67/1091182267.db2.gz IYXDJGQIIOCBCY-QPPBQGQZSA-N 3 2 365.565 4.009 20 0 FIADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000390525823 1091182274 /nfs/dbraw/zinc/18/22/74/1091182274.db2.gz IYXDJGQIIOCBCY-QPPBQGQZSA-N 3 2 365.565 4.009 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(F)c1OC(F)F ZINC000660417441 1091348743 /nfs/dbraw/zinc/34/87/43/1091348743.db2.gz ZWKUZDNLJMJRFB-UHFFFAOYSA-N 2 2 355.404 4.098 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(F)c1OC(F)F ZINC000660417441 1091348752 /nfs/dbraw/zinc/34/87/52/1091348752.db2.gz ZWKUZDNLJMJRFB-UHFFFAOYSA-N 2 2 355.404 4.098 20 0 FIADLP CCc1cc(OC)ccc1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000500407567 1091451428 /nfs/dbraw/zinc/45/14/28/1091451428.db2.gz XPYAMMQEGAQLOP-UHFFFAOYSA-N 2 2 370.459 4.153 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000512192291 1091852109 /nfs/dbraw/zinc/85/21/09/1091852109.db2.gz CVWFFFOOSLVLSR-CTNGQTDRSA-N 2 2 366.553 4.267 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000512192291 1091852116 /nfs/dbraw/zinc/85/21/16/1091852116.db2.gz CVWFFFOOSLVLSR-CTNGQTDRSA-N 2 2 366.553 4.267 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512192291 1091852125 /nfs/dbraw/zinc/85/21/25/1091852125.db2.gz CVWFFFOOSLVLSR-CTNGQTDRSA-N 2 2 366.553 4.267 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512192291 1091852129 /nfs/dbraw/zinc/85/21/29/1091852129.db2.gz CVWFFFOOSLVLSR-CTNGQTDRSA-N 2 2 366.553 4.267 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000512195714 1091888165 /nfs/dbraw/zinc/88/81/65/1091888165.db2.gz LYXBXBOVADJRQL-ROUUACIJSA-N 2 2 370.516 4.302 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000512195714 1091888195 /nfs/dbraw/zinc/88/81/95/1091888195.db2.gz LYXBXBOVADJRQL-ROUUACIJSA-N 2 2 370.516 4.302 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000512195714 1091888203 /nfs/dbraw/zinc/88/82/03/1091888203.db2.gz LYXBXBOVADJRQL-ROUUACIJSA-N 2 2 370.516 4.302 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000512195714 1091888210 /nfs/dbraw/zinc/88/82/10/1091888210.db2.gz LYXBXBOVADJRQL-ROUUACIJSA-N 2 2 370.516 4.302 20 0 FIADLP Clc1ccc(Br)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000512365092 1092164154 /nfs/dbraw/zinc/16/41/54/1092164154.db2.gz RUMIREQLWPHMJF-UHFFFAOYSA-N 2 2 354.679 4.205 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000474026378 1092254887 /nfs/dbraw/zinc/25/48/87/1092254887.db2.gz DSTUOBUGUZNIOE-FXAWDEMLSA-N 2 2 364.489 4.442 20 0 FIADLP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000474026378 1092254894 /nfs/dbraw/zinc/25/48/94/1092254894.db2.gz DSTUOBUGUZNIOE-FXAWDEMLSA-N 2 2 364.489 4.442 20 0 FIADLP CCc1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)o1 ZINC000428218574 1092267791 /nfs/dbraw/zinc/26/77/91/1092267791.db2.gz MPVGHVZXEDMQPJ-JOCHJYFZSA-N 2 2 353.510 4.034 20 0 FIADLP CCc1nc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)o1 ZINC000428218574 1092267795 /nfs/dbraw/zinc/26/77/95/1092267795.db2.gz MPVGHVZXEDMQPJ-JOCHJYFZSA-N 2 2 353.510 4.034 20 0 FIADLP CCc1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)o1 ZINC000428218574 1092267815 /nfs/dbraw/zinc/26/78/15/1092267815.db2.gz MPVGHVZXEDMQPJ-JOCHJYFZSA-N 2 2 353.510 4.034 20 0 FIADLP CCc1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)o1 ZINC000428218574 1092267830 /nfs/dbraw/zinc/26/78/30/1092267830.db2.gz MPVGHVZXEDMQPJ-JOCHJYFZSA-N 2 2 353.510 4.034 20 0 FIADLP C[C@H]1CC([NH+]2C(C)(C)CC([NH3+])CC2(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012463 1092339017 /nfs/dbraw/zinc/33/90/17/1092339017.db2.gz ANVXJIAWGSJMRN-ROUUACIJSA-N 3 2 357.586 4.408 20 0 FIADLP CC[N@H+](C)[C@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)c1ccccc1 ZINC000500794635 1092579685 /nfs/dbraw/zinc/57/96/85/1092579685.db2.gz KKQRLHWDKNCVCP-IBGZPJMESA-N 2 2 359.901 4.033 20 0 FIADLP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)c1ccccc1 ZINC000500794635 1092579691 /nfs/dbraw/zinc/57/96/91/1092579691.db2.gz KKQRLHWDKNCVCP-IBGZPJMESA-N 2 2 359.901 4.033 20 0 FIADLP COC(=O)c1cc([C@@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)oc1C ZINC000432836025 1092583897 /nfs/dbraw/zinc/58/38/97/1092583897.db2.gz RNTRCYVLDUWWRR-AEFFLSMTSA-N 2 2 362.514 4.024 20 0 FIADLP COC(=O)c1cc([C@@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)oc1C ZINC000432836025 1092583907 /nfs/dbraw/zinc/58/39/07/1092583907.db2.gz RNTRCYVLDUWWRR-AEFFLSMTSA-N 2 2 362.514 4.024 20 0 FIADLP COc1c(F)cccc1C[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001143532423 1092682761 /nfs/dbraw/zinc/68/27/61/1092682761.db2.gz HQWOAAFOYNWZND-ONTIZHBOSA-N 2 2 368.496 4.445 20 0 FIADLP COc1c(F)cccc1C[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001143532423 1092682769 /nfs/dbraw/zinc/68/27/69/1092682769.db2.gz HQWOAAFOYNWZND-ONTIZHBOSA-N 2 2 368.496 4.445 20 0 FIADLP COc1c(F)cccc1C[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001143532423 1092682783 /nfs/dbraw/zinc/68/27/83/1092682783.db2.gz HQWOAAFOYNWZND-ONTIZHBOSA-N 2 2 368.496 4.445 20 0 FIADLP COc1c(F)cccc1C[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001143532423 1092682788 /nfs/dbraw/zinc/68/27/88/1092682788.db2.gz HQWOAAFOYNWZND-ONTIZHBOSA-N 2 2 368.496 4.445 20 0 FIADLP C[C@@H]([NH2+]C1(C[NH2+]C2CCC(C(F)F)CC2)CCOCC1)c1ccccc1 ZINC000442784278 1092761264 /nfs/dbraw/zinc/76/12/64/1092761264.db2.gz RVDWOTMJELMGKP-IPJUCJBFSA-N 2 2 366.496 4.300 20 0 FIADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000442857992 1092828837 /nfs/dbraw/zinc/82/88/37/1092828837.db2.gz HHNSTSGQMGPPCT-UYAOXDASSA-N 2 2 370.562 4.350 20 0 FIADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000442857992 1092828849 /nfs/dbraw/zinc/82/88/49/1092828849.db2.gz HHNSTSGQMGPPCT-UYAOXDASSA-N 2 2 370.562 4.350 20 0 FIADLP c1sc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1C1CC1 ZINC000512610964 1092988968 /nfs/dbraw/zinc/98/89/68/1092988968.db2.gz GQTPCBMLUAWHHH-XUVXKRRUSA-N 2 2 367.562 4.411 20 0 FIADLP c1sc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1C1CC1 ZINC000512610964 1092988972 /nfs/dbraw/zinc/98/89/72/1092988972.db2.gz GQTPCBMLUAWHHH-XUVXKRRUSA-N 2 2 367.562 4.411 20 0 FIADLP Fc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000512647684 1093069396 /nfs/dbraw/zinc/06/93/96/1093069396.db2.gz JFOAYSUHVAYMMQ-GOSISDBHSA-N 2 2 363.358 4.420 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCC(F)(F)CC1 ZINC000474073817 1093188745 /nfs/dbraw/zinc/18/87/45/1093188745.db2.gz PKKFIISLUWYLJI-CVEARBPZSA-N 2 2 351.485 4.411 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000433104440 1093257227 /nfs/dbraw/zinc/25/72/27/1093257227.db2.gz XDHODNQTFDZTRJ-WOJBJXKFSA-N 2 2 360.505 4.440 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168022653 1093313955 /nfs/dbraw/zinc/31/39/55/1093313955.db2.gz AVOOOVGUTFYMBP-VXZSXMOLSA-N 3 2 355.570 4.033 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168022653 1093313962 /nfs/dbraw/zinc/31/39/62/1093313962.db2.gz AVOOOVGUTFYMBP-VXZSXMOLSA-N 3 2 355.570 4.033 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168022653 1093313971 /nfs/dbraw/zinc/31/39/71/1093313971.db2.gz AVOOOVGUTFYMBP-VXZSXMOLSA-N 3 2 355.570 4.033 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168022653 1093313982 /nfs/dbraw/zinc/31/39/82/1093313982.db2.gz AVOOOVGUTFYMBP-VXZSXMOLSA-N 3 2 355.570 4.033 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(-c2ncco2)cc1F ZINC000411636934 1093400999 /nfs/dbraw/zinc/40/09/99/1093400999.db2.gz YHDGMLDFWBSYNT-UHFFFAOYSA-N 2 2 356.445 4.152 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(-c2ncco2)cc1F ZINC000411636934 1093401005 /nfs/dbraw/zinc/40/10/05/1093401005.db2.gz YHDGMLDFWBSYNT-UHFFFAOYSA-N 2 2 356.445 4.152 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513226147 1094021028 /nfs/dbraw/zinc/02/10/28/1094021028.db2.gz HKPVNBQHCPFUOJ-PGRDOPGGSA-N 3 2 369.528 4.030 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000513226147 1094021036 /nfs/dbraw/zinc/02/10/36/1094021036.db2.gz HKPVNBQHCPFUOJ-PGRDOPGGSA-N 3 2 369.528 4.030 20 0 FIADLP C[C@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158824694 1094036424 /nfs/dbraw/zinc/03/64/24/1094036424.db2.gz DWJTZZBLFYNRMQ-GAJHUEQPSA-N 2 2 357.457 4.410 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000513350411 1094073317 /nfs/dbraw/zinc/07/33/17/1094073317.db2.gz HSWGNYLHCNHDKB-DWQJTFDBSA-N 3 2 369.597 4.282 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000513350411 1094073324 /nfs/dbraw/zinc/07/33/24/1094073324.db2.gz HSWGNYLHCNHDKB-DWQJTFDBSA-N 3 2 369.597 4.282 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000513350411 1094073332 /nfs/dbraw/zinc/07/33/32/1094073332.db2.gz HSWGNYLHCNHDKB-DWQJTFDBSA-N 3 2 369.597 4.282 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000513350411 1094073338 /nfs/dbraw/zinc/07/33/38/1094073338.db2.gz HSWGNYLHCNHDKB-DWQJTFDBSA-N 3 2 369.597 4.282 20 0 FIADLP c1nc(-c2ccncc2)sc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513424765 1094115926 /nfs/dbraw/zinc/11/59/26/1094115926.db2.gz KBFGVJMTJJXUFA-GOSISDBHSA-N 2 2 370.566 4.293 20 0 FIADLP c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513424765 1094115928 /nfs/dbraw/zinc/11/59/28/1094115928.db2.gz KBFGVJMTJJXUFA-GOSISDBHSA-N 2 2 370.566 4.293 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3c2c(F)ccc3F)cc1F ZINC000513539567 1094210770 /nfs/dbraw/zinc/21/07/70/1094210770.db2.gz RJNRZDLFKDRERQ-SFHVURJKSA-N 2 2 357.379 4.375 20 0 FIADLP C[N@H+](Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1)C1CC[NH+](CCO)CC1 ZINC000513557660 1094214436 /nfs/dbraw/zinc/21/44/36/1094214436.db2.gz HABRKSUMXAMTGT-UHFFFAOYSA-N 2 2 370.537 4.133 20 0 FIADLP C[N@@H+](Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1)C1CC[NH+](CCO)CC1 ZINC000513557660 1094214444 /nfs/dbraw/zinc/21/44/44/1094214444.db2.gz HABRKSUMXAMTGT-UHFFFAOYSA-N 2 2 370.537 4.133 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(Cl)s2)[C@@H]1c1cnn(C)c1 ZINC000434018653 1094240652 /nfs/dbraw/zinc/24/06/52/1094240652.db2.gz QPOJVZBJAPNETB-KBXCAEBGSA-N 2 2 366.962 4.040 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(Cl)s2)[C@@H]1c1cnn(C)c1 ZINC000434018653 1094240653 /nfs/dbraw/zinc/24/06/53/1094240653.db2.gz QPOJVZBJAPNETB-KBXCAEBGSA-N 2 2 366.962 4.040 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(Cl)s2)[C@@H]1c1cnn(C)c1 ZINC000434018653 1094240655 /nfs/dbraw/zinc/24/06/55/1094240655.db2.gz QPOJVZBJAPNETB-KBXCAEBGSA-N 2 2 366.962 4.040 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(Cl)s2)[C@@H]1c1cnn(C)c1 ZINC000434018653 1094240658 /nfs/dbraw/zinc/24/06/58/1094240658.db2.gz QPOJVZBJAPNETB-KBXCAEBGSA-N 2 2 366.962 4.040 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2Cl)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168036624 1094294803 /nfs/dbraw/zinc/29/48/03/1094294803.db2.gz VIXZYQONZYWNSD-ZRAXVTTISA-N 2 2 372.940 4.405 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2Cl)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036624 1094294811 /nfs/dbraw/zinc/29/48/11/1094294811.db2.gz VIXZYQONZYWNSD-ZRAXVTTISA-N 2 2 372.940 4.405 20 0 FIADLP Clc1ccccc1-c1csc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420378002 1094905612 /nfs/dbraw/zinc/90/56/12/1094905612.db2.gz AWGYTQIBDABVLI-RDTXWAMCSA-N 2 2 361.942 4.428 20 0 FIADLP Clc1ccccc1-c1csc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420378002 1094905617 /nfs/dbraw/zinc/90/56/17/1094905617.db2.gz AWGYTQIBDABVLI-RDTXWAMCSA-N 2 2 361.942 4.428 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1nc(C(C)(C)C)cs1 ZINC000420914784 1095183096 /nfs/dbraw/zinc/18/30/96/1095183096.db2.gz CZIUOSYDCXBNAD-INIZCTEOSA-N 2 2 373.566 4.124 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C2CC2)cc1 ZINC000420973482 1095218232 /nfs/dbraw/zinc/21/82/32/1095218232.db2.gz NHVXMUAUJBPROL-GOSISDBHSA-N 2 2 350.506 4.247 20 0 FIADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000502305342 1095331139 /nfs/dbraw/zinc/33/11/39/1095331139.db2.gz BLQKZYFKCPXHKR-IVZVJUQRSA-N 2 2 357.448 4.390 20 0 FIADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000502305342 1095331156 /nfs/dbraw/zinc/33/11/56/1095331156.db2.gz BLQKZYFKCPXHKR-IVZVJUQRSA-N 2 2 357.448 4.390 20 0 FIADLP Fc1cc2cccnc2c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502330574 1095369669 /nfs/dbraw/zinc/36/96/69/1095369669.db2.gz FYYCWEHQIGWKJU-KRWDZBQOSA-N 2 2 364.468 4.286 20 0 FIADLP Fc1cc2cccnc2c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502330574 1095369687 /nfs/dbraw/zinc/36/96/87/1095369687.db2.gz FYYCWEHQIGWKJU-KRWDZBQOSA-N 2 2 364.468 4.286 20 0 FIADLP CC[NH+]1CCC([NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000421324151 1095522534 /nfs/dbraw/zinc/52/25/34/1095522534.db2.gz HWKHDMBYBILGTD-UHFFFAOYSA-N 2 2 352.526 4.239 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC[N@@H+]1C ZINC000421371461 1095571643 /nfs/dbraw/zinc/57/16/43/1095571643.db2.gz XVQQWCITHDEMNA-YLJYHZDGSA-N 2 2 352.526 4.238 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC[N@H+]1C ZINC000421371461 1095571667 /nfs/dbraw/zinc/57/16/67/1095571667.db2.gz XVQQWCITHDEMNA-YLJYHZDGSA-N 2 2 352.526 4.238 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443991148 1095589526 /nfs/dbraw/zinc/58/95/26/1095589526.db2.gz TVZKJDFCFSIYFK-XJKSGUPXSA-N 2 2 369.456 4.162 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443991148 1095589534 /nfs/dbraw/zinc/58/95/34/1095589534.db2.gz TVZKJDFCFSIYFK-XJKSGUPXSA-N 2 2 369.456 4.162 20 0 FIADLP Clc1ccccc1SCCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987494 1095948649 /nfs/dbraw/zinc/94/86/49/1095948649.db2.gz VKFUXLUFBDVCOO-KRWDZBQOSA-N 2 2 368.974 4.009 20 0 FIADLP Clc1ccccc1SCCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987494 1095948671 /nfs/dbraw/zinc/94/86/71/1095948671.db2.gz VKFUXLUFBDVCOO-KRWDZBQOSA-N 2 2 368.974 4.009 20 0 FIADLP COc1ccc([C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C2CC2)c(F)c1 ZINC000421818358 1095953664 /nfs/dbraw/zinc/95/36/64/1095953664.db2.gz AIJIBNRKBXAPJR-QFIPXVFZSA-N 2 2 365.452 4.320 20 0 FIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1C ZINC000272830143 1096216535 /nfs/dbraw/zinc/21/65/35/1096216535.db2.gz FEOGHPLLOIVZLA-ZWKOTPCHSA-N 2 2 353.510 4.275 20 0 FIADLP Clc1cccc(OCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503388731 1096377072 /nfs/dbraw/zinc/37/70/72/1096377072.db2.gz DVABXNJZHNLQML-INIZCTEOSA-N 2 2 359.901 4.131 20 0 FIADLP Clc1cccc(OCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503388731 1096377080 /nfs/dbraw/zinc/37/70/80/1096377080.db2.gz DVABXNJZHNLQML-INIZCTEOSA-N 2 2 359.901 4.131 20 0 FIADLP Cc1ccccc1OCCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378987 1096379988 /nfs/dbraw/zinc/37/99/88/1096379988.db2.gz UGWWXXVWNBWHJT-LJQANCHMSA-N 2 2 353.510 4.176 20 0 FIADLP Cc1ccccc1OCCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378987 1096379993 /nfs/dbraw/zinc/37/99/93/1096379993.db2.gz UGWWXXVWNBWHJT-LJQANCHMSA-N 2 2 353.510 4.176 20 0 FIADLP CCc1cccc(OCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411893 1096390646 /nfs/dbraw/zinc/39/06/46/1096390646.db2.gz RWULIMVPWJYTTP-LJQANCHMSA-N 2 2 353.510 4.040 20 0 FIADLP CCc1cccc(OCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411893 1096390653 /nfs/dbraw/zinc/39/06/53/1096390653.db2.gz RWULIMVPWJYTTP-LJQANCHMSA-N 2 2 353.510 4.040 20 0 FIADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)c2ccccc21 ZINC000422722827 1096471388 /nfs/dbraw/zinc/47/13/88/1096471388.db2.gz YYFWVQGNRAGPDX-FCHUYYIVSA-N 2 2 363.505 4.440 20 0 FIADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000422804675 1096495272 /nfs/dbraw/zinc/49/52/72/1096495272.db2.gz IDIHNZJSXUGMIP-LRDDRELGSA-N 2 2 369.456 4.307 20 0 FIADLP Fc1cccc([C@H]([NH2+]C2CC[NH2+]CC2)c2cccc(Br)c2)c1 ZINC000422872181 1096517264 /nfs/dbraw/zinc/51/72/64/1096517264.db2.gz GBNHBVTXFXYNDP-GOSISDBHSA-N 2 2 363.274 4.019 20 0 FIADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000422957367 1096538701 /nfs/dbraw/zinc/53/87/01/1096538701.db2.gz SXQHFBBHCDVYDW-LBPRGKRZSA-N 2 2 350.293 4.495 20 0 FIADLP C[C@H]([NH3+])CC[NH2+][C@@H](c1ccccc1)c1cc(Br)ccc1F ZINC000423226078 1096622566 /nfs/dbraw/zinc/62/25/66/1096622566.db2.gz PISBABLSDYACLE-SJCJKPOMSA-N 2 2 351.263 4.005 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436297238 1098910671 /nfs/dbraw/zinc/91/06/71/1098910671.db2.gz VBMNJDBKKXNYDA-HNNXBMFYSA-N 2 2 352.457 4.017 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436303236 1098915910 /nfs/dbraw/zinc/91/59/10/1098915910.db2.gz WLSYLMQSWGBFDJ-KCOOCBJMSA-N 2 2 369.940 4.481 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436303236 1098915912 /nfs/dbraw/zinc/91/59/12/1098915912.db2.gz WLSYLMQSWGBFDJ-KCOOCBJMSA-N 2 2 369.940 4.481 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C ZINC000533310487 1098946423 /nfs/dbraw/zinc/94/64/23/1098946423.db2.gz SOWGOAVBZAOUEI-PGRDOPGGSA-N 2 2 365.521 4.244 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C ZINC000533310487 1098946427 /nfs/dbraw/zinc/94/64/27/1098946427.db2.gz SOWGOAVBZAOUEI-PGRDOPGGSA-N 2 2 365.521 4.244 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C ZINC000533310487 1098946430 /nfs/dbraw/zinc/94/64/30/1098946430.db2.gz SOWGOAVBZAOUEI-PGRDOPGGSA-N 2 2 365.521 4.244 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C ZINC000533310487 1098946432 /nfs/dbraw/zinc/94/64/32/1098946432.db2.gz SOWGOAVBZAOUEI-PGRDOPGGSA-N 2 2 365.521 4.244 20 0 FIADLP Cc1ccc2c(CC[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)cn(C)c2c1 ZINC000436413113 1098996369 /nfs/dbraw/zinc/99/63/69/1098996369.db2.gz UAAHZRJHWAMZPR-UHFFFAOYSA-N 2 2 350.491 4.066 20 0 FIADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533426795 1099048882 /nfs/dbraw/zinc/04/88/82/1099048882.db2.gz HOWLKEQBFJPAGL-QGZVFWFLSA-N 2 2 370.493 4.060 20 0 FIADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533426795 1099048896 /nfs/dbraw/zinc/04/88/96/1099048896.db2.gz HOWLKEQBFJPAGL-QGZVFWFLSA-N 2 2 370.493 4.060 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(-c3ccncc3)cc1F)CCC2 ZINC000533565360 1099176244 /nfs/dbraw/zinc/17/62/44/1099176244.db2.gz QHKJYHGEQJRCOY-LJQANCHMSA-N 2 2 350.441 4.060 20 0 FIADLP Cc1cc(C)c(NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)c(C)[nH+]1 ZINC000455466730 1099237516 /nfs/dbraw/zinc/23/75/16/1099237516.db2.gz FTVVJZISPYPHSJ-UHFFFAOYSA-N 2 2 368.525 4.035 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)[nH+]1 ZINC000455471412 1099242556 /nfs/dbraw/zinc/24/25/56/1099242556.db2.gz IPNAMEVXLXYGRY-MJGOQNOKSA-N 2 2 358.530 4.125 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)[nH+]1 ZINC000455471412 1099242564 /nfs/dbraw/zinc/24/25/64/1099242564.db2.gz IPNAMEVXLXYGRY-MJGOQNOKSA-N 2 2 358.530 4.125 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)[nH+]1 ZINC000455471407 1099243308 /nfs/dbraw/zinc/24/33/08/1099243308.db2.gz IPNAMEVXLXYGRY-HKUYNNGSSA-N 2 2 358.530 4.125 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)[nH+]1 ZINC000455471407 1099243325 /nfs/dbraw/zinc/24/33/25/1099243325.db2.gz IPNAMEVXLXYGRY-HKUYNNGSSA-N 2 2 358.530 4.125 20 0 FIADLP Cc1cc(C)c(NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000455528622 1099304189 /nfs/dbraw/zinc/30/41/89/1099304189.db2.gz QUACJMKJJXRSNK-QGZVFWFLSA-N 2 2 360.889 4.085 20 0 FIADLP C[NH+]1CCC([C@H]2CCN(c3cc[nH+]c4c(Br)cccc34)C2)CC1 ZINC000533707497 1099349843 /nfs/dbraw/zinc/34/98/43/1099349843.db2.gz FYPPPTULIKGFPE-HNNXBMFYSA-N 2 2 374.326 4.165 20 0 FIADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459399440 1100106812 /nfs/dbraw/zinc/10/68/12/1100106812.db2.gz LYJQXIYVYBNZNM-MSOLQXFVSA-N 2 2 351.416 4.250 20 0 FIADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459399440 1100106820 /nfs/dbraw/zinc/10/68/20/1100106820.db2.gz LYJQXIYVYBNZNM-MSOLQXFVSA-N 2 2 351.416 4.250 20 0 FIADLP c1ccc(COC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC000459438928 1100176158 /nfs/dbraw/zinc/17/61/58/1100176158.db2.gz SVSPZDWXBUUUBL-HSZRJFAPSA-N 2 2 350.506 4.161 20 0 FIADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000459463059 1100209175 /nfs/dbraw/zinc/20/91/75/1100209175.db2.gz VEBXCARHOSXDIK-UHFFFAOYSA-N 2 2 365.321 4.132 20 0 FIADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000459463059 1100209179 /nfs/dbraw/zinc/20/91/79/1100209179.db2.gz VEBXCARHOSXDIK-UHFFFAOYSA-N 2 2 365.321 4.132 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379644354 1100253417 /nfs/dbraw/zinc/25/34/17/1100253417.db2.gz CCUOOMOEUDJWLK-GBXCKJPGSA-N 2 2 374.532 4.074 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000379644354 1100253419 /nfs/dbraw/zinc/25/34/19/1100253419.db2.gz CCUOOMOEUDJWLK-GBXCKJPGSA-N 2 2 374.532 4.074 20 0 FIADLP CCOc1cc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)ccc1O ZINC000459548520 1100294954 /nfs/dbraw/zinc/29/49/54/1100294954.db2.gz AUAKNLXUXMHDDZ-UGKGYDQZSA-N 2 2 363.461 4.006 20 0 FIADLP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000536841432 1100352771 /nfs/dbraw/zinc/35/27/71/1100352771.db2.gz WDMDCTBJAVFFTQ-ZWKOTPCHSA-N 2 2 353.510 4.275 20 0 FIADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2nc3c(s2)CCC3)CC1 ZINC000459643478 1100383282 /nfs/dbraw/zinc/38/32/82/1100383282.db2.gz CRWODCNDUVXGDR-IRXDYDNUSA-N 2 2 369.578 4.378 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCC[C@H](C(F)(F)F)C3)[nH+]c2)CC1 ZINC000438181817 1100485113 /nfs/dbraw/zinc/48/51/13/1100485113.db2.gz SLQMNRDQTTWDQJ-GJZGRUSLSA-N 2 2 370.463 4.145 20 0 FIADLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000414931676 1100677684 /nfs/dbraw/zinc/67/76/84/1100677684.db2.gz BYSSRJHJDBIVOR-IINYFYTJSA-N 2 2 356.322 4.205 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc(Cl)cs2)[C@@H]1c1cnn(C)c1 ZINC000426150229 1100916084 /nfs/dbraw/zinc/91/60/84/1100916084.db2.gz DWMQDCLDWBHBQL-KBXCAEBGSA-N 2 2 366.962 4.040 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc(Cl)cs2)[C@@H]1c1cnn(C)c1 ZINC000426150229 1100916092 /nfs/dbraw/zinc/91/60/92/1100916092.db2.gz DWMQDCLDWBHBQL-KBXCAEBGSA-N 2 2 366.962 4.040 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc(Cl)cs2)[C@@H]1c1cnn(C)c1 ZINC000426150229 1100916100 /nfs/dbraw/zinc/91/61/00/1100916100.db2.gz DWMQDCLDWBHBQL-KBXCAEBGSA-N 2 2 366.962 4.040 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc(Cl)cs2)[C@@H]1c1cnn(C)c1 ZINC000426150229 1100916101 /nfs/dbraw/zinc/91/61/01/1100916101.db2.gz DWMQDCLDWBHBQL-KBXCAEBGSA-N 2 2 366.962 4.040 20 0 FIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000178058910 1101515494 /nfs/dbraw/zinc/51/54/94/1101515494.db2.gz LQMCMCKEQKNITG-HZPDHXFCSA-N 2 2 366.534 4.442 20 0 FIADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(-c3cccc(F)c3)s2)C[C@H](C)O1 ZINC000509610687 1101559707 /nfs/dbraw/zinc/55/97/07/1101559707.db2.gz XFILMWDZZJWEIQ-HOTGVXAUSA-N 2 2 362.514 4.143 20 0 FIADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000537285756 1101606229 /nfs/dbraw/zinc/60/62/29/1101606229.db2.gz XORWNDVPXKJEMW-UHFFFAOYSA-N 2 2 352.526 4.102 20 0 FIADLP CCO[C@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1(CC)CC ZINC000537296563 1101618755 /nfs/dbraw/zinc/61/87/55/1101618755.db2.gz VGZFEHLOQQGLBS-UXHICEINSA-N 2 2 355.526 4.047 20 0 FIADLP C[C@@H]1C[C@H]1C[N@H+](Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000518848378 1101636814 /nfs/dbraw/zinc/63/68/14/1101636814.db2.gz CUBHVXITGSNHKC-ZBFHGGJFSA-N 2 2 351.332 4.001 20 0 FIADLP C[C@@H]1C[C@H]1C[N@@H+](Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000518848378 1101636823 /nfs/dbraw/zinc/63/68/23/1101636823.db2.gz CUBHVXITGSNHKC-ZBFHGGJFSA-N 2 2 351.332 4.001 20 0 FIADLP C[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000537428054 1101780478 /nfs/dbraw/zinc/78/04/78/1101780478.db2.gz RNRXBAKQZKTQQD-GOSISDBHSA-N 2 2 368.525 4.185 20 0 FIADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC001168170300 1101890546 /nfs/dbraw/zinc/89/05/46/1101890546.db2.gz JHKVAUHEZZTYSH-MTNREXPMSA-N 2 2 372.940 4.150 20 0 FIADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC001168170300 1101890562 /nfs/dbraw/zinc/89/05/62/1101890562.db2.gz JHKVAUHEZZTYSH-MTNREXPMSA-N 2 2 372.940 4.150 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000398045938 1101962611 /nfs/dbraw/zinc/96/26/11/1101962611.db2.gz VRGBJGLGWVERFD-FUHWJXTLSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000398045938 1101962621 /nfs/dbraw/zinc/96/26/21/1101962621.db2.gz VRGBJGLGWVERFD-FUHWJXTLSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@H](C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cc(F)cc(F)c1 ZINC000648462545 1102013511 /nfs/dbraw/zinc/01/35/11/1102013511.db2.gz JCKVHQXSISIPOX-QRWLVFNGSA-N 2 2 355.432 4.375 20 0 FIADLP CCCCO[C@@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1(C)C ZINC000537486361 1102171557 /nfs/dbraw/zinc/17/15/57/1102171557.db2.gz ODJCRYYKQSOSOC-VQTJNVASSA-N 2 2 374.573 4.008 20 0 FIADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)ccc2F)CC1 ZINC000532451934 1102343037 /nfs/dbraw/zinc/34/30/37/1102343037.db2.gz ZWSPQUGSENFICW-ZDUSSCGKSA-N 2 2 357.311 4.359 20 0 FIADLP CC[NH+](CC)[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000111043037 1102443783 /nfs/dbraw/zinc/44/37/83/1102443783.db2.gz UFOIJHNNNLXFLN-HXUWFJFHSA-N 2 2 366.440 4.033 20 0 FIADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000303774628 1102561680 /nfs/dbraw/zinc/56/16/80/1102561680.db2.gz RHNIRLLFGFTKTD-FXAWDEMLSA-N 2 2 356.485 4.319 20 0 FIADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000303774628 1102561689 /nfs/dbraw/zinc/56/16/89/1102561689.db2.gz RHNIRLLFGFTKTD-FXAWDEMLSA-N 2 2 356.485 4.319 20 0 FIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000303774628 1102561697 /nfs/dbraw/zinc/56/16/97/1102561697.db2.gz RHNIRLLFGFTKTD-FXAWDEMLSA-N 2 2 356.485 4.319 20 0 FIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000303774628 1102561707 /nfs/dbraw/zinc/56/17/07/1102561707.db2.gz RHNIRLLFGFTKTD-FXAWDEMLSA-N 2 2 356.485 4.319 20 0 FIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000550891784 1102662734 /nfs/dbraw/zinc/66/27/34/1102662734.db2.gz NUVMSTJONWWVSA-VXKWHMMOSA-N 2 2 368.521 4.069 20 0 FIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000550891784 1102662742 /nfs/dbraw/zinc/66/27/42/1102662742.db2.gz NUVMSTJONWWVSA-VXKWHMMOSA-N 2 2 368.521 4.069 20 0 FIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000550891780 1102663055 /nfs/dbraw/zinc/66/30/55/1102663055.db2.gz NUVMSTJONWWVSA-FCHUYYIVSA-N 2 2 368.521 4.069 20 0 FIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000550891780 1102663058 /nfs/dbraw/zinc/66/30/58/1102663058.db2.gz NUVMSTJONWWVSA-FCHUYYIVSA-N 2 2 368.521 4.069 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)o2)cc1C ZINC000129823210 1102809120 /nfs/dbraw/zinc/80/91/20/1102809120.db2.gz XTQJFHMABXIUDP-VDZJLULYSA-N 2 2 365.481 4.194 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)o2)cc1C ZINC000129823210 1102809141 /nfs/dbraw/zinc/80/91/41/1102809141.db2.gz XTQJFHMABXIUDP-VDZJLULYSA-N 2 2 365.481 4.194 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C[C@H]1c1ccccc1 ZINC000551196990 1102974405 /nfs/dbraw/zinc/97/44/05/1102974405.db2.gz LTEIXYGHSAFDOZ-CVDCTZTESA-N 2 2 367.512 4.351 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C[C@H]1c1ccccc1 ZINC000551196990 1102974409 /nfs/dbraw/zinc/97/44/09/1102974409.db2.gz LTEIXYGHSAFDOZ-CVDCTZTESA-N 2 2 367.512 4.351 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(Cl)cc1Br)CCC2 ZINC000532705960 1103013267 /nfs/dbraw/zinc/01/32/67/1103013267.db2.gz XMZIBONOLBOWEG-CYBMUJFWSA-N 2 2 368.706 4.275 20 0 FIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]CC2=Cc3ccccc3OC2)c(C)c1 ZINC000532727436 1103150704 /nfs/dbraw/zinc/15/07/04/1103150704.db2.gz STIGKEFFGZSPFP-JOCHJYFZSA-N 2 2 359.473 4.307 20 0 FIADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(F)cc1F ZINC000507521644 1103467527 /nfs/dbraw/zinc/46/75/27/1103467527.db2.gz ZPYMDKKDUJUPDN-GFCCVEGCSA-N 2 2 350.375 4.075 20 0 FIADLP CCCCOCC[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440703656 1103901655 /nfs/dbraw/zinc/90/16/55/1103901655.db2.gz SKNNKCUNZKMYJR-UHFFFAOYSA-N 2 2 362.562 4.016 20 0 FIADLP CCCCOCC[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440703656 1103901658 /nfs/dbraw/zinc/90/16/58/1103901658.db2.gz SKNNKCUNZKMYJR-UHFFFAOYSA-N 2 2 362.562 4.016 20 0 FIADLP CCC[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000538207454 1104049324 /nfs/dbraw/zinc/04/93/24/1104049324.db2.gz FBZJYSNFJQFOOX-QFIPXVFZSA-N 2 2 356.485 4.388 20 0 FIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000112628358 1104388604 /nfs/dbraw/zinc/38/86/04/1104388604.db2.gz GSYTZLNHNIBVRI-UHFFFAOYSA-N 2 2 374.488 4.419 20 0 FIADLP COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1C ZINC000507754914 1104792197 /nfs/dbraw/zinc/79/21/97/1104792197.db2.gz LBPZHBJESFNXNI-OKZBNKHCSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1C ZINC000507754914 1104792203 /nfs/dbraw/zinc/79/22/03/1104792203.db2.gz LBPZHBJESFNXNI-OKZBNKHCSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1oc([C@H](C)[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1C ZINC000507754914 1104792208 /nfs/dbraw/zinc/79/22/08/1104792208.db2.gz LBPZHBJESFNXNI-OKZBNKHCSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1oc([C@H](C)[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1C ZINC000507754914 1104792214 /nfs/dbraw/zinc/79/22/14/1104792214.db2.gz LBPZHBJESFNXNI-OKZBNKHCSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1C ZINC000507754913 1104792230 /nfs/dbraw/zinc/79/22/30/1104792230.db2.gz LBPZHBJESFNXNI-FGTMMUONSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1C ZINC000507754913 1104792233 /nfs/dbraw/zinc/79/22/33/1104792233.db2.gz LBPZHBJESFNXNI-FGTMMUONSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1oc([C@H](C)[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1C ZINC000507754913 1104792238 /nfs/dbraw/zinc/79/22/38/1104792238.db2.gz LBPZHBJESFNXNI-FGTMMUONSA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1oc([C@H](C)[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1C ZINC000507754913 1104792240 /nfs/dbraw/zinc/79/22/40/1104792240.db2.gz LBPZHBJESFNXNI-FGTMMUONSA-N 2 2 362.514 4.022 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280836844 1105082530 /nfs/dbraw/zinc/08/25/30/1105082530.db2.gz LOYFISWCHZEZOK-HTAPYJJXSA-N 2 2 350.510 4.133 20 0 FIADLP Clc1ccccc1N1C[C@@H]2C[C@H]1C[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168007496 1105133706 /nfs/dbraw/zinc/13/37/06/1105133706.db2.gz SMEKKPZOWUTELV-VYFYYAICSA-N 2 2 371.956 4.008 20 0 FIADLP Clc1ccccc1N1C[C@@H]2C[C@H]1C[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168007496 1105133708 /nfs/dbraw/zinc/13/37/08/1105133708.db2.gz SMEKKPZOWUTELV-VYFYYAICSA-N 2 2 371.956 4.008 20 0 FIADLP Clc1ccccc1N1C[C@@H]2C[C@H]1C[NH+]2C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168007496 1105133710 /nfs/dbraw/zinc/13/37/10/1105133710.db2.gz SMEKKPZOWUTELV-VYFYYAICSA-N 2 2 371.956 4.008 20 0 FIADLP Clc1ccccc1N1C[C@@H]2C[C@H]1C[NH+]2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168007496 1105133711 /nfs/dbraw/zinc/13/37/11/1105133711.db2.gz SMEKKPZOWUTELV-VYFYYAICSA-N 2 2 371.956 4.008 20 0 FIADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(OCCC)c1 ZINC000427852779 1105296258 /nfs/dbraw/zinc/29/62/58/1105296258.db2.gz MYVLPHRQWVCAFR-DLBZAZTESA-N 2 2 357.498 4.126 20 0 FIADLP Clc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000427874414 1105299049 /nfs/dbraw/zinc/29/90/49/1105299049.db2.gz HEYBZETYAJGTAV-JKIFEVAISA-N 2 2 350.293 4.431 20 0 FIADLP COc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2Cl)cc1 ZINC000427871239 1105305365 /nfs/dbraw/zinc/30/53/65/1105305365.db2.gz ZSBOBGRGQMKIKX-IERDGZPVSA-N 2 2 367.880 4.239 20 0 FIADLP CCCOc1cccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000475350300 1106742127 /nfs/dbraw/zinc/74/21/27/1106742127.db2.gz DAYHZIYHJCWIHX-UHFFFAOYSA-N 2 2 370.459 4.370 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3cccc4cccnc43)C2)CC1 ZINC000475352678 1106743791 /nfs/dbraw/zinc/74/37/91/1106743791.db2.gz VGEKASXDKVNCON-UHFFFAOYSA-N 2 2 363.427 4.130 20 0 FIADLP COc1c(C)cnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1C ZINC000390911665 1106778095 /nfs/dbraw/zinc/77/80/95/1106778095.db2.gz RFEYWOXXKQIVKW-NRFANRHFSA-N 2 2 367.537 4.097 20 0 FIADLP COc1c(C)cnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1C ZINC000390911665 1106778107 /nfs/dbraw/zinc/77/81/07/1106778107.db2.gz RFEYWOXXKQIVKW-NRFANRHFSA-N 2 2 367.537 4.097 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3ccccc3OC3CC3)C2)n2c1CCCC2 ZINC000450924889 1106820702 /nfs/dbraw/zinc/82/07/02/1106820702.db2.gz HHJGQOUZMWVFDQ-SFHVURJKSA-N 2 2 351.494 4.140 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3ccccc3OC3CC3)C2)n2c1CCCC2 ZINC000450924889 1106820714 /nfs/dbraw/zinc/82/07/14/1106820714.db2.gz HHJGQOUZMWVFDQ-SFHVURJKSA-N 2 2 351.494 4.140 20 0 FIADLP Brc1ccsc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192918860 1106902257 /nfs/dbraw/zinc/90/22/57/1106902257.db2.gz XUHFQFCKURBYKG-HNNXBMFYSA-N 2 2 365.340 4.122 20 0 FIADLP Brc1ccsc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918860 1106902258 /nfs/dbraw/zinc/90/22/58/1106902258.db2.gz XUHFQFCKURBYKG-HNNXBMFYSA-N 2 2 365.340 4.122 20 0 FIADLP Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CC[NH2+]C24CCC4)CCC3)cc1 ZINC000530221206 1106914692 /nfs/dbraw/zinc/91/46/92/1106914692.db2.gz OTXDQXPUBXJOBP-DOTOQJQBSA-N 2 2 357.498 4.201 20 0 FIADLP Clc1ccc2c(c1)[nH+]ccc2N1CCC[N@H+](Cc2cscn2)CC1 ZINC000301175299 1106954569 /nfs/dbraw/zinc/95/45/69/1106954569.db2.gz YYIJGNLUFJDRLZ-UHFFFAOYSA-N 2 2 358.898 4.057 20 0 FIADLP Clc1ccc2c(c1)[nH+]ccc2N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000301175299 1106954571 /nfs/dbraw/zinc/95/45/71/1106954571.db2.gz YYIJGNLUFJDRLZ-UHFFFAOYSA-N 2 2 358.898 4.057 20 0 FIADLP C[C@H](c1cccnc1)[NH+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000301308333 1106987299 /nfs/dbraw/zinc/98/72/99/1106987299.db2.gz WOIWTABWUFZKHV-OAHLLOKOSA-N 2 2 352.869 4.166 20 0 FIADLP FC(F)(F)c1csc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000451294448 1107010796 /nfs/dbraw/zinc/01/07/96/1107010796.db2.gz KCQOCLXTVQQTIV-UHFFFAOYSA-N 2 2 361.477 4.217 20 0 FIADLP Cc1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301617724 1107090474 /nfs/dbraw/zinc/09/04/74/1107090474.db2.gz AXWAUGQNTKPEGK-ORAYPTAESA-N 2 2 372.419 4.429 20 0 FIADLP C[C@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C[C@H]1n1cc[nH+]c1 ZINC000301629085 1107092392 /nfs/dbraw/zinc/09/23/92/1107092392.db2.gz IBCHAPFVDCRZRE-SCLBCKFNSA-N 2 2 371.282 4.281 20 0 FIADLP FC(F)(F)c1ccc2c(NCCc3cn4c([nH+]3)CCCC4)cc[nH+]c2c1 ZINC000302679041 1107405262 /nfs/dbraw/zinc/40/52/62/1107405262.db2.gz RCYQJCAKGKRCGW-UHFFFAOYSA-N 2 2 360.383 4.441 20 0 FIADLP Cc1nc(C(C)C)oc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000428350518 1107425705 /nfs/dbraw/zinc/42/57/05/1107425705.db2.gz UYYWZIYBRBMYMI-IRXDYDNUSA-N 2 2 355.526 4.353 20 0 FIADLP C[C@@H]1CC([N@H+](C)Cc2cccc3c2OCO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168068363 1107568046 /nfs/dbraw/zinc/56/80/46/1107568046.db2.gz XZJCLVFZNSURTR-QZTJIDSGSA-N 2 2 366.505 4.289 20 0 FIADLP C[C@@H]1CC([N@@H+](C)Cc2cccc3c2OCO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168068363 1107568061 /nfs/dbraw/zinc/56/80/61/1107568061.db2.gz XZJCLVFZNSURTR-QZTJIDSGSA-N 2 2 366.505 4.289 20 0 FIADLP CCCc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000428365924 1107967679 /nfs/dbraw/zinc/96/76/79/1107967679.db2.gz WGIOAOJTRPLWLT-LEWJYISDSA-N 2 2 367.537 4.422 20 0 FIADLP CCCc1nc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000428365924 1107967681 /nfs/dbraw/zinc/96/76/81/1107967681.db2.gz WGIOAOJTRPLWLT-LEWJYISDSA-N 2 2 367.537 4.422 20 0 FIADLP CCCc1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000428365924 1107967682 /nfs/dbraw/zinc/96/76/82/1107967682.db2.gz WGIOAOJTRPLWLT-LEWJYISDSA-N 2 2 367.537 4.422 20 0 FIADLP CCCc1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000428365924 1107967685 /nfs/dbraw/zinc/96/76/85/1107967685.db2.gz WGIOAOJTRPLWLT-LEWJYISDSA-N 2 2 367.537 4.422 20 0 FIADLP Cc1ccc(-n2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000531582207 1107998867 /nfs/dbraw/zinc/99/88/67/1107998867.db2.gz JQPALXIEXJTOLB-IEBWSBKVSA-N 2 2 354.542 4.051 20 0 FIADLP Cc1ccc(-n2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000531582207 1107998870 /nfs/dbraw/zinc/99/88/70/1107998870.db2.gz JQPALXIEXJTOLB-IEBWSBKVSA-N 2 2 354.542 4.051 20 0 FIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1sccc1Br ZINC000531709928 1108089321 /nfs/dbraw/zinc/08/93/21/1108089321.db2.gz BTJXHVBRBSMBBZ-LBPRGKRZSA-N 2 2 354.317 4.449 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OC(F)F)CC[N@@H+]1C ZINC000531735417 1108105692 /nfs/dbraw/zinc/10/56/92/1108105692.db2.gz BXWZAHFYANIXKP-CABZTGNLSA-N 2 2 353.240 4.167 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OC(F)F)CC[N@H+]1C ZINC000531735417 1108105702 /nfs/dbraw/zinc/10/57/02/1108105702.db2.gz BXWZAHFYANIXKP-CABZTGNLSA-N 2 2 353.240 4.167 20 0 FIADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000531758843 1108127848 /nfs/dbraw/zinc/12/78/48/1108127848.db2.gz RZNJRNAIJPWVQY-UXHICEINSA-N 2 2 374.912 4.067 20 0 FIADLP Cn1ccnc1[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000453093726 1108166398 /nfs/dbraw/zinc/16/63/98/1108166398.db2.gz OYQHFHKJMSGTLO-LJQANCHMSA-N 2 2 369.900 4.040 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000453222720 1108295619 /nfs/dbraw/zinc/29/56/19/1108295619.db2.gz ANSUHQHMVOZXEN-URZJWIJPSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000453222720 1108295624 /nfs/dbraw/zinc/29/56/24/1108295624.db2.gz ANSUHQHMVOZXEN-URZJWIJPSA-N 2 2 353.485 4.098 20 0 FIADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000453235410 1108309724 /nfs/dbraw/zinc/30/97/24/1108309724.db2.gz LMJRJCDPBNWLLL-CVEARBPZSA-N 2 2 369.900 4.075 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]3C(C)(C)C)CC2)cc1 ZINC000453320330 1108409290 /nfs/dbraw/zinc/40/92/90/1108409290.db2.gz FIULVZOQRCYRAJ-LEWJYISDSA-N 2 2 357.542 4.024 20 0 FIADLP Cc1nc(-c2ccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cc2)cs1 ZINC000531953418 1108439791 /nfs/dbraw/zinc/43/97/91/1108439791.db2.gz OHSZGWFBSGRSEZ-UHFFFAOYSA-N 2 2 364.518 4.272 20 0 FIADLP COc1ccc(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCCC2)cc1OC ZINC000524604976 1109086593 /nfs/dbraw/zinc/08/65/93/1109086593.db2.gz MQKLVIHIXONXQU-GOSISDBHSA-N 2 2 368.521 4.457 20 0 FIADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000525267147 1109324973 /nfs/dbraw/zinc/32/49/73/1109324973.db2.gz IITBRVSEIXULCI-DOTOQJQBSA-N 2 2 370.368 4.155 20 0 FIADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000525267147 1109324978 /nfs/dbraw/zinc/32/49/78/1109324978.db2.gz IITBRVSEIXULCI-DOTOQJQBSA-N 2 2 370.368 4.155 20 0 FIADLP Clc1cc(Br)ccc1[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000446740382 1109325519 /nfs/dbraw/zinc/32/55/19/1109325519.db2.gz CWICKUBIXJCNJG-INIZCTEOSA-N 2 2 368.706 4.430 20 0 FIADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCn3cc(C)[nH+]c31)CCCS2 ZINC000446822984 1109350515 /nfs/dbraw/zinc/35/05/15/1109350515.db2.gz HLJWLQNAUVFOGM-YJBOKZPZSA-N 2 2 357.523 4.294 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000447092422 1109433826 /nfs/dbraw/zinc/43/38/26/1109433826.db2.gz ZOORRPXQNXEDCY-UHFFFAOYSA-N 2 2 368.477 4.079 20 0 FIADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCCCNc1cccc[nH+]1)CCC2 ZINC000447563017 1109582845 /nfs/dbraw/zinc/58/28/45/1109582845.db2.gz NLZNBGHFRCBCFT-MRXNPFEDSA-N 2 2 371.481 4.019 20 0 FIADLP Fc1cccc(Cl)c1CCC[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000447815651 1109646616 /nfs/dbraw/zinc/64/66/16/1109646616.db2.gz FMCTUMVAFGXDTN-UHFFFAOYSA-N 2 2 357.860 4.446 20 0 FIADLP CC(C)(C)c1cnc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000447933707 1109681888 /nfs/dbraw/zinc/68/18/88/1109681888.db2.gz XSOYCLNYOTXKIC-GOSISDBHSA-N 2 2 357.567 4.095 20 0 FIADLP CC(C)(C)c1cnc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000447933707 1109681894 /nfs/dbraw/zinc/68/18/94/1109681894.db2.gz XSOYCLNYOTXKIC-GOSISDBHSA-N 2 2 357.567 4.095 20 0 FIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccncc1Cl ZINC000527665365 1109798634 /nfs/dbraw/zinc/79/86/34/1109798634.db2.gz IUMXCUYMZDGFLE-UHFFFAOYSA-N 2 2 355.869 4.250 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccc4cc[nH]c4c3)C2)CC1 ZINC000527700830 1109808094 /nfs/dbraw/zinc/80/80/94/1109808094.db2.gz MLBJFMLQSSHEIT-UHFFFAOYSA-N 2 2 351.416 4.063 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)c(Br)cc1F ZINC000527750590 1109821084 /nfs/dbraw/zinc/82/10/84/1109821084.db2.gz AOJXAOHTFHUAFS-SDDRHHMPSA-N 2 2 359.258 4.005 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)c(Br)cc1F ZINC000527750590 1109821088 /nfs/dbraw/zinc/82/10/88/1109821088.db2.gz AOJXAOHTFHUAFS-SDDRHHMPSA-N 2 2 359.258 4.005 20 0 FIADLP Brc1cccc2c(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)ccnc12 ZINC000449015826 1109955071 /nfs/dbraw/zinc/95/50/71/1109955071.db2.gz DAAGVWCFIIHJOT-UHFFFAOYSA-N 2 2 371.282 4.100 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)[C@@H](C)C1 ZINC000449027459 1109958730 /nfs/dbraw/zinc/95/87/30/1109958730.db2.gz IJXVRMMTSIGQFH-SUMWQHHRSA-N 2 2 365.493 4.250 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)[C@@H](C)C1 ZINC000449027459 1109958731 /nfs/dbraw/zinc/95/87/31/1109958731.db2.gz IJXVRMMTSIGQFH-SUMWQHHRSA-N 2 2 365.493 4.250 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)[C@@H](C)C1 ZINC000449027459 1109958733 /nfs/dbraw/zinc/95/87/33/1109958733.db2.gz IJXVRMMTSIGQFH-SUMWQHHRSA-N 2 2 365.493 4.250 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)[C@@H](C)C1 ZINC000449027459 1109958734 /nfs/dbraw/zinc/95/87/34/1109958734.db2.gz IJXVRMMTSIGQFH-SUMWQHHRSA-N 2 2 365.493 4.250 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)C[C@@H]1C ZINC000449026362 1109959135 /nfs/dbraw/zinc/95/91/35/1109959135.db2.gz FQTOHUOWYBENRG-UONOGXRCSA-N 2 2 365.493 4.393 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3c(F)cccc3F)s2)C[C@@H]1C ZINC000449026362 1109959137 /nfs/dbraw/zinc/95/91/37/1109959137.db2.gz FQTOHUOWYBENRG-UONOGXRCSA-N 2 2 365.493 4.393 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)C[C@@H]1C ZINC000449026362 1109959140 /nfs/dbraw/zinc/95/91/40/1109959140.db2.gz FQTOHUOWYBENRG-UONOGXRCSA-N 2 2 365.493 4.393 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)C[C@@H]1C ZINC000449026362 1109959141 /nfs/dbraw/zinc/95/91/41/1109959141.db2.gz FQTOHUOWYBENRG-UONOGXRCSA-N 2 2 365.493 4.393 20 0 FIADLP C[C@@H](Cc1coc2ccccc12)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000449070737 1109972459 /nfs/dbraw/zinc/97/24/59/1109972459.db2.gz FDUWDGMNJBRZGZ-SFHVURJKSA-N 2 2 359.473 4.441 20 0 FIADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000449089291 1109977818 /nfs/dbraw/zinc/97/78/18/1109977818.db2.gz JTXPJWCLGGYMSQ-UHFFFAOYSA-N 2 2 352.526 4.061 20 0 FIADLP Fc1c(Br)cccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000449181373 1109992824 /nfs/dbraw/zinc/99/28/24/1109992824.db2.gz GXWICLTYNPAYID-UHFFFAOYSA-N 2 2 355.295 4.085 20 0 FIADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](c2cccs2)N(C)C)CC1 ZINC000449219040 1109999835 /nfs/dbraw/zinc/99/98/35/1109999835.db2.gz MCTFMFSQFBUYTE-RXVVDRJESA-N 2 2 371.594 4.036 20 0 FIADLP CC(C)n1ccc(C[C@H](C)[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)n1 ZINC000449476837 1110084739 /nfs/dbraw/zinc/08/47/39/1110084739.db2.gz NSGQWIVMAJMQKB-IBGZPJMESA-N 2 2 354.542 4.039 20 0 FIADLP CC(C)n1ccc(C[C@H](C)[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)n1 ZINC000449476837 1110084740 /nfs/dbraw/zinc/08/47/40/1110084740.db2.gz NSGQWIVMAJMQKB-IBGZPJMESA-N 2 2 354.542 4.039 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3C3CC3)CC2)cc1 ZINC000449525413 1110099479 /nfs/dbraw/zinc/09/94/79/1110099479.db2.gz RWWVYUTVIZDZOL-DHIUTWEWSA-N 2 2 369.553 4.168 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)CCC(C)(C)C)CC2)cc1 ZINC000449526040 1110099918 /nfs/dbraw/zinc/09/99/18/1110099918.db2.gz VBULQEFXDBBKOU-QGZVFWFLSA-N 2 2 359.558 4.414 20 0 FIADLP Cc1cccc2c1[C@H](C)C[C@H]2Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000538559895 1111193817 /nfs/dbraw/zinc/19/38/17/1111193817.db2.gz OHLZIEJRQZOHPU-IMFGXOCKSA-N 2 2 350.510 4.191 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCCCc4ccccc43)[nH+]c2)CC1 ZINC000538587335 1111195857 /nfs/dbraw/zinc/19/58/57/1111195857.db2.gz QTSSGGOTNXSHOO-JOCHJYFZSA-N 2 2 364.537 4.492 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCc4ccc(Cl)cc43)[nH+]c2)CC1 ZINC000538590165 1111211334 /nfs/dbraw/zinc/21/13/34/1111211334.db2.gz IISLJZZMHFAELE-HXUWFJFHSA-N 2 2 370.928 4.365 20 0 FIADLP C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000538638599 1111225112 /nfs/dbraw/zinc/22/51/12/1111225112.db2.gz ZWUVZNWPWHSNHJ-SFHVURJKSA-N 2 2 368.525 4.185 20 0 FIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc3c(c2)OCO3)c(C)c1 ZINC000539054826 1111402466 /nfs/dbraw/zinc/40/24/66/1111402466.db2.gz RLRWSCPXULYYME-XLIONFOSSA-N 2 2 363.461 4.321 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000539092954 1111428859 /nfs/dbraw/zinc/42/88/59/1111428859.db2.gz HAZLFWWEXWYMEF-INIZCTEOSA-N 2 2 369.322 4.428 20 0 FIADLP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000552048424 1111557519 /nfs/dbraw/zinc/55/75/19/1111557519.db2.gz SBRRHLZCSPCYJX-TXPKVOOTSA-N 2 2 372.534 4.096 20 0 FIADLP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000552048424 1111557522 /nfs/dbraw/zinc/55/75/22/1111557522.db2.gz SBRRHLZCSPCYJX-TXPKVOOTSA-N 2 2 372.534 4.096 20 0 FIADLP CCC[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000478278420 1111739248 /nfs/dbraw/zinc/73/92/48/1111739248.db2.gz BJZWTGHLQKMWNQ-UHFFFAOYSA-N 2 2 368.569 4.193 20 0 FIADLP CCC(CC)(C[NH2+][C@H]1CCCc2nn(C)cc21)[NH2+][C@@H](C)c1ccccc1 ZINC000479057299 1111938313 /nfs/dbraw/zinc/93/83/13/1111938313.db2.gz HUSJKUJEQAKIGJ-PXNSSMCTSA-N 2 2 354.542 4.297 20 0 FIADLP C[C@@H]([NH2+]C1(C[NH2+][C@H]2CCCc3nn(C)cc32)CCCC1)c1ccccc1 ZINC000479052378 1111941291 /nfs/dbraw/zinc/94/12/91/1111941291.db2.gz BBCYZTFSJKJUPB-XLIONFOSSA-N 2 2 352.526 4.051 20 0 FIADLP Brc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000479356113 1111997721 /nfs/dbraw/zinc/99/77/21/1111997721.db2.gz VTONSJLFGZWWML-SFHVURJKSA-N 2 2 374.326 4.192 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000479473505 1112036540 /nfs/dbraw/zinc/03/65/40/1112036540.db2.gz AWSHRXAYJDITPN-SSKFGXFMSA-N 2 2 353.485 4.098 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000479473505 1112036544 /nfs/dbraw/zinc/03/65/44/1112036544.db2.gz AWSHRXAYJDITPN-SSKFGXFMSA-N 2 2 353.485 4.098 20 0 FIADLP CCO[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C12CCCC2 ZINC000479484453 1112040620 /nfs/dbraw/zinc/04/06/20/1112040620.db2.gz QZVZUBIMFLTODF-HIEASXQVSA-N 2 2 374.491 4.119 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H](Cc3ccccc3)C3CC3)C2)CC1 ZINC000479472432 1112043874 /nfs/dbraw/zinc/04/38/74/1112043874.db2.gz BYHDECIJXWIMRP-MHJFOBGBSA-N 2 2 366.471 4.403 20 0 FIADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)cc(C)nc2OCc2ccccc2)C1 ZINC000553887313 1112124193 /nfs/dbraw/zinc/12/41/93/1112124193.db2.gz ZZYWTDWYLRDURS-OAQYLSRUSA-N 2 2 367.537 4.051 20 0 FIADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)cc(C)nc2OCc2ccccc2)C1 ZINC000553887313 1112124194 /nfs/dbraw/zinc/12/41/94/1112124194.db2.gz ZZYWTDWYLRDURS-OAQYLSRUSA-N 2 2 367.537 4.051 20 0 FIADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)cc(C)nc2OCc2ccccc2)C1 ZINC000553887313 1112124197 /nfs/dbraw/zinc/12/41/97/1112124197.db2.gz ZZYWTDWYLRDURS-OAQYLSRUSA-N 2 2 367.537 4.051 20 0 FIADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)cc(C)nc2OCc2ccccc2)C1 ZINC000553887313 1112124199 /nfs/dbraw/zinc/12/41/99/1112124199.db2.gz ZZYWTDWYLRDURS-OAQYLSRUSA-N 2 2 367.537 4.051 20 0 FIADLP Fc1ccc(Oc2ccc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cn2)cc1 ZINC000667563574 1112164097 /nfs/dbraw/zinc/16/40/97/1112164097.db2.gz HNUFLAAABWVCOL-UHFFFAOYSA-N 2 2 352.413 4.116 20 0 FIADLP COc1cc(F)c([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1OC ZINC000480167652 1112305595 /nfs/dbraw/zinc/30/55/95/1112305595.db2.gz JPKJGBPYGQPLAU-MRXNPFEDSA-N 2 2 360.473 4.016 20 0 FIADLP COc1cc(F)c([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1OC ZINC000480167652 1112305600 /nfs/dbraw/zinc/30/56/00/1112305600.db2.gz JPKJGBPYGQPLAU-MRXNPFEDSA-N 2 2 360.473 4.016 20 0 FIADLP Cc1csc(C2([NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)CCC2)n1 ZINC000480193483 1112328647 /nfs/dbraw/zinc/32/86/47/1112328647.db2.gz RWTOQTQSPCTNCW-IEBWSBKVSA-N 2 2 355.551 4.331 20 0 FIADLP Cc1csc(C2([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CCC2)n1 ZINC000480193483 1112328651 /nfs/dbraw/zinc/32/86/51/1112328651.db2.gz RWTOQTQSPCTNCW-IEBWSBKVSA-N 2 2 355.551 4.331 20 0 FIADLP CC[N@@H+](Cc1cc(COC)cs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000667659574 1112382741 /nfs/dbraw/zinc/38/27/41/1112382741.db2.gz LOPPOJVOUSDJIK-UHFFFAOYSA-N 2 2 359.539 4.028 20 0 FIADLP CC[N@H+](Cc1cc(COC)cs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000667659574 1112382743 /nfs/dbraw/zinc/38/27/43/1112382743.db2.gz LOPPOJVOUSDJIK-UHFFFAOYSA-N 2 2 359.539 4.028 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)[C@H](C)C1 ZINC000667666323 1112398990 /nfs/dbraw/zinc/39/89/90/1112398990.db2.gz JHKCFIRQPKPMQT-UZLBHIALSA-N 2 2 357.473 4.175 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)[C@H](C)C1 ZINC000667666323 1112398996 /nfs/dbraw/zinc/39/89/96/1112398996.db2.gz JHKCFIRQPKPMQT-UZLBHIALSA-N 2 2 357.473 4.175 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)[C@H](C)C1 ZINC000667666323 1112399002 /nfs/dbraw/zinc/39/90/02/1112399002.db2.gz JHKCFIRQPKPMQT-UZLBHIALSA-N 2 2 357.473 4.175 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)nc2)[C@H](C)C1 ZINC000667666323 1112399008 /nfs/dbraw/zinc/39/90/08/1112399008.db2.gz JHKCFIRQPKPMQT-UZLBHIALSA-N 2 2 357.473 4.175 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccsc2Cl)C[C@H](C)O1 ZINC000480667204 1112535615 /nfs/dbraw/zinc/53/56/15/1112535615.db2.gz QYRKVNKKZSQOPV-GASCZTMLSA-N 2 2 364.942 4.301 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccsc2Cl)C[C@H](C)O1 ZINC000480667204 1112535618 /nfs/dbraw/zinc/53/56/18/1112535618.db2.gz QYRKVNKKZSQOPV-GASCZTMLSA-N 2 2 364.942 4.301 20 0 FIADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2nc3cccc(Cl)c3n2C)CC1 ZINC000480692049 1112548095 /nfs/dbraw/zinc/54/80/95/1112548095.db2.gz FOAYUYUNRLFIOQ-KXBFYZLASA-N 2 2 374.960 4.359 20 0 FIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCC2(CCOCC2)CC1)C1CC1 ZINC000480762090 1112591013 /nfs/dbraw/zinc/59/10/13/1112591013.db2.gz UIPDAJCQZCCYDN-QFIPXVFZSA-N 2 2 356.554 4.226 20 0 FIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCC2(CCOCC2)CC1)C1CC1 ZINC000480762090 1112591017 /nfs/dbraw/zinc/59/10/17/1112591017.db2.gz UIPDAJCQZCCYDN-QFIPXVFZSA-N 2 2 356.554 4.226 20 0 FIADLP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CCc4[nH+]c[nH]c4C2)CCC3)cc1 ZINC000554998781 1112610113 /nfs/dbraw/zinc/61/01/13/1112610113.db2.gz UWYOUKQPQDNIBN-NVXWUHKLSA-N 2 2 364.518 4.366 20 0 FIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000481308733 1112883315 /nfs/dbraw/zinc/88/33/15/1112883315.db2.gz QFFTYJZAFWNOPJ-MJGOQNOKSA-N 2 2 369.509 4.093 20 0 FIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000481308733 1112883331 /nfs/dbraw/zinc/88/33/31/1112883331.db2.gz QFFTYJZAFWNOPJ-MJGOQNOKSA-N 2 2 369.509 4.093 20 0 FIADLP CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccco1 ZINC000481956596 1113141112 /nfs/dbraw/zinc/14/11/12/1113141112.db2.gz DFBUDHJXZURAEP-FXAWDEMLSA-N 2 2 352.482 4.199 20 0 FIADLP COc1ccccc1/C=C\C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000482045025 1113162248 /nfs/dbraw/zinc/16/22/48/1113162248.db2.gz RMXZCPHGLCURGA-CLFYSBASSA-N 2 2 360.567 4.050 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000482122638 1113182273 /nfs/dbraw/zinc/18/22/73/1113182273.db2.gz TYKMITXLTJBROY-HZPDHXFCSA-N 2 2 362.514 4.459 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(F)c1 ZINC000482122638 1113182277 /nfs/dbraw/zinc/18/22/77/1113182277.db2.gz TYKMITXLTJBROY-HZPDHXFCSA-N 2 2 362.514 4.459 20 0 FIADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3C(=O)OC)o2)CC1 ZINC000482214529 1113199995 /nfs/dbraw/zinc/19/99/95/1113199995.db2.gz NLHLYHDYLYLYFH-UHFFFAOYSA-N 2 2 370.493 4.087 20 0 FIADLP C[C@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483158654 1113450367 /nfs/dbraw/zinc/45/03/67/1113450367.db2.gz QJIHMEBBKVGYRM-MGPUTAFESA-N 2 2 370.447 4.104 20 0 FIADLP COCC[N@H+](C)CC[C@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000486677767 1113621395 /nfs/dbraw/zinc/62/13/95/1113621395.db2.gz QCLSMKINCHBASD-NRFANRHFSA-N 2 2 369.484 4.106 20 0 FIADLP COCC[N@@H+](C)CC[C@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000486677767 1113621403 /nfs/dbraw/zinc/62/14/03/1113621403.db2.gz QCLSMKINCHBASD-NRFANRHFSA-N 2 2 369.484 4.106 20 0 FIADLP Clc1ccc(C2=CC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)cc1 ZINC000668693817 1113658722 /nfs/dbraw/zinc/65/87/22/1113658722.db2.gz WEOAMXRWAKXCAT-FPOVZHCZSA-N 2 2 360.929 4.119 20 0 FIADLP CC(C)[C@H]1C[C@@H]([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CS1 ZINC000488448060 1113933640 /nfs/dbraw/zinc/93/36/40/1113933640.db2.gz LKJMRDRCJUUMHI-DFQSSKMNSA-N 2 2 362.583 4.006 20 0 FIADLP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccc(Cl)cc1 ZINC000488714586 1113981367 /nfs/dbraw/zinc/98/13/67/1113981367.db2.gz NSTVSKFINYNIBL-FQEVSTJZSA-N 2 2 355.869 4.311 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(Br)c(F)c1)CCC2 ZINC000489541692 1114129743 /nfs/dbraw/zinc/12/97/43/1114129743.db2.gz BVBLFHWAMIVHOQ-JSGCOSHPSA-N 2 2 366.278 4.321 20 0 FIADLP COCC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(C)cc(C(C)(C)C)cc32)CC1 ZINC000489594052 1114140746 /nfs/dbraw/zinc/14/07/46/1114140746.db2.gz FHWUTFNQEFNNMV-OAQYLSRUSA-N 2 2 374.569 4.207 20 0 FIADLP COCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000490110761 1114215619 /nfs/dbraw/zinc/21/56/19/1114215619.db2.gz DRVNOHMMCQZNGH-QHCPKHFHSA-N 2 2 352.522 4.093 20 0 FIADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000571290463 1114453322 /nfs/dbraw/zinc/45/33/22/1114453322.db2.gz BBWLFFVIDGNRBQ-UHFFFAOYSA-N 2 2 360.461 4.111 20 0 FIADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000509446301 1114529309 /nfs/dbraw/zinc/52/93/09/1114529309.db2.gz HPVTYPLXKAVYTR-HFGNEKBZSA-N 2 2 364.533 4.059 20 0 FIADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000509446301 1114529312 /nfs/dbraw/zinc/52/93/12/1114529312.db2.gz HPVTYPLXKAVYTR-HFGNEKBZSA-N 2 2 364.533 4.059 20 0 FIADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081864 1115018343 /nfs/dbraw/zinc/01/83/43/1115018343.db2.gz AQWWKDCTPYVSGN-ICSRJNTNSA-N 2 2 374.488 4.214 20 0 FIADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081864 1115018346 /nfs/dbraw/zinc/01/83/46/1115018346.db2.gz AQWWKDCTPYVSGN-ICSRJNTNSA-N 2 2 374.488 4.214 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)n2c1CCCC2 ZINC000573268144 1115088275 /nfs/dbraw/zinc/08/82/75/1115088275.db2.gz CSRWQWUQBKHFMK-FQEVSTJZSA-N 2 2 373.504 4.056 20 0 FIADLP CCCOc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)ccc1OC ZINC000573646126 1115160268 /nfs/dbraw/zinc/16/02/68/1115160268.db2.gz UEPDSBQILSHORD-UHFFFAOYSA-N 2 2 371.525 4.373 20 0 FIADLP c1cn(-c2ccccc2C[NH2+]Cc2ccccc2OCc2ccncc2)c[nH+]1 ZINC000592976560 1115272683 /nfs/dbraw/zinc/27/26/83/1115272683.db2.gz FKBBCHMZGUEZLF-UHFFFAOYSA-N 2 2 370.456 4.136 20 0 FIADLP Cc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(Br)c1 ZINC000157757417 1115296482 /nfs/dbraw/zinc/29/64/82/1115296482.db2.gz KKJFUXCPOXOYGF-MRXNPFEDSA-N 2 2 350.304 4.159 20 0 FIADLP Cn1c[nH+]cc1CC[N@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000626113256 1115866540 /nfs/dbraw/zinc/86/65/40/1115866540.db2.gz KWJRWLPGIRXZPK-UHFFFAOYSA-N 2 2 350.491 4.208 20 0 FIADLP Cn1c[nH+]cc1CC[N@@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000626113256 1115866542 /nfs/dbraw/zinc/86/65/42/1115866542.db2.gz KWJRWLPGIRXZPK-UHFFFAOYSA-N 2 2 350.491 4.208 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000608068839 1116080533 /nfs/dbraw/zinc/08/05/33/1116080533.db2.gz GFPODHXHHDTQHJ-GOSISDBHSA-N 2 2 357.404 4.095 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1csc(-c3ccc(C)cc3)n1)CCC2 ZINC000608067870 1116080571 /nfs/dbraw/zinc/08/05/71/1116080571.db2.gz ZFAKCVNZHGXCPF-KRWDZBQOSA-N 2 2 352.507 4.291 20 0 FIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000509450459 1116198648 /nfs/dbraw/zinc/19/86/48/1116198648.db2.gz RLOWXZIXXPATRA-NRFANRHFSA-N 2 2 364.493 4.060 20 0 FIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000509450459 1116198649 /nfs/dbraw/zinc/19/86/49/1116198649.db2.gz RLOWXZIXXPATRA-NRFANRHFSA-N 2 2 364.493 4.060 20 0 FIADLP COCc1cccc(C[NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000462364969 1116340951 /nfs/dbraw/zinc/34/09/51/1116340951.db2.gz JWWNGONKJNYVJI-QHCPKHFHSA-N 2 2 352.522 4.006 20 0 FIADLP COCc1cccc(C[NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1 ZINC000462364969 1116340952 /nfs/dbraw/zinc/34/09/52/1116340952.db2.gz JWWNGONKJNYVJI-QHCPKHFHSA-N 2 2 352.522 4.006 20 0 FIADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1Cl ZINC000539658795 1116360863 /nfs/dbraw/zinc/36/08/63/1116360863.db2.gz HVDQUAOYAYFAMN-BBRMVZONSA-N 2 2 362.880 4.188 20 0 FIADLP C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1cccc(OCC[NH+](C)C)c1 ZINC000539740418 1116373821 /nfs/dbraw/zinc/37/38/21/1116373821.db2.gz MZJFOSJCWZQIIJ-SFHVURJKSA-N 2 2 368.525 4.185 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@H](C)C1 ZINC000539835169 1116388905 /nfs/dbraw/zinc/38/89/05/1116388905.db2.gz HSUCKNYYWSUSRN-VFNWGFHPSA-N 2 2 374.960 4.305 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@H](C)C1 ZINC000539835169 1116388907 /nfs/dbraw/zinc/38/89/07/1116388907.db2.gz HSUCKNYYWSUSRN-VFNWGFHPSA-N 2 2 374.960 4.305 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@H](C)C1 ZINC000539835169 1116388909 /nfs/dbraw/zinc/38/89/09/1116388909.db2.gz HSUCKNYYWSUSRN-VFNWGFHPSA-N 2 2 374.960 4.305 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@H](C)C1 ZINC000539835169 1116388912 /nfs/dbraw/zinc/38/89/12/1116388912.db2.gz HSUCKNYYWSUSRN-VFNWGFHPSA-N 2 2 374.960 4.305 20 0 FIADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000462818092 1117794251 /nfs/dbraw/zinc/79/42/51/1117794251.db2.gz PRQKXKPCLAWEQG-IIBYNOLFSA-N 2 2 359.583 4.251 20 0 FIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c3ccccc32)CC1 ZINC000462915573 1117859378 /nfs/dbraw/zinc/85/93/78/1117859378.db2.gz WHNAFIRQNRDVFR-MRXNPFEDSA-N 2 2 372.484 4.047 20 0 FIADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1nc2ccc(Cl)cc2n1C ZINC000540300811 1117975440 /nfs/dbraw/zinc/97/54/40/1117975440.db2.gz SRQBJRKGPILFAA-GUYCJALGSA-N 2 2 350.938 4.244 20 0 FIADLP C[NH+](C)[C@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000463144564 1117981490 /nfs/dbraw/zinc/98/14/90/1117981490.db2.gz KOICNLREJJVJAV-JOCHJYFZSA-N 2 2 371.956 4.197 20 0 FIADLP CC(C)(CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCCC1 ZINC000463140555 1117986755 /nfs/dbraw/zinc/98/67/55/1117986755.db2.gz LHNAELSBFLTLSP-UHFFFAOYSA-N 2 2 363.977 4.159 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000463156823 1117995769 /nfs/dbraw/zinc/99/57/69/1117995769.db2.gz VTZOCQQZFPHBTP-OZOXKJRCSA-N 2 2 354.469 4.292 20 0 FIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)CC[N@H+]1Cc1ccccc1 ZINC000463156823 1117995770 /nfs/dbraw/zinc/99/57/70/1117995770.db2.gz VTZOCQQZFPHBTP-OZOXKJRCSA-N 2 2 354.469 4.292 20 0 FIADLP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CO2 ZINC000463193665 1118009224 /nfs/dbraw/zinc/00/92/24/1118009224.db2.gz SJEDGXXMIWBKDD-HXUWFJFHSA-N 2 2 356.897 4.070 20 0 FIADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000540594383 1118138161 /nfs/dbraw/zinc/13/81/61/1118138161.db2.gz SUVPFNSYQHVDAO-QGZVFWFLSA-N 2 2 358.526 4.455 20 0 FIADLP COc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2ccc(F)cc2)cc1 ZINC000540908330 1118306830 /nfs/dbraw/zinc/30/68/30/1118306830.db2.gz KPDWBUXBCSSOBF-NRFANRHFSA-N 2 2 353.441 4.190 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(NC3CC(c4cccc(F)c4)C3)[nH+]c2)CC1 ZINC000541231201 1118442593 /nfs/dbraw/zinc/44/25/93/1118442593.db2.gz JIPBUXOLIMJDJR-UHFFFAOYSA-N 2 2 368.500 4.109 20 0 FIADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000542132088 1118807692 /nfs/dbraw/zinc/80/76/92/1118807692.db2.gz JEYXTVWMQSUHQK-IBGZPJMESA-N 2 2 368.525 4.019 20 0 FIADLP C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311214393 1119362156 /nfs/dbraw/zinc/36/21/56/1119362156.db2.gz MKZVWNARAGSGFR-SJLPKXTDSA-N 2 2 357.567 4.441 20 0 FIADLP C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311214393 1119362160 /nfs/dbraw/zinc/36/21/60/1119362160.db2.gz MKZVWNARAGSGFR-SJLPKXTDSA-N 2 2 357.567 4.441 20 0 FIADLP COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311517769 1119377790 /nfs/dbraw/zinc/37/77/90/1119377790.db2.gz IQJVGQZRURYLHE-AOIWGVFYSA-N 2 2 356.485 4.396 20 0 FIADLP COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311517769 1119377792 /nfs/dbraw/zinc/37/77/92/1119377792.db2.gz IQJVGQZRURYLHE-AOIWGVFYSA-N 2 2 356.485 4.396 20 0 FIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000467344688 1119714806 /nfs/dbraw/zinc/71/48/06/1119714806.db2.gz RBQDNLZPKLMYIC-FQEVSTJZSA-N 2 2 374.532 4.496 20 0 FIADLP COc1ccc(-c2ccncc2)cc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000187194931 1119772074 /nfs/dbraw/zinc/77/20/74/1119772074.db2.gz BUSHAZXIEOMZEE-UHFFFAOYSA-N 2 2 362.477 4.134 20 0 FIADLP FC(F)(F)c1ccc(-c2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)o2)cc1 ZINC000494426743 1119856671 /nfs/dbraw/zinc/85/66/71/1119856671.db2.gz CKMWSFGNZMSCMA-OAHLLOKOSA-N 2 2 361.367 4.267 20 0 FIADLP c1cn(Cc2ccccc2)c(CC[NH2+]Cc2ccc(OCC3CC3)cc2)[nH+]1 ZINC000190744166 1119947232 /nfs/dbraw/zinc/94/72/32/1119947232.db2.gz CLMGXYAHQATIDJ-UHFFFAOYSA-N 2 2 361.489 4.053 20 0 FIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nccn2-c2ccccc2)[C@@H]1c1cccs1 ZINC000191189926 1119964262 /nfs/dbraw/zinc/96/42/62/1119964262.db2.gz FGGWUTLCUCZJIY-LAUBAEHRSA-N 2 2 366.534 4.107 20 0 FIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2nccn2-c2ccccc2)[C@@H]1c1cccs1 ZINC000191189926 1119964264 /nfs/dbraw/zinc/96/42/64/1119964264.db2.gz FGGWUTLCUCZJIY-LAUBAEHRSA-N 2 2 366.534 4.107 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191461623 1119978563 /nfs/dbraw/zinc/97/85/63/1119978563.db2.gz PUIAJEDDIZNOIX-SFHVURJKSA-N 2 2 365.521 4.186 20 0 FIADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2sccc2Cl)C[C@@H](C)O1 ZINC000193031183 1120095812 /nfs/dbraw/zinc/09/58/12/1120095812.db2.gz GKIGQVKSWLIJHU-HUUCEWRRSA-N 2 2 364.942 4.301 20 0 FIADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@@H](C)Cc3ccccc3)CCCC2)no1 ZINC000542518062 1120342640 /nfs/dbraw/zinc/34/26/40/1120342640.db2.gz RUIWVUUHBIAVLZ-SFHVURJKSA-N 2 2 370.541 4.149 20 0 FIADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1F ZINC000495024354 1120432145 /nfs/dbraw/zinc/43/21/45/1120432145.db2.gz DKNMXPLDHQWMCG-FQEVSTJZSA-N 2 2 356.489 4.314 20 0 FIADLP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000495049957 1120445648 /nfs/dbraw/zinc/44/56/48/1120445648.db2.gz UCVOPVKBVRXAIO-FXAWDEMLSA-N 2 2 357.473 4.170 20 0 FIADLP Fc1cc(Br)cc([C@@H](CC2CC2)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000495254420 1120584120 /nfs/dbraw/zinc/58/41/20/1120584120.db2.gz XWVNUOFMHHLYBS-QGZVFWFLSA-N 2 2 366.278 4.306 20 0 FIADLP c1cn(-c2ccc(-c3noc([C@H]4CC[C@@H](c5ccccc5)[NH2+]C4)n3)cc2)c[nH+]1 ZINC001212207291 1120979679 /nfs/dbraw/zinc/97/96/79/1120979679.db2.gz FTTIOBNPPCVPDR-ICSRJNTNSA-N 2 2 371.444 4.131 20 0 FIADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(F)c1 ZINC000397985152 1121331163 /nfs/dbraw/zinc/33/11/63/1121331163.db2.gz NZJYMDREQZEPAW-JLHGSKIFSA-N 2 2 356.485 4.396 20 0 FIADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(F)c1 ZINC000397985152 1121331173 /nfs/dbraw/zinc/33/11/73/1121331173.db2.gz NZJYMDREQZEPAW-JLHGSKIFSA-N 2 2 356.485 4.396 20 0 FIADLP CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000060626619 1121488877 /nfs/dbraw/zinc/48/88/77/1121488877.db2.gz KIWMKCRBAKHZRU-UHFFFAOYSA-N 2 2 362.477 4.026 20 0 FIADLP C[C@@H](C[NH2+]Cc1cc(F)ccc1Oc1cncc(Cl)c1)Cn1cc[nH+]c1 ZINC001649101242 1121791241 /nfs/dbraw/zinc/79/12/41/1121791241.db2.gz GGFQWNDFJBUCFO-AWEZNQCLSA-N 2 2 374.847 4.289 20 0 FIADLP c1c[nH]c([C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2)n1 ZINC000125619836 1121798232 /nfs/dbraw/zinc/79/82/32/1121798232.db2.gz KOLJMQVPROJHGT-QFIPXVFZSA-N 2 2 360.505 4.275 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(SC2CCCC2)cc1 ZINC000765795951 1122012324 /nfs/dbraw/zinc/01/23/24/1122012324.db2.gz GQJZOBFTJBSESA-UHOSZYNNSA-N 2 2 360.567 4.235 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(SC2CCCC2)cc1 ZINC000765795951 1122012330 /nfs/dbraw/zinc/01/23/30/1122012330.db2.gz GQJZOBFTJBSESA-UHOSZYNNSA-N 2 2 360.567 4.235 20 0 FIADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000128692725 1122377595 /nfs/dbraw/zinc/37/75/95/1122377595.db2.gz MKIXDFSIIPCHLJ-UHFFFAOYSA-N 2 2 360.461 4.029 20 0 FIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000556236577 1122754032 /nfs/dbraw/zinc/75/40/32/1122754032.db2.gz RUPAHAVFBVZGGA-XZOQPEGZSA-N 2 2 368.521 4.069 20 0 FIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000556236577 1122754036 /nfs/dbraw/zinc/75/40/36/1122754036.db2.gz RUPAHAVFBVZGGA-XZOQPEGZSA-N 2 2 368.521 4.069 20 0 FIADLP C[N@@H+](Cc1ccc(C(F)(F)F)cn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000556497129 1122927306 /nfs/dbraw/zinc/92/73/06/1122927306.db2.gz FINIELLDVFBQJB-KRWDZBQOSA-N 2 2 363.427 4.054 20 0 FIADLP C[N@H+](Cc1ccc(C(F)(F)F)cn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000556497129 1122927309 /nfs/dbraw/zinc/92/73/09/1122927309.db2.gz FINIELLDVFBQJB-KRWDZBQOSA-N 2 2 363.427 4.054 20 0 FIADLP C[NH+](Cc1ccc(C(F)(F)F)cn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556497129 1122927314 /nfs/dbraw/zinc/92/73/14/1122927314.db2.gz FINIELLDVFBQJB-KRWDZBQOSA-N 2 2 363.427 4.054 20 0 FIADLP C[NH+](Cc1ccc(C(F)(F)F)cn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556497129 1122927317 /nfs/dbraw/zinc/92/73/17/1122927317.db2.gz FINIELLDVFBQJB-KRWDZBQOSA-N 2 2 363.427 4.054 20 0 FIADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(C)c1OC ZINC000556869144 1123151094 /nfs/dbraw/zinc/15/10/94/1123151094.db2.gz FTRPQRGXQPWDEP-HNNXBMFYSA-N 2 2 369.440 4.188 20 0 FIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cc2c(s1)CCC2 ZINC000132210980 1123231414 /nfs/dbraw/zinc/23/14/14/1123231414.db2.gz HXXNJQLJIMJVIA-INIZCTEOSA-N 2 2 351.519 4.375 20 0 FIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC000237783094 1123657121 /nfs/dbraw/zinc/65/71/21/1123657121.db2.gz OZESRWCPGLZNJT-QSNWEANLSA-N 2 2 368.521 4.302 20 0 FIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC000237783094 1123657133 /nfs/dbraw/zinc/65/71/33/1123657133.db2.gz OZESRWCPGLZNJT-QSNWEANLSA-N 2 2 368.521 4.302 20 0 FIADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134916440 1123693309 /nfs/dbraw/zinc/69/33/09/1123693309.db2.gz NODMPYDPJDFFCX-BEFAXECRSA-N 2 2 357.523 4.160 20 0 FIADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134916440 1123693314 /nfs/dbraw/zinc/69/33/14/1123693314.db2.gz NODMPYDPJDFFCX-BEFAXECRSA-N 2 2 357.523 4.160 20 0 FIADLP Cc1oc(-c2ccsc2)nc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134916440 1123693317 /nfs/dbraw/zinc/69/33/17/1123693317.db2.gz NODMPYDPJDFFCX-BEFAXECRSA-N 2 2 357.523 4.160 20 0 FIADLP Cc1oc(-c2ccsc2)nc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134916440 1123693321 /nfs/dbraw/zinc/69/33/21/1123693321.db2.gz NODMPYDPJDFFCX-BEFAXECRSA-N 2 2 357.523 4.160 20 0 FIADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2nc(-c3cccs3)no2)c1 ZINC000079307361 1123874392 /nfs/dbraw/zinc/87/43/92/1123874392.db2.gz VIRGFFKOEMNMTO-OAHLLOKOSA-N 2 2 370.522 4.491 20 0 FIADLP CCCOc1c(Cl)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000245696080 1124205464 /nfs/dbraw/zinc/20/54/64/1124205464.db2.gz CGCHBCOYGJUITQ-GOEBONIOSA-N 2 2 354.922 4.052 20 0 FIADLP CCCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000245696080 1124205466 /nfs/dbraw/zinc/20/54/66/1124205466.db2.gz CGCHBCOYGJUITQ-GOEBONIOSA-N 2 2 354.922 4.052 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000245696080 1124205469 /nfs/dbraw/zinc/20/54/69/1124205469.db2.gz CGCHBCOYGJUITQ-GOEBONIOSA-N 2 2 354.922 4.052 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000245696080 1124205472 /nfs/dbraw/zinc/20/54/72/1124205472.db2.gz CGCHBCOYGJUITQ-GOEBONIOSA-N 2 2 354.922 4.052 20 0 FIADLP CCc1nn(C)c(CC)c1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245717158 1124218187 /nfs/dbraw/zinc/21/81/87/1124218187.db2.gz HDWNSWISMVKFEL-AZUAARDMSA-N 2 2 368.569 4.030 20 0 FIADLP CCc1nn(C)c(CC)c1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245717158 1124218200 /nfs/dbraw/zinc/21/82/00/1124218200.db2.gz HDWNSWISMVKFEL-AZUAARDMSA-N 2 2 368.569 4.030 20 0 FIADLP CCc1nn(C)c(CC)c1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245717158 1124218206 /nfs/dbraw/zinc/21/82/06/1124218206.db2.gz HDWNSWISMVKFEL-AZUAARDMSA-N 2 2 368.569 4.030 20 0 FIADLP CCc1nn(C)c(CC)c1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245717158 1124218213 /nfs/dbraw/zinc/21/82/13/1124218213.db2.gz HDWNSWISMVKFEL-AZUAARDMSA-N 2 2 368.569 4.030 20 0 FIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246420085 1124499025 /nfs/dbraw/zinc/49/90/25/1124499025.db2.gz BYVPCXQRYIBINT-KPFFTGBYSA-N 2 2 351.494 4.351 20 0 FIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246420085 1124499075 /nfs/dbraw/zinc/49/90/75/1124499075.db2.gz BYVPCXQRYIBINT-KPFFTGBYSA-N 2 2 351.494 4.351 20 0 FIADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246420085 1124499086 /nfs/dbraw/zinc/49/90/86/1124499086.db2.gz BYVPCXQRYIBINT-KPFFTGBYSA-N 2 2 351.494 4.351 20 0 FIADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246420085 1124499092 /nfs/dbraw/zinc/49/90/92/1124499092.db2.gz BYVPCXQRYIBINT-KPFFTGBYSA-N 2 2 351.494 4.351 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000246423429 1124500813 /nfs/dbraw/zinc/50/08/13/1124500813.db2.gz NKNBVWFZFORMCN-PGRDOPGGSA-N 2 2 365.521 4.013 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000246423429 1124500822 /nfs/dbraw/zinc/50/08/22/1124500822.db2.gz NKNBVWFZFORMCN-PGRDOPGGSA-N 2 2 365.521 4.013 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000246516941 1124520405 /nfs/dbraw/zinc/52/04/05/1124520405.db2.gz UKFRRUZGNZTQOW-DENIHFKCSA-N 2 2 351.538 4.151 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000246516941 1124520413 /nfs/dbraw/zinc/52/04/13/1124520413.db2.gz UKFRRUZGNZTQOW-DENIHFKCSA-N 2 2 351.538 4.151 20 0 FIADLP CC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Oc1ccccc1C ZINC000246559530 1124532991 /nfs/dbraw/zinc/53/29/91/1124532991.db2.gz XDDPPWFBAPSZQU-CEMLEFRQSA-N 2 2 367.537 4.048 20 0 FIADLP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Oc1ccccc1C ZINC000246559530 1124532994 /nfs/dbraw/zinc/53/29/94/1124532994.db2.gz XDDPPWFBAPSZQU-CEMLEFRQSA-N 2 2 367.537 4.048 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000246597057 1124538704 /nfs/dbraw/zinc/53/87/04/1124538704.db2.gz ZWHXNBRCHINRMI-NFBKMPQASA-N 2 2 363.549 4.295 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000246597057 1124538715 /nfs/dbraw/zinc/53/87/15/1124538715.db2.gz ZWHXNBRCHINRMI-NFBKMPQASA-N 2 2 363.549 4.295 20 0 FIADLP C[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000246865895 1124568642 /nfs/dbraw/zinc/56/86/42/1124568642.db2.gz AVRXIPFANQAJIH-WMLDXEAASA-N 2 2 356.857 4.275 20 0 FIADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000246865895 1124568647 /nfs/dbraw/zinc/56/86/47/1124568647.db2.gz AVRXIPFANQAJIH-WMLDXEAASA-N 2 2 356.857 4.275 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCCc1ccccc1 ZINC000247100986 1124589852 /nfs/dbraw/zinc/58/98/52/1124589852.db2.gz SGQSGWPLVGDHCV-NFBKMPQASA-N 2 2 351.538 4.295 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCCc1ccccc1 ZINC000247100986 1124589855 /nfs/dbraw/zinc/58/98/55/1124589855.db2.gz SGQSGWPLVGDHCV-NFBKMPQASA-N 2 2 351.538 4.295 20 0 FIADLP Cc1cccc([C@H]2CCC[NH+]2CCC[N@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000140296264 1124595355 /nfs/dbraw/zinc/59/53/55/1124595355.db2.gz SUAYZNDOVMSQPE-DHIUTWEWSA-N 2 2 364.537 4.458 20 0 FIADLP Cc1cccc([C@H]2CCC[NH+]2CCC[N@@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000140296264 1124595357 /nfs/dbraw/zinc/59/53/57/1124595357.db2.gz SUAYZNDOVMSQPE-DHIUTWEWSA-N 2 2 364.537 4.458 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000247948544 1124732419 /nfs/dbraw/zinc/73/24/19/1124732419.db2.gz DTMQVWHEKNCKOA-WIYYLYMNSA-N 2 2 367.562 4.207 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000247948544 1124732424 /nfs/dbraw/zinc/73/24/24/1124732424.db2.gz DTMQVWHEKNCKOA-WIYYLYMNSA-N 2 2 367.562 4.207 20 0 FIADLP CCc1nc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cs1 ZINC000248418781 1124766066 /nfs/dbraw/zinc/76/60/66/1124766066.db2.gz TYKADKWXPVENPK-WZGPROSRSA-N 2 2 355.551 4.267 20 0 FIADLP CCc1nc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cs1 ZINC000248418781 1124766073 /nfs/dbraw/zinc/76/60/73/1124766073.db2.gz TYKADKWXPVENPK-WZGPROSRSA-N 2 2 355.551 4.267 20 0 FIADLP OC(C[NH+]1CCC[C@H]1c1cccs1)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000248734685 1124807668 /nfs/dbraw/zinc/80/76/68/1124807668.db2.gz MKIUZVPGVPIMOC-IRXDYDNUSA-N 2 2 362.564 4.145 20 0 FIADLP OC(C[NH+]1CCC[C@H]1c1cccs1)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000248734685 1124807672 /nfs/dbraw/zinc/80/76/72/1124807672.db2.gz MKIUZVPGVPIMOC-IRXDYDNUSA-N 2 2 362.564 4.145 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000248838879 1124818784 /nfs/dbraw/zinc/81/87/84/1124818784.db2.gz KTDYPJGLXCPTPQ-WGDIFIGCSA-N 2 2 367.518 4.111 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000248838879 1124818786 /nfs/dbraw/zinc/81/87/86/1124818786.db2.gz KTDYPJGLXCPTPQ-WGDIFIGCSA-N 2 2 367.518 4.111 20 0 FIADLP Cc1cc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c(C)s1 ZINC001168686265 1124824612 /nfs/dbraw/zinc/82/46/12/1124824612.db2.gz QSVZKHDRATXRNH-GOSISDBHSA-N 2 2 357.567 4.228 20 0 FIADLP CCn1c2ccccc2nc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000090036950 1124977455 /nfs/dbraw/zinc/97/74/55/1124977455.db2.gz YRRRTRTZXANPJJ-GOSISDBHSA-N 2 2 362.521 4.371 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000090667953 1125013827 /nfs/dbraw/zinc/01/38/27/1125013827.db2.gz BBXLSQGCDJZQGL-VGOFRKELSA-N 2 2 367.562 4.227 20 0 FIADLP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H](C)c3ccncc3)CC1)CCCO2 ZINC000090667853 1125013925 /nfs/dbraw/zinc/01/39/25/1125013925.db2.gz HIGGEWLXSRLCOB-GCJKJVERSA-N 2 2 365.521 4.419 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1nc2ccccc2n1C ZINC000091313597 1125064350 /nfs/dbraw/zinc/06/43/50/1125064350.db2.gz VZLQURSBNBJICV-IRXDYDNUSA-N 2 2 368.550 4.198 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1nc2ccccc2n1C ZINC000091313597 1125064359 /nfs/dbraw/zinc/06/43/59/1125064359.db2.gz VZLQURSBNBJICV-IRXDYDNUSA-N 2 2 368.550 4.198 20 0 FIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000113340178 1125155023 /nfs/dbraw/zinc/15/50/23/1125155023.db2.gz PBPMFARYCRTRCD-ZDUSSCGKSA-N 2 2 369.456 4.260 20 0 FIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000113340178 1125155026 /nfs/dbraw/zinc/15/50/26/1125155026.db2.gz PBPMFARYCRTRCD-ZDUSSCGKSA-N 2 2 369.456 4.260 20 0 FIADLP C[N@@H+](Cc1cnc(C2CCC2)s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093337013 1125305903 /nfs/dbraw/zinc/30/59/03/1125305903.db2.gz XAHHSZLTQXWSAA-SFHVURJKSA-N 2 2 355.551 4.365 20 0 FIADLP C[N@H+](Cc1cnc(C2CCC2)s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093337013 1125305929 /nfs/dbraw/zinc/30/59/29/1125305929.db2.gz XAHHSZLTQXWSAA-SFHVURJKSA-N 2 2 355.551 4.365 20 0 FIADLP C[NH+](Cc1cnc(C2CCC2)s1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093337013 1125305951 /nfs/dbraw/zinc/30/59/51/1125305951.db2.gz XAHHSZLTQXWSAA-SFHVURJKSA-N 2 2 355.551 4.365 20 0 FIADLP C[NH+](Cc1cnc(C2CCC2)s1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093337013 1125305973 /nfs/dbraw/zinc/30/59/73/1125305973.db2.gz XAHHSZLTQXWSAA-SFHVURJKSA-N 2 2 355.551 4.365 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1nc2c(s1)CCCC2 ZINC000093396973 1125317704 /nfs/dbraw/zinc/31/77/04/1125317704.db2.gz UJKSKNITFJOFSS-HNNXBMFYSA-N 2 2 352.507 4.118 20 0 FIADLP FC(F)Oc1cccc(Cl)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000602909609 568010899 /nfs/dbraw/zinc/01/08/99/568010899.db2.gz DEERNGZHUJTOGD-UHFFFAOYSA-N 2 2 363.795 4.417 20 0 FIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000605085802 568559342 /nfs/dbraw/zinc/55/93/42/568559342.db2.gz KAQLXCUFOMLFDX-GOSISDBHSA-N 2 2 374.488 4.499 20 0 FIADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000605085802 568559344 /nfs/dbraw/zinc/55/93/44/568559344.db2.gz KAQLXCUFOMLFDX-GOSISDBHSA-N 2 2 374.488 4.499 20 0 FIADLP Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)[nH+]c2ccccc12 ZINC001164862983 720956218 /nfs/dbraw/zinc/95/62/18/720956218.db2.gz XOFWSFDTYBQWFP-KRWDZBQOSA-N 2 2 363.509 4.161 20 0 FIADLP Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)[nH+]c2ccccc12 ZINC001164862983 720956242 /nfs/dbraw/zinc/95/62/42/720956242.db2.gz XOFWSFDTYBQWFP-KRWDZBQOSA-N 2 2 363.509 4.161 20 0 FIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)c(Br)c1 ZINC000152744764 1125641000 /nfs/dbraw/zinc/64/10/00/1125641000.db2.gz XWGNTYXWHGXIBZ-LBPRGKRZSA-N 2 2 366.278 4.014 20 0 FIADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(Br)c1 ZINC000152811770 1125659279 /nfs/dbraw/zinc/65/92/79/1125659279.db2.gz NCKNSJGBHANCAH-KRWDZBQOSA-N 2 2 362.315 4.265 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(OC(F)(F)F)c1 ZINC000152829272 1125662432 /nfs/dbraw/zinc/66/24/32/1125662432.db2.gz FWKAQNNOHOLJBG-CYBMUJFWSA-N 2 2 353.388 4.011 20 0 FIADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000153242654 1125764090 /nfs/dbraw/zinc/76/40/90/1125764090.db2.gz AHNRUVUNPHEARB-SFHVURJKSA-N 2 2 368.569 4.304 20 0 FIADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1F ZINC000683229308 1080059716 /nfs/dbraw/zinc/05/97/16/1080059716.db2.gz BHWABEPYMYMQRE-WIYYLYMNSA-N 2 2 356.485 4.076 20 0 FIADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1F ZINC000683229308 1080059725 /nfs/dbraw/zinc/05/97/25/1080059725.db2.gz BHWABEPYMYMQRE-WIYYLYMNSA-N 2 2 356.485 4.076 20 0 FIADLP c1cnc(OC2CCCC2)c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC001648790063 1080338322 /nfs/dbraw/zinc/33/83/22/1080338322.db2.gz WWHHBXJJONIEGW-UHFFFAOYSA-N 2 2 357.542 4.290 20 0 FIADLP Brc1ccccc1[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000179992101 1080403281 /nfs/dbraw/zinc/40/32/81/1080403281.db2.gz AWKUTUPOXMPOAD-GOSISDBHSA-N 2 2 356.267 4.025 20 0 FIADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)CC3 ZINC000180082626 1080437127 /nfs/dbraw/zinc/43/71/27/1080437127.db2.gz AXFRUFJQYDUKSV-HXUWFJFHSA-N 2 2 370.500 4.368 20 0 FIADLP COc1ccc2[nH+]c(N3Cc4ccccc4C4(CC[NH2+]CC4)C3)cc(C)c2c1 ZINC001167159572 1080766282 /nfs/dbraw/zinc/76/62/82/1080766282.db2.gz DDWBSSKPSKUHER-UHFFFAOYSA-N 2 2 373.500 4.193 20 0 FIADLP CC(C)Cc1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000655704794 1081126323 /nfs/dbraw/zinc/12/63/23/1081126323.db2.gz KWXIVKIPYQKALZ-DHIUTWEWSA-N 2 2 356.554 4.179 20 0 FIADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655708491 1081132918 /nfs/dbraw/zinc/13/29/18/1081132918.db2.gz QSXQFYLTRMSZJJ-RBUKOAKNSA-N 2 2 370.459 4.390 20 0 FIADLP Fc1cccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc2)c1 ZINC000655722942 1081142327 /nfs/dbraw/zinc/14/23/27/1081142327.db2.gz JRUFVXVTONLZSH-GOTSBHOMSA-N 2 2 368.496 4.148 20 0 FIADLP c1ccc(-c2ccc3c(c2)[C@H]([NH2+]C2CC[NH+]([C@H]4CCOC4)CC2)CC3)cc1 ZINC000655756157 1081177073 /nfs/dbraw/zinc/17/70/73/1081177073.db2.gz PLLFVIFLZZDRHS-LADGPHEKSA-N 2 2 362.517 4.184 20 0 FIADLP Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001648830513 1081268553 /nfs/dbraw/zinc/26/85/53/1081268553.db2.gz URHJFDRTYDXJJX-UHFFFAOYSA-N 2 2 356.510 4.008 20 0 FIADLP C[C@@H](C[NH2+]CC(C)(C)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC001648889267 1081344531 /nfs/dbraw/zinc/34/45/31/1081344531.db2.gz OJGBPAOYQGHPOS-HNNXBMFYSA-N 2 2 353.348 4.191 20 0 FIADLP Fc1cc(F)cc(C2CC([NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)C2)c1 ZINC000580005124 1081384263 /nfs/dbraw/zinc/38/42/63/1081384263.db2.gz VOGVOLWDEAYYFJ-UHFFFAOYSA-N 2 2 353.416 4.245 20 0 FIADLP c1cn(Cc2ccccc2C[NH2+]Cc2cccc(-c3ccncc3)c2)c[nH+]1 ZINC000580006442 1081385390 /nfs/dbraw/zinc/38/53/90/1081385390.db2.gz ZLHXSALRVGGTQV-UHFFFAOYSA-N 2 2 354.457 4.283 20 0 FIADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CC3 ZINC000123132965 1081424685 /nfs/dbraw/zinc/42/46/85/1081424685.db2.gz UYGCVPCDBOAQAM-KRWDZBQOSA-N 2 2 372.472 4.009 20 0 FIADLP COC[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(Cl)cc1 ZINC000683818009 1081625808 /nfs/dbraw/zinc/62/58/08/1081625808.db2.gz DHAWTUQCKFBRLW-PMACEKPBSA-N 2 2 369.896 4.335 20 0 FIADLP Brc1c2ccccc2oc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000656250661 1082013248 /nfs/dbraw/zinc/01/32/48/1082013248.db2.gz WZNWJSZSMRQKOQ-LBPRGKRZSA-N 2 2 360.255 4.298 20 0 FIADLP Brc1c2ccccc2oc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000656250661 1082013255 /nfs/dbraw/zinc/01/32/55/1082013255.db2.gz WZNWJSZSMRQKOQ-LBPRGKRZSA-N 2 2 360.255 4.298 20 0 FIADLP CCn1nc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000312936526 1082049836 /nfs/dbraw/zinc/04/98/36/1082049836.db2.gz FRPSIODFFOQICF-UYAOXDASSA-N 2 2 362.521 4.056 20 0 FIADLP CCn1nc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000312936526 1082049842 /nfs/dbraw/zinc/04/98/42/1082049842.db2.gz FRPSIODFFOQICF-UYAOXDASSA-N 2 2 362.521 4.056 20 0 FIADLP Fc1ccc([C@@H](C[C@@H]2CCCO2)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000581004714 1082275305 /nfs/dbraw/zinc/27/53/05/1082275305.db2.gz QFTHAOXQINTYRV-FCHUYYIVSA-N 2 2 365.452 4.411 20 0 FIADLP Cc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1Br ZINC001167443408 1082286415 /nfs/dbraw/zinc/28/64/15/1082286415.db2.gz UFBVWVMRAYQVGA-KRWDZBQOSA-N 2 2 351.332 4.208 20 0 FIADLP Cc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1Br ZINC001167443408 1082286422 /nfs/dbraw/zinc/28/64/22/1082286422.db2.gz UFBVWVMRAYQVGA-KRWDZBQOSA-N 2 2 351.332 4.208 20 0 FIADLP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2nc3ccccc3o2)cc1 ZINC000656402046 1082332218 /nfs/dbraw/zinc/33/22/18/1082332218.db2.gz CVJQQOOFSREAGA-HIUFNZKISA-N 2 2 373.500 4.170 20 0 FIADLP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2nc3ccccc3o2)cc1 ZINC000656402046 1082332224 /nfs/dbraw/zinc/33/22/24/1082332224.db2.gz CVJQQOOFSREAGA-HIUFNZKISA-N 2 2 373.500 4.170 20 0 FIADLP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2Cc2nc3ccccc3o2)cc1 ZINC000656402046 1082332231 /nfs/dbraw/zinc/33/22/31/1082332231.db2.gz CVJQQOOFSREAGA-HIUFNZKISA-N 2 2 373.500 4.170 20 0 FIADLP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2Cc2nc3ccccc3o2)cc1 ZINC000656402046 1082332239 /nfs/dbraw/zinc/33/22/39/1082332239.db2.gz CVJQQOOFSREAGA-HIUFNZKISA-N 2 2 373.500 4.170 20 0 FIADLP Cc1cnsc1C[N@@H+]1CCC[C@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001279482753 1082477377 /nfs/dbraw/zinc/47/73/77/1082477377.db2.gz LSNUTJXKJOVLGQ-MRXNPFEDSA-N 2 2 361.477 4.082 20 0 FIADLP Cc1cnsc1C[N@H+]1CCC[C@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001279482753 1082477381 /nfs/dbraw/zinc/47/73/81/1082477381.db2.gz LSNUTJXKJOVLGQ-MRXNPFEDSA-N 2 2 361.477 4.082 20 0 FIADLP Cc1cnsc1C[NH+]1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001279482753 1082477386 /nfs/dbraw/zinc/47/73/86/1082477386.db2.gz LSNUTJXKJOVLGQ-MRXNPFEDSA-N 2 2 361.477 4.082 20 0 FIADLP Cc1cnsc1C[NH+]1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001279482753 1082477390 /nfs/dbraw/zinc/47/73/90/1082477390.db2.gz LSNUTJXKJOVLGQ-MRXNPFEDSA-N 2 2 361.477 4.082 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1ccco1)Cc1ccc(O)cc1 ZINC000581454576 1082585993 /nfs/dbraw/zinc/58/59/93/1082585993.db2.gz OLHOFQZEKKHIEY-UHFFFAOYSA-N 2 2 374.444 4.077 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1ccco1)Cc1ccc(O)cc1 ZINC000581454576 1082585998 /nfs/dbraw/zinc/58/59/98/1082585998.db2.gz OLHOFQZEKKHIEY-UHFFFAOYSA-N 2 2 374.444 4.077 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000581877077 1082948606 /nfs/dbraw/zinc/94/86/06/1082948606.db2.gz LVVSWKVTLOATOQ-COXVUDFISA-N 2 2 361.942 4.284 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000581877077 1082948609 /nfs/dbraw/zinc/94/86/09/1082948609.db2.gz LVVSWKVTLOATOQ-COXVUDFISA-N 2 2 361.942 4.284 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]CCSCc3ccccc3)C2)CC1 ZINC000430752675 1083150130 /nfs/dbraw/zinc/15/01/30/1083150130.db2.gz DOGYCXGDNGBVNF-UHFFFAOYSA-N 2 2 372.500 4.315 20 0 FIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648447 1083462583 /nfs/dbraw/zinc/46/25/83/1083462583.db2.gz YFIXCFZGMCXBBH-UHFFFAOYSA-N 2 2 369.900 4.176 20 0 FIADLP CC(C)(C)Oc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000180889807 1083515668 /nfs/dbraw/zinc/51/56/68/1083515668.db2.gz ZNDACOOSDGKBLQ-UHFFFAOYSA-N 2 2 353.510 4.013 20 0 FIADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000535838252 1083794633 /nfs/dbraw/zinc/79/46/33/1083794633.db2.gz KVMZVWRNFGZRMZ-JRFVFWCSSA-N 2 2 364.533 4.409 20 0 FIADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000535838252 1083794642 /nfs/dbraw/zinc/79/46/42/1083794642.db2.gz KVMZVWRNFGZRMZ-JRFVFWCSSA-N 2 2 364.533 4.409 20 0 FIADLP CC(C)c1nnc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000892507191 1083944016 /nfs/dbraw/zinc/94/40/16/1083944016.db2.gz VIPOWIUGKGSIPI-UHFFFAOYSA-N 2 2 358.555 4.183 20 0 FIADLP COC(=O)c1coc([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510997532 1084072875 /nfs/dbraw/zinc/07/28/75/1084072875.db2.gz VJVREQJFSMOAEF-OXQOHEQNSA-N 2 2 370.493 4.018 20 0 FIADLP COC(=O)c1coc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510997532 1084072888 /nfs/dbraw/zinc/07/28/88/1084072888.db2.gz VJVREQJFSMOAEF-OXQOHEQNSA-N 2 2 370.493 4.018 20 0 FIADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)cc2c1C ZINC000472035388 1084125478 /nfs/dbraw/zinc/12/54/78/1084125478.db2.gz QBRPXMSICBADJA-MRXNPFEDSA-N 2 2 350.510 4.383 20 0 FIADLP CCn1nc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c2ccccc21 ZINC000472054821 1084191343 /nfs/dbraw/zinc/19/13/43/1084191343.db2.gz WLIFORNGIUFGQX-QGZVFWFLSA-N 2 2 368.550 4.120 20 0 FIADLP CCn1nc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c2ccccc21 ZINC000472054821 1084191359 /nfs/dbraw/zinc/19/13/59/1084191359.db2.gz WLIFORNGIUFGQX-QGZVFWFLSA-N 2 2 368.550 4.120 20 0 FIADLP COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000177807120 1084341129 /nfs/dbraw/zinc/34/11/29/1084341129.db2.gz SKYOZIXLPRGWAI-CQSZACIVSA-N 2 2 371.868 4.394 20 0 FIADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)c[nH+]1 ZINC000431323509 1084349196 /nfs/dbraw/zinc/34/91/96/1084349196.db2.gz NILVQCSVCGGSJA-OAQYLSRUSA-N 2 2 359.473 4.365 20 0 FIADLP C[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1CCCOC1 ZINC000511048783 1084364931 /nfs/dbraw/zinc/36/49/31/1084364931.db2.gz PMVXDUGBBOVPLF-OUJCMCIWSA-N 2 2 364.533 4.059 20 0 FIADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1CCCOC1 ZINC000511048783 1084364940 /nfs/dbraw/zinc/36/49/40/1084364940.db2.gz PMVXDUGBBOVPLF-OUJCMCIWSA-N 2 2 364.533 4.059 20 0 FIADLP COc1ccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(C)c1 ZINC000414099234 1084555268 /nfs/dbraw/zinc/55/52/68/1084555268.db2.gz QARVLLAOXAXHBF-QGZVFWFLSA-N 2 2 368.525 4.102 20 0 FIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000657365099 1084746186 /nfs/dbraw/zinc/74/61/86/1084746186.db2.gz FPRSRBKGBKXGPE-QGZVFWFLSA-N 2 2 352.526 4.003 20 0 FIADLP C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261775703 1084881403 /nfs/dbraw/zinc/88/14/03/1084881403.db2.gz XIWXPXOLAOSFJW-MXWKQRLJSA-N 2 2 354.338 4.454 20 0 FIADLP C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261775703 1084881407 /nfs/dbraw/zinc/88/14/07/1084881407.db2.gz XIWXPXOLAOSFJW-MXWKQRLJSA-N 2 2 354.338 4.454 20 0 FIADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1nc2ccccc2n1C(F)F ZINC000116396209 1085359462 /nfs/dbraw/zinc/35/94/62/1085359462.db2.gz TXDXIZJXKDFCRR-CZUORRHYSA-N 2 2 352.473 4.448 20 0 FIADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)C1 ZINC000613821625 1085728080 /nfs/dbraw/zinc/72/80/80/1085728080.db2.gz UDBHFILXCVRRPV-SFHVURJKSA-N 2 2 374.488 4.357 20 0 FIADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)C1 ZINC000613821625 1085728093 /nfs/dbraw/zinc/72/80/93/1085728093.db2.gz UDBHFILXCVRRPV-SFHVURJKSA-N 2 2 374.488 4.357 20 0 FIADLP Fc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2Cl)cc1 ZINC000582994563 1086004393 /nfs/dbraw/zinc/00/43/93/1086004393.db2.gz HKRFBRPMABPFKR-YWZLYKJASA-N 2 2 355.844 4.439 20 0 FIADLP CCOC(=O)C1CCC([NH2+][C@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000709645375 1086462718 /nfs/dbraw/zinc/46/27/18/1086462718.db2.gz KUGFNLYWMSWYMV-HRTMPFAESA-N 2 2 372.553 4.143 20 0 FIADLP CCOC(=O)C1CCC([NH2+][C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000709645375 1086462723 /nfs/dbraw/zinc/46/27/23/1086462723.db2.gz KUGFNLYWMSWYMV-HRTMPFAESA-N 2 2 372.553 4.143 20 0 FIADLP Fc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c2cccnc2)cc1 ZINC000663465493 1086565675 /nfs/dbraw/zinc/56/56/75/1086565675.db2.gz KFLKCHVGOGTMHG-GCJKJVERSA-N 2 2 353.485 4.022 20 0 FIADLP Fc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c2cccnc2)cc1 ZINC000663465493 1086565681 /nfs/dbraw/zinc/56/56/81/1086565681.db2.gz KFLKCHVGOGTMHG-GCJKJVERSA-N 2 2 353.485 4.022 20 0 FIADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccccc3)cc2F)CCCO1 ZINC000432352053 1086649636 /nfs/dbraw/zinc/64/96/36/1086649636.db2.gz UXRLWOWUAIWFLP-SFHVURJKSA-N 2 2 356.485 4.083 20 0 FIADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccccc3)cc2F)CCCO1 ZINC000432352053 1086649641 /nfs/dbraw/zinc/64/96/41/1086649641.db2.gz UXRLWOWUAIWFLP-SFHVURJKSA-N 2 2 356.485 4.083 20 0 FIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000585750078 1086685811 /nfs/dbraw/zinc/68/58/11/1086685811.db2.gz FUBJNOCCPVFMNC-FYYLOGMGSA-N 2 2 361.489 4.472 20 0 FIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000585750078 1086685814 /nfs/dbraw/zinc/68/58/14/1086685814.db2.gz FUBJNOCCPVFMNC-FYYLOGMGSA-N 2 2 361.489 4.472 20 0 FIADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1SC(F)(F)F ZINC000759967530 1086712312 /nfs/dbraw/zinc/71/23/12/1086712312.db2.gz QEBJBQOBCRSGTG-CQSZACIVSA-N 2 2 362.461 4.223 20 0 FIADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1SC(F)(F)F ZINC000759967530 1086712320 /nfs/dbraw/zinc/71/23/20/1086712320.db2.gz QEBJBQOBCRSGTG-CQSZACIVSA-N 2 2 362.461 4.223 20 0 FIADLP CC(C)COc1ccc(C(C)(C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000512053079 1086715377 /nfs/dbraw/zinc/71/53/77/1086715377.db2.gz OLFKPQCQJMTVCU-UHFFFAOYSA-N 2 2 361.555 4.264 20 0 FIADLP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001167840656 1086727180 /nfs/dbraw/zinc/72/71/80/1086727180.db2.gz GYTQBNLDHQJVHX-LJQANCHMSA-N 3 2 363.565 4.232 20 0 FIADLP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001167840656 1086727188 /nfs/dbraw/zinc/72/71/88/1086727188.db2.gz GYTQBNLDHQJVHX-LJQANCHMSA-N 3 2 363.565 4.232 20 0 FIADLP CCc1cnc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000657772045 1086827633 /nfs/dbraw/zinc/82/76/33/1086827633.db2.gz JEFYRFUCKLFOIN-SFHVURJKSA-N 2 2 355.551 4.097 20 0 FIADLP CCc1cnc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000657772045 1086827655 /nfs/dbraw/zinc/82/76/55/1086827655.db2.gz JEFYRFUCKLFOIN-SFHVURJKSA-N 2 2 355.551 4.097 20 0 FIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cccc2Br ZINC000318604298 1086844767 /nfs/dbraw/zinc/84/47/67/1086844767.db2.gz ADYYMNLZUDYGGW-SJORKVTESA-N 2 2 362.315 4.337 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000512182470 1086905144 /nfs/dbraw/zinc/90/51/44/1086905144.db2.gz RXYGTDYBMZWPKZ-NRFANRHFSA-N 2 2 366.553 4.125 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000512182470 1086905151 /nfs/dbraw/zinc/90/51/51/1086905151.db2.gz RXYGTDYBMZWPKZ-NRFANRHFSA-N 2 2 366.553 4.125 20 0 FIADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000467133224 1086911605 /nfs/dbraw/zinc/91/16/05/1086911605.db2.gz GIIUTRYMDUOLQZ-UHFFFAOYSA-N 2 2 372.557 4.083 20 0 FIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccncc1C ZINC000583792917 1086964510 /nfs/dbraw/zinc/96/45/10/1086964510.db2.gz YBSOOCPCPBKRTJ-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccncc1C ZINC000583792917 1086964514 /nfs/dbraw/zinc/96/45/14/1086964514.db2.gz YBSOOCPCPBKRTJ-UHFFFAOYSA-N 2 2 364.493 4.078 20 0 FIADLP COc1cc(OC)cc(Oc2cccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)c2)c1 ZINC000583887994 1087013479 /nfs/dbraw/zinc/01/34/79/1087013479.db2.gz NWWYPSDRIFRQHC-SJLPKXTDSA-N 2 2 370.493 4.068 20 0 FIADLP COc1cc(OC)cc(Oc2cccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)c1 ZINC000583887994 1087013487 /nfs/dbraw/zinc/01/34/87/1087013487.db2.gz NWWYPSDRIFRQHC-SJLPKXTDSA-N 2 2 370.493 4.068 20 0 FIADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)s2)o1 ZINC000092812906 1087080273 /nfs/dbraw/zinc/08/02/73/1087080273.db2.gz LTAHVDVYFUBEPH-HNNXBMFYSA-N 2 2 354.479 4.041 20 0 FIADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)s2)o1 ZINC000092812906 1087080275 /nfs/dbraw/zinc/08/02/75/1087080275.db2.gz LTAHVDVYFUBEPH-HNNXBMFYSA-N 2 2 354.479 4.041 20 0 FIADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000151356765 1087094467 /nfs/dbraw/zinc/09/44/67/1087094467.db2.gz UQGNCACAKYQVQH-LLVKDONJSA-N 2 2 365.732 4.144 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(Cl)ccc1Cl ZINC000133148724 1087125252 /nfs/dbraw/zinc/12/52/52/1087125252.db2.gz YAZRMICRDFVXIM-KGLIPLIRSA-N 2 2 357.325 4.145 20 0 FIADLP C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000151685084 1087205044 /nfs/dbraw/zinc/20/50/44/1087205044.db2.gz DRSRFOJNNJXAKP-IRXDYDNUSA-N 2 2 363.461 4.445 20 0 FIADLP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)cc1 ZINC000278668259 1087214480 /nfs/dbraw/zinc/21/44/80/1087214480.db2.gz NXKBJMKXQMPLQQ-UHFFFAOYSA-N 2 2 357.445 4.294 20 0 FIADLP COc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c(F)c1 ZINC000584236166 1087230117 /nfs/dbraw/zinc/23/01/17/1087230117.db2.gz VMZJKSITQSZCJF-OAQYLSRUSA-N 2 2 353.441 4.179 20 0 FIADLP COc1ccccc1[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC000091284637 1087426543 /nfs/dbraw/zinc/42/65/43/1087426543.db2.gz XHCQXZHNPGIHIB-JOCHJYFZSA-N 2 2 353.510 4.292 20 0 FIADLP COC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)c(F)c1 ZINC000091413933 1087429271 /nfs/dbraw/zinc/42/92/71/1087429271.db2.gz PYNZIPJMJJEMHZ-FQEVSTJZSA-N 2 2 352.469 4.039 20 0 FIADLP Brc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091479848 1087430106 /nfs/dbraw/zinc/43/01/06/1087430106.db2.gz DOJFRXKWTAXTHC-GFCCVEGCSA-N 2 2 357.255 4.104 20 0 FIADLP Fc1cccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2cccc(Cl)c2)c1 ZINC000685662278 1087668111 /nfs/dbraw/zinc/66/81/11/1087668111.db2.gz GDFWQCHTBSJNSN-XLIONFOSSA-N 2 2 355.844 4.439 20 0 FIADLP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)c1cccc(OC)c1 ZINC000658165569 1087759388 /nfs/dbraw/zinc/75/93/88/1087759388.db2.gz RUQDEXBFXXHOQS-WEYGHZABSA-N 2 2 360.542 4.015 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000424261417 1087882227 /nfs/dbraw/zinc/88/22/27/1087882227.db2.gz FATRVJJGJOQMCM-MRXNPFEDSA-N 2 2 374.912 4.032 20 0 FIADLP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889864 1088048195 /nfs/dbraw/zinc/04/81/95/1088048195.db2.gz VSOGQLKGSZCKSV-INIZCTEOSA-N 2 2 374.554 4.447 20 0 FIADLP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000423363025 1088168830 /nfs/dbraw/zinc/16/88/30/1088168830.db2.gz IRHRLSJLEDFNDP-CPUCHLNUSA-N 2 2 367.262 4.130 20 0 FIADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1O ZINC000414839448 1088440687 /nfs/dbraw/zinc/44/06/87/1088440687.db2.gz WJUQNEPKDCWMHX-UZLBHIALSA-N 2 2 356.510 4.135 20 0 FIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(Oc3cnccn3)cc2)cc1 ZINC000414845204 1088582496 /nfs/dbraw/zinc/58/24/96/1088582496.db2.gz LVGMCHMWOLULFO-OAQYLSRUSA-N 2 2 362.477 4.182 20 0 FIADLP C[NH+](C/C=C\C[N@@H+](C)Cc1ccc(F)cc1F)Cc1ccc(F)cc1F ZINC000613582117 1088668207 /nfs/dbraw/zinc/66/82/07/1088668207.db2.gz DIPVXTKSSURJHP-ARJAWSKDSA-N 2 2 366.402 4.363 20 0 FIADLP C[NH+](C/C=C\C[N@H+](C)Cc1ccc(F)cc1F)Cc1ccc(F)cc1F ZINC000613582117 1088668212 /nfs/dbraw/zinc/66/82/12/1088668212.db2.gz DIPVXTKSSURJHP-ARJAWSKDSA-N 2 2 366.402 4.363 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000168420038 1088743536 /nfs/dbraw/zinc/74/35/36/1088743536.db2.gz DNPQMKDUCBQTQU-CYBMUJFWSA-N 2 2 361.367 4.464 20 0 FIADLP Cc1ccc2c(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)ccc(O)c2n1 ZINC000514238375 1088931991 /nfs/dbraw/zinc/93/19/91/1088931991.db2.gz DNSDTGNVVQLTPG-UHFFFAOYSA-N 2 2 364.493 4.138 20 0 FIADLP c1coc(-c2nc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cs2)c1 ZINC000434675003 1088939567 /nfs/dbraw/zinc/93/95/67/1088939567.db2.gz JXWQYMSJDCQQCT-UHFFFAOYSA-N 2 2 368.506 4.316 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434738346 1089007667 /nfs/dbraw/zinc/00/76/67/1089007667.db2.gz RSLPASGGCGPPAM-DJPFJPOOSA-N 2 2 358.505 4.025 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434738346 1089007684 /nfs/dbraw/zinc/00/76/84/1089007684.db2.gz RSLPASGGCGPPAM-DJPFJPOOSA-N 2 2 358.505 4.025 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H](C)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434738346 1089007695 /nfs/dbraw/zinc/00/76/95/1089007695.db2.gz RSLPASGGCGPPAM-DJPFJPOOSA-N 2 2 358.505 4.025 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434738346 1089007712 /nfs/dbraw/zinc/00/77/12/1089007712.db2.gz RSLPASGGCGPPAM-DJPFJPOOSA-N 2 2 358.505 4.025 20 0 FIADLP COc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1Cl ZINC000549164098 1089079248 /nfs/dbraw/zinc/07/92/48/1089079248.db2.gz DFGHFCBPWOZASQ-IBGZPJMESA-N 2 2 373.928 4.134 20 0 FIADLP COc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1Cl ZINC000549164098 1089079265 /nfs/dbraw/zinc/07/92/65/1089079265.db2.gz DFGHFCBPWOZASQ-IBGZPJMESA-N 2 2 373.928 4.134 20 0 FIADLP Fc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(Br)c1 ZINC000415109876 1089165912 /nfs/dbraw/zinc/16/59/12/1089165912.db2.gz RZXOMAFKBMPVSV-SJLPKXTDSA-N 2 2 363.274 4.171 20 0 FIADLP Fc1ccc2nc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)sc2c1 ZINC000435055693 1089246194 /nfs/dbraw/zinc/24/61/94/1089246194.db2.gz CXTUVBCMHDZYCN-UHFFFAOYSA-N 2 2 370.497 4.348 20 0 FIADLP CC(C)c1cnc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000435430121 1089649790 /nfs/dbraw/zinc/64/97/90/1089649790.db2.gz YIJGXQGXCRIESM-QGZVFWFLSA-N 2 2 361.580 4.472 20 0 FIADLP CC(C)c1cnc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000435430121 1089649803 /nfs/dbraw/zinc/64/98/03/1089649803.db2.gz YIJGXQGXCRIESM-QGZVFWFLSA-N 2 2 361.580 4.472 20 0 FIADLP CC(C)c1nnc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)s1 ZINC000893019321 1089675092 /nfs/dbraw/zinc/67/50/92/1089675092.db2.gz RAZUNTWITMIFGI-UHFFFAOYSA-N 2 2 370.522 4.176 20 0 FIADLP CC(C)c1nnc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)s1 ZINC000893019321 1089675098 /nfs/dbraw/zinc/67/50/98/1089675098.db2.gz RAZUNTWITMIFGI-UHFFFAOYSA-N 2 2 370.522 4.176 20 0 FIADLP Cc1cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c2c(n1)CCCC2 ZINC000893078205 1089810621 /nfs/dbraw/zinc/81/06/21/1089810621.db2.gz CKKKHFNDIAWEMF-JOCHJYFZSA-N 2 2 360.505 4.076 20 0 FIADLP C[N@H+](CC[C@@H]1CCc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659991559 1090374085 /nfs/dbraw/zinc/37/40/85/1090374085.db2.gz VONKRVQTFGJGOU-NRFANRHFSA-N 2 2 363.549 4.140 20 0 FIADLP C[N@@H+](CC[C@@H]1CCc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659991559 1090374091 /nfs/dbraw/zinc/37/40/91/1090374091.db2.gz VONKRVQTFGJGOU-NRFANRHFSA-N 2 2 363.549 4.140 20 0 FIADLP CCc1nc([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cs1 ZINC000162369665 1090764487 /nfs/dbraw/zinc/76/44/87/1090764487.db2.gz NKNWSLBDOTZTAM-HNNXBMFYSA-N 2 2 358.555 4.091 20 0 FIADLP C[NH+]1CCC([N@H+](Cc2cc3ccc(F)cc3[nH]2)Cc2ccccc2)CC1 ZINC000584747237 1090834088 /nfs/dbraw/zinc/83/40/88/1090834088.db2.gz QUPQZRSPLUBBCB-UHFFFAOYSA-N 2 2 351.469 4.403 20 0 FIADLP C[NH+]1CCC([N@@H+](Cc2cc3ccc(F)cc3[nH]2)Cc2ccccc2)CC1 ZINC000584747237 1090834100 /nfs/dbraw/zinc/83/41/00/1090834100.db2.gz QUPQZRSPLUBBCB-UHFFFAOYSA-N 2 2 351.469 4.403 20 0 FIADLP CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)[C@H]1CC1(C)C ZINC000417354635 1090835188 /nfs/dbraw/zinc/83/51/88/1090835188.db2.gz ZUULBSJWDHPQQG-FGZHOGPDSA-N 2 2 371.569 4.414 20 0 FIADLP CCC[C@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)[C@H]1CC1(C)C ZINC000417354637 1090835348 /nfs/dbraw/zinc/83/53/48/1090835348.db2.gz ZUULBSJWDHPQQG-YADHBBJMSA-N 2 2 371.569 4.414 20 0 FIADLP C[C@H]([NH2+]C1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCOCC1)c1ccccc1 ZINC000417922625 1090994451 /nfs/dbraw/zinc/99/44/51/1090994451.db2.gz JGKXXYXZRAEWQX-VJBMBRPKSA-N 2 2 364.533 4.280 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000390519711 1091162912 /nfs/dbraw/zinc/16/29/12/1091162912.db2.gz FSMVHZYGHNLXAZ-ZJSXRUAMSA-N 3 2 365.565 4.151 20 0 FIADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000390519711 1091162917 /nfs/dbraw/zinc/16/29/17/1091162917.db2.gz FSMVHZYGHNLXAZ-ZJSXRUAMSA-N 3 2 365.565 4.151 20 0 FIADLP Cc1oc2ccccc2c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390548317 1091229341 /nfs/dbraw/zinc/22/93/41/1091229341.db2.gz JHRVJSVHFFYTMW-HXUWFJFHSA-N 2 2 364.489 4.122 20 0 FIADLP Cc1oc2ccccc2c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390548317 1091229345 /nfs/dbraw/zinc/22/93/45/1091229345.db2.gz JHRVJSVHFFYTMW-HXUWFJFHSA-N 2 2 364.489 4.122 20 0 FIADLP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000390644743 1091356070 /nfs/dbraw/zinc/35/60/70/1091356070.db2.gz LXEQBFPGBBVQDS-JOCHJYFZSA-N 2 2 368.521 4.094 20 0 FIADLP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000390644743 1091356080 /nfs/dbraw/zinc/35/60/80/1091356080.db2.gz LXEQBFPGBBVQDS-JOCHJYFZSA-N 2 2 368.521 4.094 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCc3nsc4ccccc43)C2)n2c1CCCC2 ZINC000660478394 1091598673 /nfs/dbraw/zinc/59/86/73/1091598673.db2.gz BGTRUXVEESNZLF-MRXNPFEDSA-N 2 2 366.534 4.251 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@H+](CCc3nsc4ccccc43)C2)n2c1CCCC2 ZINC000660478394 1091598683 /nfs/dbraw/zinc/59/86/83/1091598683.db2.gz BGTRUXVEESNZLF-MRXNPFEDSA-N 2 2 366.534 4.251 20 0 FIADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000320064562 1091839032 /nfs/dbraw/zinc/83/90/32/1091839032.db2.gz VESIHTNXJVSTPC-HNNXBMFYSA-N 2 2 370.294 4.356 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000512192292 1091852344 /nfs/dbraw/zinc/85/23/44/1091852344.db2.gz CVWFFFOOSLVLSR-FPOVZHCZSA-N 2 2 366.553 4.267 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000512192292 1091852352 /nfs/dbraw/zinc/85/23/52/1091852352.db2.gz CVWFFFOOSLVLSR-FPOVZHCZSA-N 2 2 366.553 4.267 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512192292 1091852357 /nfs/dbraw/zinc/85/23/57/1091852357.db2.gz CVWFFFOOSLVLSR-FPOVZHCZSA-N 2 2 366.553 4.267 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512192292 1091852361 /nfs/dbraw/zinc/85/23/61/1091852361.db2.gz CVWFFFOOSLVLSR-FPOVZHCZSA-N 2 2 366.553 4.267 20 0 FIADLP Cc1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccn2)cc1 ZINC000279615445 1091941159 /nfs/dbraw/zinc/94/11/59/1091941159.db2.gz GESGJJLDOQEFBP-QHCPKHFHSA-N 2 2 358.489 4.133 20 0 FIADLP CC[C@@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000512369360 1092172901 /nfs/dbraw/zinc/17/29/01/1092172901.db2.gz BBKUMESXYLRKNK-FQEVSTJZSA-N 2 2 351.538 4.214 20 0 FIADLP CC[C@@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000512369360 1092172907 /nfs/dbraw/zinc/17/29/07/1092172907.db2.gz BBKUMESXYLRKNK-FQEVSTJZSA-N 2 2 351.538 4.214 20 0 FIADLP CC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cc2Br)C(C)C)CC1 ZINC000520899300 1092354098 /nfs/dbraw/zinc/35/40/98/1092354098.db2.gz VBLFEMHPNRGESI-GOSISDBHSA-N 2 2 369.347 4.229 20 0 FIADLP CC(C)[C@H](C[NH2+]Cc1cccc2cccnc21)[N@@H+]1CCc2ccccc2C1 ZINC000520950655 1092375477 /nfs/dbraw/zinc/37/54/77/1092375477.db2.gz ARDRFTYWPJCAIK-QHCPKHFHSA-N 2 2 359.517 4.407 20 0 FIADLP CC(C)[C@H](C[NH2+]Cc1cccc2cccnc21)[N@H+]1CCc2ccccc2C1 ZINC000520950655 1092375490 /nfs/dbraw/zinc/37/54/90/1092375490.db2.gz ARDRFTYWPJCAIK-QHCPKHFHSA-N 2 2 359.517 4.407 20 0 FIADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)C1 ZINC000236810180 1092426552 /nfs/dbraw/zinc/42/65/52/1092426552.db2.gz LGLIVYODYQEYIB-LJQANCHMSA-N 2 2 374.960 4.023 20 0 FIADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)C1 ZINC000236810180 1092426561 /nfs/dbraw/zinc/42/65/61/1092426561.db2.gz LGLIVYODYQEYIB-LJQANCHMSA-N 2 2 374.960 4.023 20 0 FIADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)N(C)C ZINC000443002931 1092909754 /nfs/dbraw/zinc/90/97/54/1092909754.db2.gz UFDQOUPSAJYEOC-OXJNMPFZSA-N 2 2 354.523 4.023 20 0 FIADLP COc1cc(F)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168017617 1093155103 /nfs/dbraw/zinc/15/51/03/1093155103.db2.gz BIMWQAHALBRKIX-UPHUGPLXSA-N 2 2 356.485 4.366 20 0 FIADLP COc1cc(F)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168017617 1093155110 /nfs/dbraw/zinc/15/51/10/1093155110.db2.gz BIMWQAHALBRKIX-UPHUGPLXSA-N 2 2 356.485 4.366 20 0 FIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)C1CC1 ZINC000474055653 1093160050 /nfs/dbraw/zinc/16/00/50/1093160050.db2.gz IWPQXTXVUNBYOH-MYDTUXCISA-N 2 2 356.554 4.082 20 0 FIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)C1CC1 ZINC000474055653 1093160058 /nfs/dbraw/zinc/16/00/58/1093160058.db2.gz IWPQXTXVUNBYOH-MYDTUXCISA-N 2 2 356.554 4.082 20 0 FIADLP COc1cc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)ccc1OC(F)F ZINC000152228663 1093201053 /nfs/dbraw/zinc/20/10/53/1093201053.db2.gz DCGUHAVBCYCKNP-AWEZNQCLSA-N 2 2 373.403 4.333 20 0 FIADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(OC)c(OC)c1 ZINC000152235162 1093208776 /nfs/dbraw/zinc/20/87/76/1093208776.db2.gz YRITYIJYRIIOJZ-SFHVURJKSA-N 2 2 351.450 4.130 20 0 FIADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@@H]3C(C)=CCC[C@H]3C)CCCC2)no1 ZINC000443639437 1093364424 /nfs/dbraw/zinc/36/44/24/1093364424.db2.gz GPOLBGNQUVWFAJ-QZTJIDSGSA-N 2 2 360.546 4.263 20 0 FIADLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c(Cl)c1 ZINC000512826637 1093404320 /nfs/dbraw/zinc/40/43/20/1093404320.db2.gz HXOAMAYWCVNSSG-UHFFFAOYSA-N 2 2 358.913 4.411 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2nn(C)c3ccccc23)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168025208 1093427080 /nfs/dbraw/zinc/42/70/80/1093427080.db2.gz IZGOLFPLACCTGC-OPVJXMOQSA-N 2 2 362.521 4.105 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2nn(C)c3ccccc23)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168025208 1093427087 /nfs/dbraw/zinc/42/70/87/1093427087.db2.gz IZGOLFPLACCTGC-OPVJXMOQSA-N 2 2 362.521 4.105 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(CC3CC3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168032592 1093667020 /nfs/dbraw/zinc/66/70/20/1093667020.db2.gz IEZNBJONXZAFSD-HATOLVCRSA-N 3 2 355.570 4.021 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(CC3CC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032592 1093667024 /nfs/dbraw/zinc/66/70/24/1093667024.db2.gz IEZNBJONXZAFSD-HATOLVCRSA-N 3 2 355.570 4.021 20 0 FIADLP CC1(C)OCc2cc(C[NH2+][C@H](Cn3cc[nH+]c3)c3ccccc3)ccc2O1 ZINC000895705627 1093676761 /nfs/dbraw/zinc/67/67/61/1093676761.db2.gz DGXNTHNKBFCLHT-HXUWFJFHSA-N 2 2 363.461 4.059 20 0 FIADLP O=C(CCCC[NH+]1CCCC1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000729320064 1093962355 /nfs/dbraw/zinc/96/23/55/1093962355.db2.gz UHNXYAKIZWDSKQ-UHFFFAOYSA-N 2 2 366.509 4.091 20 0 FIADLP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000513414314 1094113581 /nfs/dbraw/zinc/11/35/81/1094113581.db2.gz CYILOWLFTVJRES-QGZVFWFLSA-N 2 2 358.555 4.226 20 0 FIADLP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000513414314 1094113583 /nfs/dbraw/zinc/11/35/83/1094113583.db2.gz CYILOWLFTVJRES-QGZVFWFLSA-N 2 2 358.555 4.226 20 0 FIADLP C[N@H+](Cc1ccc(OC(F)F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513479295 1094155622 /nfs/dbraw/zinc/15/56/22/1094155622.db2.gz KHGSKWZUZUSXAJ-UHFFFAOYSA-N 2 2 360.448 4.384 20 0 FIADLP C[N@@H+](Cc1ccc(OC(F)F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513479295 1094155631 /nfs/dbraw/zinc/15/56/31/1094155631.db2.gz KHGSKWZUZUSXAJ-UHFFFAOYSA-N 2 2 360.448 4.384 20 0 FIADLP Cc1[nH+]cc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)n1-c1ccccc1 ZINC000513486570 1094166043 /nfs/dbraw/zinc/16/60/43/1094166043.db2.gz ZRYJYXOBDGYYHM-UHFFFAOYSA-N 2 2 374.532 4.277 20 0 FIADLP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000513488019 1094166776 /nfs/dbraw/zinc/16/67/76/1094166776.db2.gz NQCMKJQQMVBESW-REWPJTCUSA-N 3 2 374.532 4.263 20 0 FIADLP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[N@H+]1Cc1ccccc1 ZINC000513488019 1094166780 /nfs/dbraw/zinc/16/67/80/1094166780.db2.gz NQCMKJQQMVBESW-REWPJTCUSA-N 3 2 374.532 4.263 20 0 FIADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000474789068 1094624166 /nfs/dbraw/zinc/62/41/66/1094624166.db2.gz BYAGKAVFIWQSHP-KRWDZBQOSA-N 2 2 368.525 4.119 20 0 FIADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000474789068 1094624172 /nfs/dbraw/zinc/62/41/72/1094624172.db2.gz BYAGKAVFIWQSHP-KRWDZBQOSA-N 2 2 368.525 4.119 20 0 FIADLP Fc1cc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)ccc1-n1cc[nH+]c1 ZINC000501438745 1094712632 /nfs/dbraw/zinc/71/26/32/1094712632.db2.gz VDFPOOKULDVONV-PKOBYXMFSA-N 2 2 350.441 4.222 20 0 FIADLP Fc1cc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)ccc1-n1cc[nH+]c1 ZINC000501438743 1094713423 /nfs/dbraw/zinc/71/34/23/1094713423.db2.gz VDFPOOKULDVONV-IEBWSBKVSA-N 2 2 350.441 4.222 20 0 FIADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000501464290 1094720754 /nfs/dbraw/zinc/72/07/54/1094720754.db2.gz ZANGSOQOOCBDDP-IDKBZEPQSA-N 2 2 358.473 4.136 20 0 FIADLP CC[N@H+](Cc1nc(-c2c(F)cccc2F)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000420309581 1094873168 /nfs/dbraw/zinc/87/31/68/1094873168.db2.gz LRJYYXSQCFSNFO-CYBMUJFWSA-N 2 2 351.466 4.052 20 0 FIADLP CC[N@@H+](Cc1nc(-c2c(F)cccc2F)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000420309581 1094873185 /nfs/dbraw/zinc/87/31/85/1094873185.db2.gz LRJYYXSQCFSNFO-CYBMUJFWSA-N 2 2 351.466 4.052 20 0 FIADLP CC(C)([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000420935553 1095174858 /nfs/dbraw/zinc/17/48/58/1095174858.db2.gz MAYZOJGUUSOUNR-UHFFFAOYSA-N 2 2 358.913 4.197 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCSCc3ccccc3)C2)n2c1CCCC2 ZINC000502317453 1095340876 /nfs/dbraw/zinc/34/08/76/1095340876.db2.gz NGZVIANRDPXFRP-LJQANCHMSA-N 2 2 355.551 4.332 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@H+](CCSCc3ccccc3)C2)n2c1CCCC2 ZINC000502317453 1095340893 /nfs/dbraw/zinc/34/08/93/1095340893.db2.gz NGZVIANRDPXFRP-LJQANCHMSA-N 2 2 355.551 4.332 20 0 FIADLP COc1c(C)cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000502320392 1095345548 /nfs/dbraw/zinc/34/55/48/1095345548.db2.gz MHLYLOSDBKECJD-IBGZPJMESA-N 2 2 353.510 4.224 20 0 FIADLP COc1c(C)cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000502320392 1095345571 /nfs/dbraw/zinc/34/55/71/1095345571.db2.gz MHLYLOSDBKECJD-IBGZPJMESA-N 2 2 353.510 4.224 20 0 FIADLP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502315136 1095364773 /nfs/dbraw/zinc/36/47/73/1095364773.db2.gz HCQZVZWBXKFLJM-CQSZACIVSA-N 2 2 364.415 4.013 20 0 FIADLP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502315136 1095364794 /nfs/dbraw/zinc/36/47/94/1095364794.db2.gz HCQZVZWBXKFLJM-CQSZACIVSA-N 2 2 364.415 4.013 20 0 FIADLP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c2O1 ZINC000502315539 1095367690 /nfs/dbraw/zinc/36/76/90/1095367690.db2.gz BGHHJISZHHJQDC-LJQANCHMSA-N 2 2 365.521 4.313 20 0 FIADLP CC1(C)Cc2cccc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c2O1 ZINC000502315539 1095367710 /nfs/dbraw/zinc/36/77/10/1095367710.db2.gz BGHHJISZHHJQDC-LJQANCHMSA-N 2 2 365.521 4.313 20 0 FIADLP CC(C)CCn1cccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502336008 1095372585 /nfs/dbraw/zinc/37/25/85/1095372585.db2.gz VGXNWKLVXXRCOR-IBGZPJMESA-N 2 2 354.542 4.447 20 0 FIADLP CC(C)CCn1cccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502336008 1095372606 /nfs/dbraw/zinc/37/26/06/1095372606.db2.gz VGXNWKLVXXRCOR-IBGZPJMESA-N 2 2 354.542 4.447 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C3CC4(C3)CCCCC4)CC2)cc1 ZINC000421377142 1095576677 /nfs/dbraw/zinc/57/66/77/1095576677.db2.gz FSSOCEKMTZSWFE-UHFFFAOYSA-N 2 2 369.553 4.312 20 0 FIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000443993094 1095581422 /nfs/dbraw/zinc/58/14/22/1095581422.db2.gz IYJWGISEOHLEQH-CYBMUJFWSA-N 2 2 369.456 4.477 20 0 FIADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccccc2Cl)CC1 ZINC000237236425 1095721532 /nfs/dbraw/zinc/72/15/32/1095721532.db2.gz QOHQMDBOMDLTAR-UHFFFAOYSA-N 2 2 364.320 4.035 20 0 FIADLP COc1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C(C)C)c(F)c1 ZINC000421822179 1095934061 /nfs/dbraw/zinc/93/40/61/1095934061.db2.gz WERXGEOAEUMSIR-NRFANRHFSA-N 2 2 357.473 4.185 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)on3)C2)n2c1CCCC2 ZINC000503282091 1096343184 /nfs/dbraw/zinc/34/31/84/1096343184.db2.gz IWJITGRLWKGHGP-SFHVURJKSA-N 2 2 362.477 4.254 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)on3)C2)n2c1CCCC2 ZINC000503282091 1096343191 /nfs/dbraw/zinc/34/31/91/1096343191.db2.gz IWJITGRLWKGHGP-SFHVURJKSA-N 2 2 362.477 4.254 20 0 FIADLP Cc1ccccc1OCCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378985 1096380350 /nfs/dbraw/zinc/38/03/50/1096380350.db2.gz UGWWXXVWNBWHJT-IBGZPJMESA-N 2 2 353.510 4.176 20 0 FIADLP Cc1ccccc1OCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378985 1096380357 /nfs/dbraw/zinc/38/03/57/1096380357.db2.gz UGWWXXVWNBWHJT-IBGZPJMESA-N 2 2 353.510 4.176 20 0 FIADLP CCCOc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(OC(F)F)c1 ZINC000422891183 1096515495 /nfs/dbraw/zinc/51/54/95/1096515495.db2.gz UQBDZJVTUREDAG-MSOLQXFVSA-N 2 2 362.420 4.311 20 0 FIADLP CN(C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000423057466 1096559468 /nfs/dbraw/zinc/55/94/68/1096559468.db2.gz ZVGBGKKAMFBRFC-GUDVDZBRSA-N 2 2 363.427 4.043 20 0 FIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)c2ccccc21 ZINC000423117131 1096577856 /nfs/dbraw/zinc/57/78/56/1096577856.db2.gz TXAIBLDKVCXSEN-ZACQAIPSSA-N 2 2 359.267 4.007 20 0 FIADLP CSc1cccc([C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c2ccc(F)c(F)c2)c1 ZINC000423405903 1096673258 /nfs/dbraw/zinc/67/32/58/1096673258.db2.gz UHSRGWKSHRPPAC-SVIJTADQSA-N 2 2 362.489 4.364 20 0 FIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000423505152 1096701241 /nfs/dbraw/zinc/70/12/41/1096701241.db2.gz NWHDBNVJLKPFNX-YLJYHZDGSA-N 2 2 353.466 4.083 20 0 FIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000423508984 1096702521 /nfs/dbraw/zinc/70/25/21/1096702521.db2.gz RIOUOFFWHBRQNU-LIRRHRJNSA-N 2 2 366.534 4.427 20 0 FIADLP C[C@H]([NH3+])c1ccc(NC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000414757962 1096756894 /nfs/dbraw/zinc/75/68/94/1096756894.db2.gz XRRRQLMJIVVDMS-KBPBESRZSA-N 2 2 373.526 4.039 20 0 FIADLP C[C@H]([NH3+])c1ccc(NC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000414757962 1096756901 /nfs/dbraw/zinc/75/69/01/1096756901.db2.gz XRRRQLMJIVVDMS-KBPBESRZSA-N 2 2 373.526 4.039 20 0 FIADLP C[C@@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[NH+]1CCCCCC1 ZINC000436179528 1098803822 /nfs/dbraw/zinc/80/38/22/1098803822.db2.gz KLNTVCHIZLXCQW-KRWDZBQOSA-N 2 2 366.509 4.089 20 0 FIADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(-c4ccccc4)o3)[nH+]c2)C1 ZINC000533315714 1098965920 /nfs/dbraw/zinc/96/59/20/1098965920.db2.gz SPIAEHKOAHYLPT-IBGZPJMESA-N 2 2 362.477 4.094 20 0 FIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000437132514 1099628469 /nfs/dbraw/zinc/62/84/69/1099628469.db2.gz IPZHHBXXAVOBGE-FQEVSTJZSA-N 2 2 352.526 4.013 20 0 FIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000437132514 1099628472 /nfs/dbraw/zinc/62/84/72/1099628472.db2.gz IPZHHBXXAVOBGE-FQEVSTJZSA-N 2 2 352.526 4.013 20 0 FIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000437132514 1099628477 /nfs/dbraw/zinc/62/84/77/1099628477.db2.gz IPZHHBXXAVOBGE-FQEVSTJZSA-N 2 2 352.526 4.013 20 0 FIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000437132514 1099628481 /nfs/dbraw/zinc/62/84/81/1099628481.db2.gz IPZHHBXXAVOBGE-FQEVSTJZSA-N 2 2 352.526 4.013 20 0 FIADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000437137962 1099635566 /nfs/dbraw/zinc/63/55/66/1099635566.db2.gz VHSHGQKJDGYGBY-NRFANRHFSA-N 2 2 364.537 4.013 20 0 FIADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000437137962 1099635572 /nfs/dbraw/zinc/63/55/72/1099635572.db2.gz VHSHGQKJDGYGBY-NRFANRHFSA-N 2 2 364.537 4.013 20 0 FIADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000437137962 1099635576 /nfs/dbraw/zinc/63/55/76/1099635576.db2.gz VHSHGQKJDGYGBY-NRFANRHFSA-N 2 2 364.537 4.013 20 0 FIADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000437137962 1099635582 /nfs/dbraw/zinc/63/55/82/1099635582.db2.gz VHSHGQKJDGYGBY-NRFANRHFSA-N 2 2 364.537 4.013 20 0 FIADLP CC[N@H+](CCCCCF)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000516751929 1099769976 /nfs/dbraw/zinc/76/99/76/1099769976.db2.gz APHRXWOMBJQVLY-UHFFFAOYSA-N 2 2 350.526 4.339 20 0 FIADLP CC[N@@H+](CCCCCF)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000516751929 1099769985 /nfs/dbraw/zinc/76/99/85/1099769985.db2.gz APHRXWOMBJQVLY-UHFFFAOYSA-N 2 2 350.526 4.339 20 0 FIADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866864 1099896724 /nfs/dbraw/zinc/89/67/24/1099896724.db2.gz UZUMPINZNKEABM-XZOQPEGZSA-N 3 2 369.597 4.141 20 0 FIADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866864 1099896733 /nfs/dbraw/zinc/89/67/33/1099896733.db2.gz UZUMPINZNKEABM-XZOQPEGZSA-N 3 2 369.597 4.141 20 0 FIADLP CC(C)C[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866864 1099896743 /nfs/dbraw/zinc/89/67/43/1099896743.db2.gz UZUMPINZNKEABM-XZOQPEGZSA-N 3 2 369.597 4.141 20 0 FIADLP CC(C)C[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866864 1099896752 /nfs/dbraw/zinc/89/67/52/1099896752.db2.gz UZUMPINZNKEABM-XZOQPEGZSA-N 3 2 369.597 4.141 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000162709710 1099963946 /nfs/dbraw/zinc/96/39/46/1099963946.db2.gz YKEVLPFYVWOUTL-OFNKIYASSA-N 2 2 373.585 4.401 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000162709710 1099963949 /nfs/dbraw/zinc/96/39/49/1099963949.db2.gz YKEVLPFYVWOUTL-OFNKIYASSA-N 2 2 373.585 4.401 20 0 FIADLP C[C@@H](CC[NH2+]Cc1ccc(Br)o1)[N@H+](C)Cc1ccccc1 ZINC000379619937 1100217527 /nfs/dbraw/zinc/21/75/27/1100217527.db2.gz CDUAIVFXYQSBEZ-AWEZNQCLSA-N 2 2 351.288 4.042 20 0 FIADLP C[C@@H](CC[NH2+]Cc1ccc(Br)o1)[N@@H+](C)Cc1ccccc1 ZINC000379619937 1100217535 /nfs/dbraw/zinc/21/75/35/1100217535.db2.gz CDUAIVFXYQSBEZ-AWEZNQCLSA-N 2 2 351.288 4.042 20 0 FIADLP CCOc1cc(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)ccc1O ZINC000459548518 1100294992 /nfs/dbraw/zinc/29/49/92/1100294992.db2.gz AUAKNLXUXMHDDZ-KNQAVFIVSA-N 2 2 363.461 4.006 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H](C)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000437982453 1100346993 /nfs/dbraw/zinc/34/69/93/1100346993.db2.gz ZGCPFGOYZLHZQO-LQBOVUBWSA-N 2 2 372.532 4.068 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H](C)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000437982453 1100347003 /nfs/dbraw/zinc/34/70/03/1100347003.db2.gz ZGCPFGOYZLHZQO-LQBOVUBWSA-N 2 2 372.532 4.068 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H](C)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000437982453 1100347011 /nfs/dbraw/zinc/34/70/11/1100347011.db2.gz ZGCPFGOYZLHZQO-LQBOVUBWSA-N 2 2 372.532 4.068 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H](C)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000437982453 1100347017 /nfs/dbraw/zinc/34/70/17/1100347017.db2.gz ZGCPFGOYZLHZQO-LQBOVUBWSA-N 2 2 372.532 4.068 20 0 FIADLP COc1ccc(CC[C@@H](C)[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)cc1O ZINC000414938967 1100839385 /nfs/dbraw/zinc/83/93/85/1100839385.db2.gz IWPXLVGBMRVEAW-IIBYNOLFSA-N 2 2 364.489 4.165 20 0 FIADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000518272654 1101056012 /nfs/dbraw/zinc/05/60/12/1101056012.db2.gz NCTPBQHFLDGZGU-QFIPXVFZSA-N 2 2 360.505 4.113 20 0 FIADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000518272654 1101056019 /nfs/dbraw/zinc/05/60/19/1101056019.db2.gz NCTPBQHFLDGZGU-QFIPXVFZSA-N 2 2 360.505 4.113 20 0 FIADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3c(F)cccc3Cl)CC2)cc1 ZINC000237141367 1101143522 /nfs/dbraw/zinc/14/35/22/1101143522.db2.gz IKIMCIPVRVOBIL-UHFFFAOYSA-N 2 2 361.892 4.304 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c2nccn21 ZINC000295836001 1101212297 /nfs/dbraw/zinc/21/22/97/1101212297.db2.gz FHNMMLIUJOWMRL-TWFHAPMSSA-N 2 2 352.526 4.157 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c2nccn21 ZINC000295836001 1101212306 /nfs/dbraw/zinc/21/23/06/1101212306.db2.gz FHNMMLIUJOWMRL-TWFHAPMSSA-N 2 2 352.526 4.157 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000426311652 1101244822 /nfs/dbraw/zinc/24/48/22/1101244822.db2.gz RAGXJYKMEYDWCB-AVYPCKFXSA-N 2 2 353.491 4.287 20 0 FIADLP Fc1ccc(C(F)(F)F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167963914 1101246937 /nfs/dbraw/zinc/24/69/37/1101246937.db2.gz IBARZODBWKTBPV-ALOPSCKCSA-N 2 2 356.407 4.340 20 0 FIADLP Fc1ccc(C(F)(F)F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963914 1101246944 /nfs/dbraw/zinc/24/69/44/1101246944.db2.gz IBARZODBWKTBPV-ALOPSCKCSA-N 2 2 356.407 4.340 20 0 FIADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000439275623 1101299186 /nfs/dbraw/zinc/29/91/86/1101299186.db2.gz LQRDXVWFQFCOKS-INIZCTEOSA-N 2 2 351.332 4.113 20 0 FIADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000439275623 1101299195 /nfs/dbraw/zinc/29/91/95/1101299195.db2.gz LQRDXVWFQFCOKS-INIZCTEOSA-N 2 2 351.332 4.113 20 0 FIADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc1O ZINC000426398298 1101496470 /nfs/dbraw/zinc/49/64/70/1101496470.db2.gz XASFUYQYTSZVIR-WIYYLYMNSA-N 2 2 368.521 4.149 20 0 FIADLP COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000426504856 1101796798 /nfs/dbraw/zinc/79/67/98/1101796798.db2.gz QAYJSFACUNFYRV-SFHVURJKSA-N 2 2 361.898 4.407 20 0 FIADLP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000426504856 1101796825 /nfs/dbraw/zinc/79/68/25/1101796825.db2.gz QAYJSFACUNFYRV-SFHVURJKSA-N 2 2 361.898 4.407 20 0 FIADLP CC[NH+]1CCC([N@H+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000506691216 1101814328 /nfs/dbraw/zinc/81/43/28/1101814328.db2.gz VINITIFLPJDSAP-UHFFFAOYSA-N 2 2 355.309 4.185 20 0 FIADLP CC[NH+]1CCC([N@@H+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000506691216 1101814342 /nfs/dbraw/zinc/81/43/42/1101814342.db2.gz VINITIFLPJDSAP-UHFFFAOYSA-N 2 2 355.309 4.185 20 0 FIADLP COCCC1(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)CCCCC1 ZINC000189352111 1101869281 /nfs/dbraw/zinc/86/92/81/1101869281.db2.gz UAZXKOLDDYTWCX-IBGZPJMESA-N 2 2 359.558 4.184 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000398045940 1101962860 /nfs/dbraw/zinc/96/28/60/1101962860.db2.gz VRGBJGLGWVERFD-WMZOPIPTSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000398045940 1101962868 /nfs/dbraw/zinc/96/28/68/1101962868.db2.gz VRGBJGLGWVERFD-WMZOPIPTSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1nc2ccccc2n1C ZINC000398042694 1101963198 /nfs/dbraw/zinc/96/31/98/1101963198.db2.gz UATSDWFETRWXHR-CMKODMSKSA-N 2 2 362.521 4.135 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1nc2ccccc2n1C ZINC000398042694 1101963199 /nfs/dbraw/zinc/96/31/99/1101963199.db2.gz UATSDWFETRWXHR-CMKODMSKSA-N 2 2 362.521 4.135 20 0 FIADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@@H](C)Cc1ccc(Cl)cc1)CC2 ZINC001168181651 1102067277 /nfs/dbraw/zinc/06/72/77/1102067277.db2.gz GHLLHKRXMOLUJF-INIZCTEOSA-N 2 2 374.960 4.168 20 0 FIADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@@H](C)Cc1ccc(Cl)cc1)CC2 ZINC001168181651 1102067292 /nfs/dbraw/zinc/06/72/92/1102067292.db2.gz GHLLHKRXMOLUJF-INIZCTEOSA-N 2 2 374.960 4.168 20 0 FIADLP Fc1cc(C(F)(F)F)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167966325 1102114038 /nfs/dbraw/zinc/11/40/38/1102114038.db2.gz UCKAAPVNHAIEQF-ALOPSCKCSA-N 2 2 356.407 4.340 20 0 FIADLP Fc1cc(C(F)(F)F)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966325 1102114045 /nfs/dbraw/zinc/11/40/45/1102114045.db2.gz UCKAAPVNHAIEQF-ALOPSCKCSA-N 2 2 356.407 4.340 20 0 FIADLP c1c[nH+]c(C2CC[NH+](Cc3csc(CCc4ccccc4)n3)CC2)[nH]1 ZINC000440325457 1102197026 /nfs/dbraw/zinc/19/70/26/1102197026.db2.gz KPYUWBMZUANOMK-UHFFFAOYSA-N 2 2 352.507 4.031 20 0 FIADLP Clc1cccc2c1CC[C@@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000532458895 1102359423 /nfs/dbraw/zinc/35/94/23/1102359423.db2.gz YUPVLKUHQWRQRD-FQEVSTJZSA-N 2 2 351.881 4.404 20 0 FIADLP CC(C)OCc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000532461424 1102364737 /nfs/dbraw/zinc/36/47/37/1102364737.db2.gz WTQOCAUTRJFGPZ-XXBNENTESA-N 2 2 367.537 4.007 20 0 FIADLP CC(C)OCc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000532461424 1102364752 /nfs/dbraw/zinc/36/47/52/1102364752.db2.gz WTQOCAUTRJFGPZ-XXBNENTESA-N 2 2 367.537 4.007 20 0 FIADLP CC(=O)Nc1ccccc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000093318577 1102563893 /nfs/dbraw/zinc/56/38/93/1102563893.db2.gz VFTGRJXTRLOZMI-AVRDEDQJSA-N 2 2 365.521 4.130 20 0 FIADLP CC(=O)Nc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000093318577 1102563904 /nfs/dbraw/zinc/56/39/04/1102563904.db2.gz VFTGRJXTRLOZMI-AVRDEDQJSA-N 2 2 365.521 4.130 20 0 FIADLP CC(=O)Nc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000093318577 1102563916 /nfs/dbraw/zinc/56/39/16/1102563916.db2.gz VFTGRJXTRLOZMI-AVRDEDQJSA-N 2 2 365.521 4.130 20 0 FIADLP CC(=O)Nc1ccccc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000093318577 1102563928 /nfs/dbraw/zinc/56/39/28/1102563928.db2.gz VFTGRJXTRLOZMI-AVRDEDQJSA-N 2 2 365.521 4.130 20 0 FIADLP CC(=O)Nc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000093318574 1102564354 /nfs/dbraw/zinc/56/43/54/1102564354.db2.gz VFTGRJXTRLOZMI-PGRDOPGGSA-N 2 2 365.521 4.130 20 0 FIADLP CC(=O)Nc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000093318574 1102564359 /nfs/dbraw/zinc/56/43/59/1102564359.db2.gz VFTGRJXTRLOZMI-PGRDOPGGSA-N 2 2 365.521 4.130 20 0 FIADLP CC(=O)Nc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000093318574 1102564375 /nfs/dbraw/zinc/56/43/75/1102564375.db2.gz VFTGRJXTRLOZMI-PGRDOPGGSA-N 2 2 365.521 4.130 20 0 FIADLP CC(=O)Nc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000093318574 1102564383 /nfs/dbraw/zinc/56/43/83/1102564383.db2.gz VFTGRJXTRLOZMI-PGRDOPGGSA-N 2 2 365.521 4.130 20 0 FIADLP Cc1ccc(Br)c(F)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001648985482 1102576790 /nfs/dbraw/zinc/57/67/90/1102576790.db2.gz FNHNWDJXAMOHCA-UHFFFAOYSA-N 2 2 374.257 4.372 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)N(C)C)cc1 ZINC000551014270 1102790437 /nfs/dbraw/zinc/79/04/37/1102790437.db2.gz QVTVMSDUIKGDRF-ZRBLBEILSA-N 2 2 351.538 4.023 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)N(C)C)cc1 ZINC000551014270 1102790443 /nfs/dbraw/zinc/79/04/43/1102790443.db2.gz QVTVMSDUIKGDRF-ZRBLBEILSA-N 2 2 351.538 4.023 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000551030024 1102809326 /nfs/dbraw/zinc/80/93/26/1102809326.db2.gz CXYGSJIXYHEPKI-HXUWFJFHSA-N 2 2 364.961 4.140 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)c(F)c1 ZINC000536624779 1102931291 /nfs/dbraw/zinc/93/12/91/1102931291.db2.gz JWMLYEUMDDVULY-HNNXBMFYSA-N 2 2 362.876 4.162 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000551198901 1102971835 /nfs/dbraw/zinc/97/18/35/1102971835.db2.gz RJECODFFBYPPFT-PCCBWWKXSA-N 2 2 358.913 4.453 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000551198901 1102971836 /nfs/dbraw/zinc/97/18/36/1102971836.db2.gz RJECODFFBYPPFT-PCCBWWKXSA-N 2 2 358.913 4.453 20 0 FIADLP FC(F)(F)Oc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000537697501 1102980244 /nfs/dbraw/zinc/98/02/44/1102980244.db2.gz RTRVDCGJIMJCJF-RHSMWYFYSA-N 2 2 354.416 4.034 20 0 FIADLP FC(F)(F)Oc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000537697501 1102980249 /nfs/dbraw/zinc/98/02/49/1102980249.db2.gz RTRVDCGJIMJCJF-RHSMWYFYSA-N 2 2 354.416 4.034 20 0 FIADLP FC(F)(F)Oc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000537697501 1102980253 /nfs/dbraw/zinc/98/02/53/1102980253.db2.gz RTRVDCGJIMJCJF-RHSMWYFYSA-N 2 2 354.416 4.034 20 0 FIADLP FC(F)(F)Oc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000537697501 1102980258 /nfs/dbraw/zinc/98/02/58/1102980258.db2.gz RTRVDCGJIMJCJF-RHSMWYFYSA-N 2 2 354.416 4.034 20 0 FIADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000551267642 1103028923 /nfs/dbraw/zinc/02/89/23/1103028923.db2.gz HDAMXBRLHJHIRC-UHFFFAOYSA-N 3 2 366.553 4.307 20 0 FIADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000551267642 1103028937 /nfs/dbraw/zinc/02/89/37/1103028937.db2.gz HDAMXBRLHJHIRC-UHFFFAOYSA-N 3 2 366.553 4.307 20 0 FIADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000532778525 1103197486 /nfs/dbraw/zinc/19/74/86/1103197486.db2.gz JLNGUPNQBJWOIK-INIZCTEOSA-N 2 2 367.884 4.208 20 0 FIADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000532778525 1103197488 /nfs/dbraw/zinc/19/74/88/1103197488.db2.gz JLNGUPNQBJWOIK-INIZCTEOSA-N 2 2 367.884 4.208 20 0 FIADLP CC1=C(c2ccco2)C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000551447512 1103230360 /nfs/dbraw/zinc/23/03/60/1103230360.db2.gz MZQPKRSTDHBKAA-OAQYLSRUSA-N 2 2 366.505 4.050 20 0 FIADLP CC1=C(c2ccco2)C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000551447512 1103230375 /nfs/dbraw/zinc/23/03/75/1103230375.db2.gz MZQPKRSTDHBKAA-OAQYLSRUSA-N 2 2 366.505 4.050 20 0 FIADLP CC1=C(c2ccco2)C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551447512 1103230391 /nfs/dbraw/zinc/23/03/91/1103230391.db2.gz MZQPKRSTDHBKAA-OAQYLSRUSA-N 2 2 366.505 4.050 20 0 FIADLP CC1=C(c2ccco2)C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551447512 1103230400 /nfs/dbraw/zinc/23/04/00/1103230400.db2.gz MZQPKRSTDHBKAA-OAQYLSRUSA-N 2 2 366.505 4.050 20 0 FIADLP Clc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)s2)cc1 ZINC000551807304 1103661347 /nfs/dbraw/zinc/66/13/47/1103661347.db2.gz FGAVOSPNCPXXTN-HNNXBMFYSA-N 2 2 361.942 4.381 20 0 FIADLP Clc1ccc(-c2ncc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)s2)cc1 ZINC000551807304 1103661358 /nfs/dbraw/zinc/66/13/58/1103661358.db2.gz FGAVOSPNCPXXTN-HNNXBMFYSA-N 2 2 361.942 4.381 20 0 FIADLP c1cn(-c2ccccc2-c2noc([C@H]3[NH2+]CCC[C@H]3c3ccccc3)n2)c[nH+]1 ZINC001211870870 1105054534 /nfs/dbraw/zinc/05/45/34/1105054534.db2.gz XMEQRGYTBGHMDJ-PXNSSMCTSA-N 2 2 371.444 4.131 20 0 FIADLP CC[N@H+](C)[C@H](C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1)c1ccccc1 ZINC000729525857 1105194224 /nfs/dbraw/zinc/19/42/24/1105194224.db2.gz OFQKZVOOGGEUJG-FQEVSTJZSA-N 2 2 362.477 4.325 20 0 FIADLP CC[N@@H+](C)[C@H](C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1)c1ccccc1 ZINC000729525857 1105194226 /nfs/dbraw/zinc/19/42/26/1105194226.db2.gz OFQKZVOOGGEUJG-FQEVSTJZSA-N 2 2 362.477 4.325 20 0 FIADLP Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@@H]3CCn4cc[nH+]c4C3)cc2)c1 ZINC000427880026 1105300672 /nfs/dbraw/zinc/30/06/72/1105300672.db2.gz DQFNZVAGFIKRNI-WIYYLYMNSA-N 2 2 361.489 4.436 20 0 FIADLP Cc1ccccc1COc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427868318 1105303793 /nfs/dbraw/zinc/30/37/93/1105303793.db2.gz DIAFPLMZBZZBFC-WIYYLYMNSA-N 2 2 361.489 4.436 20 0 FIADLP COC(=O)c1ccccc1C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168010811 1105307104 /nfs/dbraw/zinc/30/71/04/1105307104.db2.gz LHBIJFDSVRWPMU-QZTJIDSGSA-N 2 2 366.505 4.004 20 0 FIADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)s1 ZINC000390614498 1106737613 /nfs/dbraw/zinc/73/76/13/1106737613.db2.gz XSLLDLRIDZTBCF-YLJYHZDGSA-N 2 2 358.551 4.307 20 0 FIADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)s1 ZINC000390614498 1106737622 /nfs/dbraw/zinc/73/76/22/1106737622.db2.gz XSLLDLRIDZTBCF-YLJYHZDGSA-N 2 2 358.551 4.307 20 0 FIADLP Fc1cccc2[nH]c(C[NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)cc21 ZINC000475355465 1106752095 /nfs/dbraw/zinc/75/20/95/1106752095.db2.gz VIXXYJSJTDQCOI-UHFFFAOYSA-N 2 2 369.406 4.202 20 0 FIADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H]3CC[NH2+]C34CCC4)s2)cc1 ZINC000530224162 1106914612 /nfs/dbraw/zinc/91/46/12/1106914612.db2.gz VACVVRHVHPYKBW-CXAGYDPISA-N 2 2 357.523 4.062 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CCCNc4ccccc43)C2)CC1 ZINC000530470968 1107057590 /nfs/dbraw/zinc/05/75/90/1107057590.db2.gz PGPGAAOPDGWYTE-RJYAGPCLSA-N 2 2 367.459 4.328 20 0 FIADLP FC(F)(F)c1ccc2c(N[C@H]3CCN(c4cccc[nH+]4)C3)cc[nH+]c2c1 ZINC000301766424 1107143752 /nfs/dbraw/zinc/14/37/52/1107143752.db2.gz HKZVICGEZVFXCQ-AWEZNQCLSA-N 2 2 358.367 4.339 20 0 FIADLP Cc1ccc2[nH+]ccc(NC[C@@H](c3cccs3)[NH+]3CCOCC3)c2c1 ZINC000302144869 1107317459 /nfs/dbraw/zinc/31/74/59/1107317459.db2.gz HCEKSBZMBQVKCT-IBGZPJMESA-N 2 2 353.491 4.090 20 0 FIADLP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000302210236 1107338439 /nfs/dbraw/zinc/33/84/39/1107338439.db2.gz YSEPMVTYPMWUDC-INIZCTEOSA-N 2 2 366.534 4.445 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Br)cn1 ZINC000475507657 1107585695 /nfs/dbraw/zinc/58/56/95/1107585695.db2.gz KWDWZLLODSLCRC-AWEZNQCLSA-N 2 2 366.347 4.292 20 0 FIADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475559433 1107731441 /nfs/dbraw/zinc/73/14/41/1107731441.db2.gz OJUCDWOYDMELKL-UHFFFAOYSA-N 2 2 350.506 4.469 20 0 FIADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000531758844 1108127898 /nfs/dbraw/zinc/12/78/98/1108127898.db2.gz RZNJRNAIJPWVQY-VQTJNVASSA-N 2 2 374.912 4.067 20 0 FIADLP CCn1ccnc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000453061134 1108138610 /nfs/dbraw/zinc/13/86/10/1108138610.db2.gz KZNIPLIJLOBAIF-OTWHNJEPSA-N 2 2 354.542 4.232 20 0 FIADLP CCn1ccnc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000453061134 1108138626 /nfs/dbraw/zinc/13/86/26/1108138626.db2.gz KZNIPLIJLOBAIF-OTWHNJEPSA-N 2 2 354.542 4.232 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Oc2ccccc2)cn1 ZINC000453091787 1108163568 /nfs/dbraw/zinc/16/35/68/1108163568.db2.gz SMMVIYLUUQXHNY-QGZVFWFLSA-N 2 2 362.477 4.300 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ncc(-c2ccccc2)n1C ZINC000453202693 1108273808 /nfs/dbraw/zinc/27/38/08/1108273808.db2.gz ZHKMHFJHZNCHOD-CMKODMSKSA-N 2 2 366.553 4.391 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ncc(-c2ccccc2)n1C ZINC000453202693 1108273820 /nfs/dbraw/zinc/27/38/20/1108273820.db2.gz ZHKMHFJHZNCHOD-CMKODMSKSA-N 2 2 366.553 4.391 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(-c2ccccc2)n1C ZINC000453213639 1108283260 /nfs/dbraw/zinc/28/32/60/1108283260.db2.gz IWKVHGZWPJTBGZ-FPOVZHCZSA-N 2 2 374.532 4.260 20 0 FIADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc(-c2ccccc2)n1C ZINC000453213639 1108283270 /nfs/dbraw/zinc/28/32/70/1108283270.db2.gz IWKVHGZWPJTBGZ-FPOVZHCZSA-N 2 2 374.532 4.260 20 0 FIADLP COc1ccc([C@H](C)[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)cc1OC ZINC000453227563 1108298828 /nfs/dbraw/zinc/29/88/28/1108298828.db2.gz FVCYMMCFFLNMJL-AWEZNQCLSA-N 2 2 371.868 4.394 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000453258144 1108331012 /nfs/dbraw/zinc/33/10/12/1108331012.db2.gz AFNGRPMWNFOJTE-CRAIPNDOSA-N 2 2 363.427 4.101 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000453258144 1108331027 /nfs/dbraw/zinc/33/10/27/1108331027.db2.gz AFNGRPMWNFOJTE-CRAIPNDOSA-N 2 2 363.427 4.101 20 0 FIADLP CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)C(C)(C)C ZINC000453328973 1108386898 /nfs/dbraw/zinc/38/68/98/1108386898.db2.gz QDDVKQZPZCNBKZ-OAQYLSRUSA-N 2 2 359.558 4.414 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3cc(C)oc3C)CC2)cc1 ZINC000453319585 1108407124 /nfs/dbraw/zinc/40/71/24/1108407124.db2.gz DHXYAXZCLXFTNM-MRXNPFEDSA-N 2 2 369.509 4.170 20 0 FIADLP CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453322566 1108412095 /nfs/dbraw/zinc/41/20/95/1108412095.db2.gz IRYZIXQCICIEJO-DENIHFKCSA-N 2 2 357.542 4.168 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3ccc(C)s3)CC2)cc1 ZINC000453324344 1108415676 /nfs/dbraw/zinc/41/56/76/1108415676.db2.gz KXWQQXJOIAUFIU-MRXNPFEDSA-N 2 2 371.550 4.330 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3C(C)C)CC2)cc1 ZINC000453333304 1108423836 /nfs/dbraw/zinc/42/38/36/1108423836.db2.gz VSHFXECJEOQHMP-XZOQPEGZSA-N 2 2 371.569 4.414 20 0 FIADLP COc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccc(F)cc2)cc1 ZINC000453355174 1108456827 /nfs/dbraw/zinc/45/68/27/1108456827.db2.gz OUIWQCJFRADBIK-GFSYIJCISA-N 2 2 354.469 4.139 20 0 FIADLP COc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccc(F)cc2)cc1 ZINC000453355174 1108456832 /nfs/dbraw/zinc/45/68/32/1108456832.db2.gz OUIWQCJFRADBIK-GFSYIJCISA-N 2 2 354.469 4.139 20 0 FIADLP CCCc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)o1 ZINC000453384787 1108469999 /nfs/dbraw/zinc/46/99/99/1108469999.db2.gz NBHZFUROZVOLDR-PWRODBHTSA-N 2 2 353.510 4.160 20 0 FIADLP CCCc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)o1 ZINC000453384787 1108470007 /nfs/dbraw/zinc/47/00/07/1108470007.db2.gz NBHZFUROZVOLDR-PWRODBHTSA-N 2 2 353.510 4.160 20 0 FIADLP Cc1ccc(-n2cc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)c(C(C)(C)C)n2)cc1 ZINC000532092582 1108651843 /nfs/dbraw/zinc/65/18/43/1108651843.db2.gz JPMDMXMVAJUUMO-GOSISDBHSA-N 2 2 365.525 4.101 20 0 FIADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CSc4ccccc43)CC2)cc1 ZINC000532223085 1108720145 /nfs/dbraw/zinc/72/01/45/1108720145.db2.gz QXYAAUODKZTWIH-FQEVSTJZSA-N 2 2 356.510 4.269 20 0 FIADLP Brc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000193158832 1109163299 /nfs/dbraw/zinc/16/32/99/1109163299.db2.gz JCMMRABOSHBQAE-SFHVURJKSA-N 2 2 372.310 4.090 20 0 FIADLP COc1cc2c(cc1C[NH2+][C@H](C)c1cccc(-n3cc[nH+]c3)c1)O[C@@H](C)C2 ZINC000525194833 1109303725 /nfs/dbraw/zinc/30/37/25/1109303725.db2.gz CJQPXYBYLFCEQK-JKSUJKDBSA-N 2 2 363.461 4.055 20 0 FIADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCn3cc(C)[nH+]c31)CCCS2 ZINC000446822981 1109350076 /nfs/dbraw/zinc/35/00/76/1109350076.db2.gz HLJWLQNAUVFOGM-CRAIPNDOSA-N 2 2 357.523 4.294 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000429706728 1109450705 /nfs/dbraw/zinc/45/07/05/1109450705.db2.gz HEYRQJCGSWYBST-UHFFFAOYSA-N 2 2 361.283 4.196 20 0 FIADLP CCCCCOc1cc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)ccc1OC ZINC000525696352 1109481052 /nfs/dbraw/zinc/48/10/52/1109481052.db2.gz IILBGPVXNKOYAJ-LJQANCHMSA-N 2 2 371.525 4.436 20 0 FIADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CO2 ZINC000447596566 1109591294 /nfs/dbraw/zinc/59/12/94/1109591294.db2.gz CSEOOJHMAMUUJE-RCLSDMTESA-N 2 2 352.453 4.044 20 0 FIADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CO2 ZINC000447596566 1109591297 /nfs/dbraw/zinc/59/12/97/1109591297.db2.gz CSEOOJHMAMUUJE-RCLSDMTESA-N 2 2 352.453 4.044 20 0 FIADLP Cc1ccc(-c2csc(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)n2)cc1 ZINC000509655396 1109605143 /nfs/dbraw/zinc/60/51/43/1109605143.db2.gz FQBPKLXBUCTDLR-UHFFFAOYSA-N 2 2 366.534 4.307 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448034531 1109701916 /nfs/dbraw/zinc/70/19/16/1109701916.db2.gz JIAGMCABNRREJS-XLIONFOSSA-N 2 2 359.558 4.237 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448034531 1109701920 /nfs/dbraw/zinc/70/19/20/1109701920.db2.gz JIAGMCABNRREJS-XLIONFOSSA-N 2 2 359.558 4.237 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)cn1 ZINC000527854296 1109839425 /nfs/dbraw/zinc/83/94/25/1109839425.db2.gz WUQRVTLFSYCURR-GOSISDBHSA-N 2 2 356.832 4.145 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449026523 1109959739 /nfs/dbraw/zinc/95/97/39/1109959739.db2.gz GBLVWGDPTSICDA-LJQANCHMSA-N 2 2 357.567 4.092 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449026523 1109959742 /nfs/dbraw/zinc/95/97/42/1109959742.db2.gz GBLVWGDPTSICDA-LJQANCHMSA-N 2 2 357.567 4.092 20 0 FIADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)c2cccc(F)c2)CC1 ZINC000449138974 1109983850 /nfs/dbraw/zinc/98/38/50/1109983850.db2.gz DYVRASMALFPOKM-IBGZPJMESA-N 2 2 350.522 4.128 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccnn2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000449180298 1109993111 /nfs/dbraw/zinc/99/31/11/1109993111.db2.gz ZOZFEDQLOTWIPA-AZUAARDMSA-N 2 2 352.526 4.141 20 0 FIADLP C[C@H]1C[C@H]([NH2+]Cc2ccnn2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000449180298 1109993112 /nfs/dbraw/zinc/99/31/12/1109993112.db2.gz ZOZFEDQLOTWIPA-AZUAARDMSA-N 2 2 352.526 4.141 20 0 FIADLP CCC[NH+]1CCC([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449223746 1110001687 /nfs/dbraw/zinc/00/16/87/1110001687.db2.gz YVRALWUDFYTFBW-UHFFFAOYSA-N 2 2 351.466 4.052 20 0 FIADLP COCC[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)c1ccc(C)o1 ZINC000449226697 1110002824 /nfs/dbraw/zinc/00/28/24/1110002824.db2.gz NLIXZXZXHGLDLQ-GCJKJVERSA-N 2 2 370.537 4.351 20 0 FIADLP c1cc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)n(C2CCCC2)n1 ZINC000449332284 1110029612 /nfs/dbraw/zinc/02/96/12/1110029612.db2.gz QTDCBVZAFYGMAN-FCHUYYIVSA-N 2 2 361.493 4.213 20 0 FIADLP CCOc1cc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)ccc1OC ZINC000449350623 1110038585 /nfs/dbraw/zinc/03/85/85/1110038585.db2.gz KDOXUFYGPIFGHE-UHFFFAOYSA-N 2 2 371.868 4.223 20 0 FIADLP Brc1ccc(/C=C\C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000449455716 1110075482 /nfs/dbraw/zinc/07/54/82/1110075482.db2.gz LPZMPECTZVEVLD-ARJAWSKDSA-N 2 2 372.310 4.116 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H](C)[C@@H]3C)CC2)cc1 ZINC000449524532 1110098905 /nfs/dbraw/zinc/09/89/05/1110098905.db2.gz OMAYOOWTXMCTJV-PNLZDCPESA-N 2 2 357.542 4.024 20 0 FIADLP Cc1cc(Br)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000449560295 1110111165 /nfs/dbraw/zinc/11/11/65/1110111165.db2.gz IZXHBKPUXAJLHQ-AGUYFDCRSA-N 2 2 357.723 4.126 20 0 FIADLP Cc1cc(Br)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000449560295 1110111167 /nfs/dbraw/zinc/11/11/67/1110111167.db2.gz IZXHBKPUXAJLHQ-AGUYFDCRSA-N 2 2 357.723 4.126 20 0 FIADLP CCCc1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000449613317 1110124022 /nfs/dbraw/zinc/12/40/22/1110124022.db2.gz ROICRQDFBIBIAR-CEWLAPEOSA-N 2 2 353.510 4.017 20 0 FIADLP CCCc1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000449613317 1110124024 /nfs/dbraw/zinc/12/40/24/1110124024.db2.gz ROICRQDFBIBIAR-CEWLAPEOSA-N 2 2 353.510 4.017 20 0 FIADLP Cc1ccc([C@@H]([NH3+])C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1 ZINC000262649196 1110238979 /nfs/dbraw/zinc/23/89/79/1110238979.db2.gz KXSWTBWEMSYXOQ-HXUWFJFHSA-N 2 2 362.477 4.002 20 0 FIADLP CC[NH+](CC)CC1CC[NH+](Cc2ncc(Cl)cc2Br)CC1 ZINC000529521620 1110283245 /nfs/dbraw/zinc/28/32/45/1110283245.db2.gz CUOLGZOUXVZKFI-UHFFFAOYSA-N 2 2 374.754 4.051 20 0 FIADLP c1ncc(C[NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)s1 ZINC000390552051 1110339313 /nfs/dbraw/zinc/33/93/13/1110339313.db2.gz YLLLYZDLVCKZME-UHFFFAOYSA-N 2 2 351.519 4.325 20 0 FIADLP CC(C)Cc1ncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000538730785 1111267462 /nfs/dbraw/zinc/26/74/62/1111267462.db2.gz ORVMGRRZHFMQGI-LJQANCHMSA-N 2 2 357.567 4.296 20 0 FIADLP CC(C)Cc1ncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000538730785 1111267467 /nfs/dbraw/zinc/26/74/67/1111267467.db2.gz ORVMGRRZHFMQGI-LJQANCHMSA-N 2 2 357.567 4.296 20 0 FIADLP CC(C)Cc1ncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000538730785 1111267472 /nfs/dbraw/zinc/26/74/72/1111267472.db2.gz ORVMGRRZHFMQGI-LJQANCHMSA-N 2 2 357.567 4.296 20 0 FIADLP CC(C)Cc1ncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000538730785 1111267476 /nfs/dbraw/zinc/26/74/76/1111267476.db2.gz ORVMGRRZHFMQGI-LJQANCHMSA-N 2 2 357.567 4.296 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2conc2Cc2ccccc2)CC1 ZINC000552024151 1111305281 /nfs/dbraw/zinc/30/52/81/1111305281.db2.gz CIQPPAHLODZJMS-UHFFFAOYSA-N 2 2 363.461 4.012 20 0 FIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cccc(OC)c1 ZINC000539051644 1111400291 /nfs/dbraw/zinc/40/02/91/1111400291.db2.gz AELFTVWOLOKFLO-VGOFRKELSA-N 2 2 353.510 4.357 20 0 FIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000539054782 1111402444 /nfs/dbraw/zinc/40/24/44/1111402444.db2.gz QICAQCLLICDCJM-ZMPRRUGASA-N 2 2 353.485 4.269 20 0 FIADLP COc1ccc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccc(F)cc2)cc1 ZINC000539310612 1111508065 /nfs/dbraw/zinc/50/80/65/1111508065.db2.gz FSAWKTHAZOIBND-QHCPKHFHSA-N 2 2 368.496 4.388 20 0 FIADLP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000552048423 1111557591 /nfs/dbraw/zinc/55/75/91/1111557591.db2.gz SBRRHLZCSPCYJX-JTDSTZFVSA-N 2 2 372.534 4.096 20 0 FIADLP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000552048423 1111557592 /nfs/dbraw/zinc/55/75/92/1111557592.db2.gz SBRRHLZCSPCYJX-JTDSTZFVSA-N 2 2 372.534 4.096 20 0 FIADLP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000552048422 1111557733 /nfs/dbraw/zinc/55/77/33/1111557733.db2.gz SBRRHLZCSPCYJX-GJYPPUQNSA-N 2 2 372.534 4.096 20 0 FIADLP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000552048422 1111557737 /nfs/dbraw/zinc/55/77/37/1111557737.db2.gz SBRRHLZCSPCYJX-GJYPPUQNSA-N 2 2 372.534 4.096 20 0 FIADLP C[N@@H+]1CC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@H]2CCC[C@@H]21 ZINC000552276686 1111656645 /nfs/dbraw/zinc/65/66/45/1111656645.db2.gz HBKQZYSUGHIQBA-HKBOAZHASA-N 2 2 350.510 4.171 20 0 FIADLP C[N@H+]1CC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@H]2CCC[C@@H]21 ZINC000552276686 1111656647 /nfs/dbraw/zinc/65/66/47/1111656647.db2.gz HBKQZYSUGHIQBA-HKBOAZHASA-N 2 2 350.510 4.171 20 0 FIADLP C[N@@H+]1CC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@@H]2CCC[C@H]21 ZINC000552276687 1111656805 /nfs/dbraw/zinc/65/68/05/1111656805.db2.gz HBKQZYSUGHIQBA-PCCBWWKXSA-N 2 2 350.510 4.171 20 0 FIADLP C[N@H+]1CC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@@H]2CCC[C@H]21 ZINC000552276687 1111656810 /nfs/dbraw/zinc/65/68/10/1111656810.db2.gz HBKQZYSUGHIQBA-PCCBWWKXSA-N 2 2 350.510 4.171 20 0 FIADLP COc1ccc(C[N@H+](CCCn2cc[nH+]c2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000553315317 1111947125 /nfs/dbraw/zinc/94/71/25/1111947125.db2.gz YXNYBTJGACIDQT-QUCCMNQESA-N 2 2 371.525 4.371 20 0 FIADLP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000553315317 1111947126 /nfs/dbraw/zinc/94/71/26/1111947126.db2.gz YXNYBTJGACIDQT-QUCCMNQESA-N 2 2 371.525 4.371 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(Br)cc1Cl)CCC2 ZINC000553509171 1111991712 /nfs/dbraw/zinc/99/17/12/1111991712.db2.gz OSSVRVGMYMTWJS-CYBMUJFWSA-N 2 2 368.706 4.275 20 0 FIADLP COc1cc2c(NCc3ccc(-n4cc[nH+]c4)c(F)c3)cc[nH+]c2cc1F ZINC000479401503 1112007281 /nfs/dbraw/zinc/00/72/81/1112007281.db2.gz XPSPRJNUUWYYGC-UHFFFAOYSA-N 2 2 366.371 4.319 20 0 FIADLP C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000479458263 1112030950 /nfs/dbraw/zinc/03/09/50/1112030950.db2.gz SIBYDUVKRYORNS-MZMPZRCHSA-N 2 2 374.326 4.264 20 0 FIADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC([NH+]3CCC(C(F)(F)F)CC3)C1)CC2 ZINC000479479068 1112038733 /nfs/dbraw/zinc/03/87/33/1112038733.db2.gz HYPWJRVISLKGSY-FAFZWHIHSA-N 2 2 352.444 4.377 20 0 FIADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479484463 1112040405 /nfs/dbraw/zinc/04/04/05/1112040405.db2.gz RDEUQMBQJQNJEQ-BAZKHKGQSA-N 2 2 352.444 4.315 20 0 FIADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479491367 1112044589 /nfs/dbraw/zinc/04/45/89/1112044589.db2.gz PYDCPJXRKNYDQI-LEOMRAHMSA-N 2 2 356.407 4.208 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000479537266 1112061688 /nfs/dbraw/zinc/06/16/88/1112061688.db2.gz GUWLQQVNUPXZTQ-DBXVSBKESA-N 2 2 369.940 4.481 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000479537266 1112061691 /nfs/dbraw/zinc/06/16/91/1112061691.db2.gz GUWLQQVNUPXZTQ-DBXVSBKESA-N 2 2 369.940 4.481 20 0 FIADLP Cc1ccc2cc(C[N@@H+](C)C3CC[NH+](CCc4ccccn4)CC3)[nH]c2c1 ZINC000667563717 1112162978 /nfs/dbraw/zinc/16/29/78/1112162978.db2.gz OFWFXGOOZJJHKL-UHFFFAOYSA-N 2 2 362.521 4.010 20 0 FIADLP Cc1ccc2cc(C[N@H+](C)C3CC[NH+](CCc4ccccn4)CC3)[nH]c2c1 ZINC000667563717 1112162982 /nfs/dbraw/zinc/16/29/82/1112162982.db2.gz OFWFXGOOZJJHKL-UHFFFAOYSA-N 2 2 362.521 4.010 20 0 FIADLP C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480071348 1112268729 /nfs/dbraw/zinc/26/87/29/1112268729.db2.gz ONNZRZLCCAZZEI-IIBYNOLFSA-N 2 2 368.912 4.479 20 0 FIADLP COc1cc([C@H](C)[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c(F)cn1 ZINC000554345273 1112307950 /nfs/dbraw/zinc/30/79/50/1112307950.db2.gz JKQZRUWZEDMHTC-ZACQAIPSSA-N 2 2 371.500 4.037 20 0 FIADLP C[C@H]([NH2+]Cc1ccsc1Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000480372387 1112408297 /nfs/dbraw/zinc/40/82/97/1112408297.db2.gz ZESDVTKUFBONQO-ZDUSSCGKSA-N 2 2 367.921 4.143 20 0 FIADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000554594103 1112412908 /nfs/dbraw/zinc/41/29/08/1112412908.db2.gz GXAKZSDEKANCNL-UHFFFAOYSA-N 2 2 360.461 4.315 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3ccccc3F)nc2)C[C@H]1C ZINC000480557403 1112477026 /nfs/dbraw/zinc/47/70/26/1112477026.db2.gz RYKUMGGRFPCYOU-YLJYHZDGSA-N 2 2 371.500 4.104 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3ccccc3F)nc2)C[C@H]1C ZINC000480557403 1112477029 /nfs/dbraw/zinc/47/70/29/1112477029.db2.gz RYKUMGGRFPCYOU-YLJYHZDGSA-N 2 2 371.500 4.104 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCc3ccccc3F)nc2)C[C@H]1C ZINC000480557403 1112477033 /nfs/dbraw/zinc/47/70/33/1112477033.db2.gz RYKUMGGRFPCYOU-YLJYHZDGSA-N 2 2 371.500 4.104 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3ccccc3F)nc2)C[C@H]1C ZINC000480557403 1112477036 /nfs/dbraw/zinc/47/70/36/1112477036.db2.gz RYKUMGGRFPCYOU-YLJYHZDGSA-N 2 2 371.500 4.104 20 0 FIADLP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480610035 1112500519 /nfs/dbraw/zinc/50/05/19/1112500519.db2.gz NFSXGSVCKLNXTF-HSALFYBXSA-N 3 2 354.542 4.281 20 0 FIADLP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480610035 1112500521 /nfs/dbraw/zinc/50/05/21/1112500521.db2.gz NFSXGSVCKLNXTF-HSALFYBXSA-N 3 2 354.542 4.281 20 0 FIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccsc3Cl)cc2)C[C@@H](C)O1 ZINC000480644121 1112519198 /nfs/dbraw/zinc/51/91/98/1112519198.db2.gz IJHCNHUCZRJTKR-HUUCEWRRSA-N 2 2 364.942 4.301 20 0 FIADLP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccsc2Cl)C[C@H](C)O1 ZINC000480667210 1112535509 /nfs/dbraw/zinc/53/55/09/1112535509.db2.gz QYRKVNKKZSQOPV-GJZGRUSLSA-N 2 2 364.942 4.301 20 0 FIADLP C[C@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480715182 1112567450 /nfs/dbraw/zinc/56/74/50/1112567450.db2.gz IJXXVRIZCPRYHX-AWEZNQCLSA-N 2 2 365.868 4.263 20 0 FIADLP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H](C)Cn2cc[nH+]c2)CCC3)cc1 ZINC000480747744 1112584264 /nfs/dbraw/zinc/58/42/64/1112584264.db2.gz FMDJVIFRNWMRDY-WBVHZDCISA-N 2 2 352.507 4.371 20 0 FIADLP FC(F)(F)c1cccnc1[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001168364314 1112590952 /nfs/dbraw/zinc/59/09/52/1112590952.db2.gz BFVONYHHFJZGQB-KRWDZBQOSA-N 2 2 353.432 4.016 20 0 FIADLP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)CCC3)cc1 ZINC000480770368 1112597578 /nfs/dbraw/zinc/59/75/78/1112597578.db2.gz RGFNHZIEEGXXQZ-YOEHRIQHSA-N 2 2 368.506 4.071 20 0 FIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC000480793470 1112602735 /nfs/dbraw/zinc/60/27/35/1112602735.db2.gz FCUYSSSRPVRDGV-UHFFFAOYSA-N 2 2 371.500 4.104 20 0 FIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC000480793470 1112602740 /nfs/dbraw/zinc/60/27/40/1112602740.db2.gz FCUYSSSRPVRDGV-UHFFFAOYSA-N 2 2 371.500 4.104 20 0 FIADLP CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccco1 ZINC000481956599 1113140823 /nfs/dbraw/zinc/14/08/23/1113140823.db2.gz DFBUDHJXZURAEP-YLJYHZDGSA-N 2 2 352.482 4.199 20 0 FIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000482460280 1113267998 /nfs/dbraw/zinc/26/79/98/1113267998.db2.gz XUCZGXHUQDVBNG-YADHBBJMSA-N 2 2 356.485 4.112 20 0 FIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000482460280 1113268001 /nfs/dbraw/zinc/26/80/01/1113268001.db2.gz XUCZGXHUQDVBNG-YADHBBJMSA-N 2 2 356.485 4.112 20 0 FIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)[C@@H]1c1cccs1 ZINC000194336752 1113271029 /nfs/dbraw/zinc/27/10/29/1113271029.db2.gz DNDWXLQZLKINLM-LAUBAEHRSA-N 2 2 366.534 4.311 20 0 FIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)[C@@H]1c1cccs1 ZINC000194336752 1113271033 /nfs/dbraw/zinc/27/10/33/1113271033.db2.gz DNDWXLQZLKINLM-LAUBAEHRSA-N 2 2 366.534 4.311 20 0 FIADLP C[C@H](CCc1ccccc1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000237508817 1113275704 /nfs/dbraw/zinc/27/57/04/1113275704.db2.gz QTSYSKXIIQKWJA-LJQANCHMSA-N 2 2 351.538 4.332 20 0 FIADLP OC(C[NH+]1CCC[C@@H]1c1cccs1)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000194384098 1113276760 /nfs/dbraw/zinc/27/67/60/1113276760.db2.gz MKIUZVPGVPIMOC-IAGOWNOFSA-N 2 2 362.564 4.145 20 0 FIADLP OC(C[NH+]1CCC[C@@H]1c1cccs1)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000194384098 1113276762 /nfs/dbraw/zinc/27/67/62/1113276762.db2.gz MKIUZVPGVPIMOC-IAGOWNOFSA-N 2 2 362.564 4.145 20 0 FIADLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccc(OC(F)F)cc1 ZINC000482645971 1113318795 /nfs/dbraw/zinc/31/87/95/1113318795.db2.gz JICBQBFBRCIKBI-SFHVURJKSA-N 2 2 370.484 4.218 20 0 FIADLP C[C@@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483158653 1113450464 /nfs/dbraw/zinc/45/04/64/1113450464.db2.gz QJIHMEBBKVGYRM-FOIQADDNSA-N 2 2 370.447 4.104 20 0 FIADLP C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483140758 1113452777 /nfs/dbraw/zinc/45/27/77/1113452777.db2.gz QVIVBPYHNZUNNH-YLJYHZDGSA-N 2 2 364.468 4.331 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c(Cl)s2)C[C@H]1C ZINC000483278893 1113478994 /nfs/dbraw/zinc/47/89/94/1113478994.db2.gz DSJGTYBDTSOFBL-GHMZBOCLSA-N 2 2 365.768 4.469 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c(Cl)s2)C[C@H]1C ZINC000483278893 1113478997 /nfs/dbraw/zinc/47/89/97/1113478997.db2.gz DSJGTYBDTSOFBL-GHMZBOCLSA-N 2 2 365.768 4.469 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)c(Cl)s2)C[C@H]1C ZINC000483278893 1113479000 /nfs/dbraw/zinc/47/90/00/1113479000.db2.gz DSJGTYBDTSOFBL-GHMZBOCLSA-N 2 2 365.768 4.469 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)c(Cl)s2)C[C@H]1C ZINC000483278893 1113479003 /nfs/dbraw/zinc/47/90/03/1113479003.db2.gz DSJGTYBDTSOFBL-GHMZBOCLSA-N 2 2 365.768 4.469 20 0 FIADLP Clc1ccc(C2=CC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)cc1 ZINC000668693819 1113658962 /nfs/dbraw/zinc/65/89/62/1113658962.db2.gz WEOAMXRWAKXCAT-TZIWHRDSSA-N 2 2 360.929 4.119 20 0 FIADLP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1)c1ccccc1Br ZINC000490171302 1114229242 /nfs/dbraw/zinc/22/92/42/1114229242.db2.gz BNDMMHKABHMKEA-LJQANCHMSA-N 2 2 370.294 4.333 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000151049264 1114283956 /nfs/dbraw/zinc/28/39/56/1114283956.db2.gz PHDQQCDZHYSFRB-SFHVURJKSA-N 2 2 374.488 4.240 20 0 FIADLP c1cn(Cc2ccccc2C[NH2+]Cc2cccc(-c3ccccn3)c2)c[nH+]1 ZINC000570886854 1114381819 /nfs/dbraw/zinc/38/18/19/1114381819.db2.gz MHMIWZKSCUBKRJ-UHFFFAOYSA-N 2 2 354.457 4.283 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(F)cccc1Br ZINC000571721080 1114499713 /nfs/dbraw/zinc/49/97/13/1114499713.db2.gz DFFHSFPNAWNLQB-UHFFFAOYSA-N 2 2 368.294 4.259 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(F)cccc1Br ZINC000571721080 1114499714 /nfs/dbraw/zinc/49/97/14/1114499714.db2.gz DFFHSFPNAWNLQB-UHFFFAOYSA-N 2 2 368.294 4.259 20 0 FIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1scnc1C1CC1 ZINC000509453533 1114526309 /nfs/dbraw/zinc/52/63/09/1114526309.db2.gz YYTHAOKKYSXMFW-IBGZPJMESA-N 2 2 355.551 4.411 20 0 FIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1scnc1C1CC1 ZINC000509453533 1114526314 /nfs/dbraw/zinc/52/63/14/1114526314.db2.gz YYTHAOKKYSXMFW-IBGZPJMESA-N 2 2 355.551 4.411 20 0 FIADLP C[C@H](C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)Cn1cc[nH+]c1 ZINC000590611939 1114952804 /nfs/dbraw/zinc/95/28/04/1114952804.db2.gz XEDLXLMOHZKSMO-LJQANCHMSA-N 2 2 358.489 4.312 20 0 FIADLP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168415372 1115814846 /nfs/dbraw/zinc/81/48/46/1115814846.db2.gz AALZCYZEGVNUKM-SFHVURJKSA-N 2 2 358.888 4.286 20 0 FIADLP CC[N@@H+](Cc1cccc(OC)c1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000669709046 1115847568 /nfs/dbraw/zinc/84/75/68/1115847568.db2.gz OQDWMKKYASYGRV-LJQANCHMSA-N 2 2 356.485 4.178 20 0 FIADLP CC[N@H+](Cc1cccc(OC)c1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000669709046 1115847570 /nfs/dbraw/zinc/84/75/70/1115847570.db2.gz OQDWMKKYASYGRV-LJQANCHMSA-N 2 2 356.485 4.178 20 0 FIADLP CC[NH+](Cc1cccc(OC)c1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000669709046 1115847572 /nfs/dbraw/zinc/84/75/72/1115847572.db2.gz OQDWMKKYASYGRV-LJQANCHMSA-N 2 2 356.485 4.178 20 0 FIADLP CC[NH+](Cc1cccc(OC)c1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000669709046 1115847575 /nfs/dbraw/zinc/84/75/75/1115847575.db2.gz OQDWMKKYASYGRV-LJQANCHMSA-N 2 2 356.485 4.178 20 0 FIADLP CCn1ccnc1C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000606469821 1115948145 /nfs/dbraw/zinc/94/81/45/1115948145.db2.gz NQDOFZPBYGLGMT-UHFFFAOYSA-N 2 2 371.488 4.105 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccccc1Br)c1ccccc1 ZINC000608069302 1116080631 /nfs/dbraw/zinc/08/06/31/1116080631.db2.gz BDEZGHFGZYTFRK-GOSISDBHSA-N 2 2 370.294 4.256 20 0 FIADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168428805 1116322287 /nfs/dbraw/zinc/32/22/87/1116322287.db2.gz SWYJLRTULLXBQT-HSZRJFAPSA-N 2 2 352.497 4.279 20 0 FIADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168428805 1116322288 /nfs/dbraw/zinc/32/22/88/1116322288.db2.gz SWYJLRTULLXBQT-HSZRJFAPSA-N 2 2 352.497 4.279 20 0 FIADLP CCOc1ccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000539689348 1116365898 /nfs/dbraw/zinc/36/58/98/1116365898.db2.gz XCLOCWBALUNSLL-KRWDZBQOSA-N 2 2 368.525 4.184 20 0 FIADLP C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539830559 1116387875 /nfs/dbraw/zinc/38/78/75/1116387875.db2.gz FDYKRDLPCMYFRF-FQEVSTJZSA-N 2 2 360.505 4.031 20 0 FIADLP C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539830559 1116387877 /nfs/dbraw/zinc/38/78/77/1116387877.db2.gz FDYKRDLPCMYFRF-FQEVSTJZSA-N 2 2 360.505 4.031 20 0 FIADLP C[NH+](Cc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539830559 1116387879 /nfs/dbraw/zinc/38/78/79/1116387879.db2.gz FDYKRDLPCMYFRF-FQEVSTJZSA-N 2 2 360.505 4.031 20 0 FIADLP C[NH+](Cc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539830559 1116387881 /nfs/dbraw/zinc/38/78/81/1116387881.db2.gz FDYKRDLPCMYFRF-FQEVSTJZSA-N 2 2 360.505 4.031 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000539852090 1116393175 /nfs/dbraw/zinc/39/31/75/1116393175.db2.gz LVOUYGCTNPNCEF-JKSUJKDBSA-N 2 2 353.348 4.216 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000539852090 1116393177 /nfs/dbraw/zinc/39/31/77/1116393177.db2.gz LVOUYGCTNPNCEF-JKSUJKDBSA-N 2 2 353.348 4.216 20 0 FIADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000539898429 1117740337 /nfs/dbraw/zinc/74/03/37/1117740337.db2.gz QTBJBCQNBOVJRK-GMAHTHKFSA-N 3 2 369.597 4.093 20 0 FIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000539898429 1117740339 /nfs/dbraw/zinc/74/03/39/1117740339.db2.gz QTBJBCQNBOVJRK-GMAHTHKFSA-N 3 2 369.597 4.093 20 0 FIADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000539898429 1117740341 /nfs/dbraw/zinc/74/03/41/1117740341.db2.gz QTBJBCQNBOVJRK-GMAHTHKFSA-N 3 2 369.597 4.093 20 0 FIADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000539898429 1117740344 /nfs/dbraw/zinc/74/03/44/1117740344.db2.gz QTBJBCQNBOVJRK-GMAHTHKFSA-N 3 2 369.597 4.093 20 0 FIADLP c1nc2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)ccc2[nH]1 ZINC000539898439 1117740447 /nfs/dbraw/zinc/74/04/47/1117740447.db2.gz XHDPEHGROSZSEI-REWPJTCUSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)ccc2[nH]1 ZINC000539898439 1117740449 /nfs/dbraw/zinc/74/04/49/1117740449.db2.gz XHDPEHGROSZSEI-REWPJTCUSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)ccc2[nH]1 ZINC000539898439 1117740451 /nfs/dbraw/zinc/74/04/51/1117740451.db2.gz XHDPEHGROSZSEI-REWPJTCUSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)ccc2[nH]1 ZINC000539898439 1117740453 /nfs/dbraw/zinc/74/04/53/1117740453.db2.gz XHDPEHGROSZSEI-REWPJTCUSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cc2[nH]1 ZINC000539898439 1117740454 /nfs/dbraw/zinc/74/04/54/1117740454.db2.gz XHDPEHGROSZSEI-REWPJTCUSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2ccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cc2[nH]1 ZINC000539898439 1117740456 /nfs/dbraw/zinc/74/04/56/1117740456.db2.gz XHDPEHGROSZSEI-REWPJTCUSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2[nH]1 ZINC000539898439 1117740457 /nfs/dbraw/zinc/74/04/57/1117740457.db2.gz XHDPEHGROSZSEI-REWPJTCUSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)cc2[nH]1 ZINC000539898439 1117740460 /nfs/dbraw/zinc/74/04/60/1117740460.db2.gz XHDPEHGROSZSEI-REWPJTCUSA-N 2 2 360.505 4.049 20 0 FIADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)cc2)c1C ZINC000462761769 1117752812 /nfs/dbraw/zinc/75/28/12/1117752812.db2.gz LBWFELBVEFISFM-JOCHJYFZSA-N 2 2 374.488 4.092 20 0 FIADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)cc2)c1C ZINC000462761769 1117752818 /nfs/dbraw/zinc/75/28/18/1117752818.db2.gz LBWFELBVEFISFM-JOCHJYFZSA-N 2 2 374.488 4.092 20 0 FIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000462791146 1117773465 /nfs/dbraw/zinc/77/34/65/1117773465.db2.gz QPTDKWXPUKDMQX-HXUWFJFHSA-N 2 2 360.542 4.171 20 0 FIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C)o1 ZINC000506008909 1117939129 /nfs/dbraw/zinc/93/91/29/1117939129.db2.gz FLFUJERMJZPGRW-UHFFFAOYSA-N 2 2 353.466 4.276 20 0 FIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C)o1 ZINC000506008909 1117939133 /nfs/dbraw/zinc/93/91/33/1117939133.db2.gz FLFUJERMJZPGRW-UHFFFAOYSA-N 2 2 353.466 4.276 20 0 FIADLP c1ccc(CC[NH+]2CCC([NH2+][C@@H](c3ccccc3)c3cccnc3)CC2)cc1 ZINC000463116046 1117977810 /nfs/dbraw/zinc/97/78/10/1117977810.db2.gz BERNFFNVHIEDME-VWLOTQADSA-N 2 2 371.528 4.468 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)cc1 ZINC000463120468 1117979082 /nfs/dbraw/zinc/97/90/82/1117979082.db2.gz VYRKYIMYTZSIKZ-HUVFLSCGSA-N 2 2 365.565 4.240 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)cc1 ZINC000463120468 1117979085 /nfs/dbraw/zinc/97/90/85/1117979085.db2.gz VYRKYIMYTZSIKZ-HUVFLSCGSA-N 2 2 365.565 4.240 20 0 FIADLP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C12CCCCC2 ZINC000540597504 1118139980 /nfs/dbraw/zinc/13/99/80/1118139980.db2.gz TWXGGRICDSXTSV-LEWJYISDSA-N 2 2 353.510 4.149 20 0 FIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H](CC3CC3)c3ccccc3)[nH+]c2)C1 ZINC000540757827 1118225784 /nfs/dbraw/zinc/22/57/84/1118225784.db2.gz DGGBQLGODINJNG-SFTDATJTSA-N 2 2 350.510 4.175 20 0 FIADLP Cc1ccc2c(c1)[C@@H](Nc1ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]1)CCC2 ZINC000540758672 1118225807 /nfs/dbraw/zinc/22/58/07/1118225807.db2.gz VWTYUANNKSARSC-CTNGQTDRSA-N 2 2 350.510 4.020 20 0 FIADLP c1cn(CCCC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c[nH+]1 ZINC000541204335 1118422812 /nfs/dbraw/zinc/42/28/12/1118422812.db2.gz VZMYYYONDJWUGY-UHFFFAOYSA-N 2 2 350.466 4.231 20 0 FIADLP CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000541376813 1118494064 /nfs/dbraw/zinc/49/40/64/1118494064.db2.gz CFJLBSUUZGLPDY-UHFFFAOYSA-N 2 2 369.490 4.179 20 0 FIADLP FC(F)(F)c1cccc(OCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000541386726 1118497902 /nfs/dbraw/zinc/49/79/02/1118497902.db2.gz RTXXAMMQXRRLCL-UHFFFAOYSA-N 2 2 367.396 4.121 20 0 FIADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000541849157 1118670031 /nfs/dbraw/zinc/67/00/31/1118670031.db2.gz ANZAXJIPFBAFIQ-UHFFFAOYSA-N 2 2 370.496 4.378 20 0 FIADLP COc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)ccc1SC ZINC000542132077 1118808016 /nfs/dbraw/zinc/80/80/16/1118808016.db2.gz IRYMATBDUMKDPX-UHFFFAOYSA-N 2 2 359.539 4.306 20 0 FIADLP Brc1ccccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132634 1118809815 /nfs/dbraw/zinc/80/98/15/1118809815.db2.gz FYJKCVYFEQFSDE-UHFFFAOYSA-N 2 2 362.315 4.338 20 0 FIADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](COC)Cc1ccccc1 ZINC000542464255 1119186478 /nfs/dbraw/zinc/18/64/78/1119186478.db2.gz DVESIWVAKDHKCT-SFHVURJKSA-N 2 2 355.507 4.013 20 0 FIADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](COC)Cc1ccccc1 ZINC000542464255 1119186482 /nfs/dbraw/zinc/18/64/82/1119186482.db2.gz DVESIWVAKDHKCT-SFHVURJKSA-N 2 2 355.507 4.013 20 0 FIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1N1CCCC1 ZINC000542466534 1119461120 /nfs/dbraw/zinc/46/11/20/1119461120.db2.gz LWHXOFBELVFQCB-UHFFFAOYSA-N 2 2 352.507 4.166 20 0 FIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1N1CCCC1 ZINC000542466534 1119461123 /nfs/dbraw/zinc/46/11/23/1119461123.db2.gz LWHXOFBELVFQCB-UHFFFAOYSA-N 2 2 352.507 4.166 20 0 FIADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000186911799 1119756738 /nfs/dbraw/zinc/75/67/38/1119756738.db2.gz QAAFQTZTQOLPDL-UHFFFAOYSA-N 2 2 353.510 4.063 20 0 FIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000186911799 1119756744 /nfs/dbraw/zinc/75/67/44/1119756744.db2.gz QAAFQTZTQOLPDL-UHFFFAOYSA-N 2 2 353.510 4.063 20 0 FIADLP COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000187160672 1119770355 /nfs/dbraw/zinc/77/03/55/1119770355.db2.gz IQUBKQJGLDGMQH-UHFFFAOYSA-N 2 2 370.456 4.233 20 0 FIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)C2CCSCC2)CCOCC1)c1ccccc1 ZINC000187230494 1119774368 /nfs/dbraw/zinc/77/43/68/1119774368.db2.gz YIIHHQWIECYJRV-ZWKOTPCHSA-N 2 2 362.583 4.008 20 0 FIADLP FC(F)(F)c1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc(C(F)(F)F)c1 ZINC000494401446 1119850872 /nfs/dbraw/zinc/85/08/72/1119850872.db2.gz AUYUBFHRTULUNG-CYBMUJFWSA-N 2 2 363.305 4.025 20 0 FIADLP CCCn1nc(C)c(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1C ZINC000494442435 1119862420 /nfs/dbraw/zinc/86/24/20/1119862420.db2.gz DOXZCVADPALBQH-JOCHJYFZSA-N 2 2 354.542 4.054 20 0 FIADLP CCCn1nc(C)c(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1C ZINC000494442435 1119862423 /nfs/dbraw/zinc/86/24/23/1119862423.db2.gz DOXZCVADPALBQH-JOCHJYFZSA-N 2 2 354.542 4.054 20 0 FIADLP Cc1c([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cnn1C(C)(C)C ZINC000191157964 1119962738 /nfs/dbraw/zinc/96/27/38/1119962738.db2.gz DEYFRHMYUTWPKD-QGZVFWFLSA-N 2 2 365.525 4.085 20 0 FIADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cnn1C(C)(C)C ZINC000191168134 1119963125 /nfs/dbraw/zinc/96/31/25/1119963125.db2.gz MVWHMUPWLLAQKI-SFHVURJKSA-N 2 2 368.569 4.304 20 0 FIADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cnn1C(C)C ZINC000191330092 1119971767 /nfs/dbraw/zinc/97/17/67/1119971767.db2.gz LPIIEFABZOQSNQ-LVCYWYKZSA-N 2 2 354.542 4.476 20 0 FIADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cnn1C(C)C ZINC000191330092 1119971768 /nfs/dbraw/zinc/97/17/68/1119971768.db2.gz LPIIEFABZOQSNQ-LVCYWYKZSA-N 2 2 354.542 4.476 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192135461 1120026710 /nfs/dbraw/zinc/02/67/10/1120026710.db2.gz CDKHPZUQNYKQHC-RTWAWAEBSA-N 2 2 369.415 4.079 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000192151354 1120030478 /nfs/dbraw/zinc/03/04/78/1120030478.db2.gz ZJHGLIKVXBQWSO-QGZVFWFLSA-N 2 2 374.488 4.380 20 0 FIADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192190370 1120037800 /nfs/dbraw/zinc/03/78/00/1120037800.db2.gz XBKQFPYBBSHEJU-INIZCTEOSA-N 2 2 351.498 4.291 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnc(-c3ccco3)s2)cc1F ZINC000193044129 1120096012 /nfs/dbraw/zinc/09/60/12/1120096012.db2.gz IBYGWBMNVYVDFE-UHFFFAOYSA-N 2 2 368.437 4.326 20 0 FIADLP CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C[NH+](CC)CC)cc2)n1 ZINC000915144293 1120836978 /nfs/dbraw/zinc/83/69/78/1120836978.db2.gz LIFACYVNOVDEGU-UHFFFAOYSA-N 2 2 374.554 4.079 20 0 FIADLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc(Br)ncc1F ZINC000762737705 1120956799 /nfs/dbraw/zinc/95/67/99/1120956799.db2.gz TVIKMEYYXJXZIU-MCIONIFRSA-N 2 2 372.326 4.002 20 0 FIADLP CC(C)[NH+](CCC[NH2+][C@@H](C)c1cc(Br)ncc1F)C(C)C ZINC000762753281 1120958059 /nfs/dbraw/zinc/95/80/59/1120958059.db2.gz FHOSGFXHWUFHQY-ZDUSSCGKSA-N 2 2 360.315 4.143 20 0 FIADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cc(Br)ncc1F ZINC000762760324 1120960235 /nfs/dbraw/zinc/96/02/35/1120960235.db2.gz LXGVZYFARATNAW-SMDDNHRTSA-N 2 2 360.315 4.000 20 0 FIADLP c1cn(-c2ccc(-c3noc([C@@H]4CC[C@H](c5ccccc5)[NH2+]C4)n3)cc2)c[nH+]1 ZINC001212207293 1120979448 /nfs/dbraw/zinc/97/94/48/1120979448.db2.gz FTTIOBNPPCVPDR-UYAOXDASSA-N 2 2 371.444 4.131 20 0 FIADLP c1cn(CCCC[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)c[nH+]1 ZINC000326376881 1121308851 /nfs/dbraw/zinc/30/88/51/1121308851.db2.gz HJJIFTIPWFIBSV-UHFFFAOYSA-N 2 2 352.463 4.323 20 0 FIADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(F)c1 ZINC000397985149 1121330778 /nfs/dbraw/zinc/33/07/78/1121330778.db2.gz NZJYMDREQZEPAW-HYFFOGBASA-N 2 2 356.485 4.396 20 0 FIADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(F)c1 ZINC000397985149 1121330787 /nfs/dbraw/zinc/33/07/87/1121330787.db2.gz NZJYMDREQZEPAW-HYFFOGBASA-N 2 2 356.485 4.396 20 0 FIADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000124921619 1121731372 /nfs/dbraw/zinc/73/13/72/1121731372.db2.gz BLAGDKSZFNRJFG-GOSISDBHSA-N 2 2 367.415 4.064 20 0 FIADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000124921619 1121731378 /nfs/dbraw/zinc/73/13/78/1121731378.db2.gz BLAGDKSZFNRJFG-GOSISDBHSA-N 2 2 367.415 4.064 20 0 FIADLP COc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c2ccccc2n1 ZINC000124941316 1121732580 /nfs/dbraw/zinc/73/25/80/1121732580.db2.gz OONQABMUQZQTHI-INIZCTEOSA-N 2 2 358.445 4.280 20 0 FIADLP CC[NH+]1CCC([N@H+](C)Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000125284085 1121764726 /nfs/dbraw/zinc/76/47/26/1121764726.db2.gz MGMOYQOWUTZPSI-UHFFFAOYSA-N 2 2 366.553 4.141 20 0 FIADLP CC[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000125284085 1121764731 /nfs/dbraw/zinc/76/47/31/1121764731.db2.gz MGMOYQOWUTZPSI-UHFFFAOYSA-N 2 2 366.553 4.141 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(SC2CCCC2)cc1 ZINC000765795952 1122012029 /nfs/dbraw/zinc/01/20/29/1122012029.db2.gz GQJZOBFTJBSESA-WDSOQIARSA-N 2 2 360.567 4.235 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(SC2CCCC2)cc1 ZINC000765795952 1122012038 /nfs/dbraw/zinc/01/20/38/1122012038.db2.gz GQJZOBFTJBSESA-WDSOQIARSA-N 2 2 360.567 4.235 20 0 FIADLP CC(C)[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cn1 ZINC000497549837 1122272174 /nfs/dbraw/zinc/27/21/74/1122272174.db2.gz GDXYDXZBZCAHEG-JOCHJYFZSA-N 2 2 355.501 4.215 20 0 FIADLP Fc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1OCC(F)(F)F ZINC000542702197 1122302635 /nfs/dbraw/zinc/30/26/35/1122302635.db2.gz QYWXLPXDCZCWGD-MRXNPFEDSA-N 2 2 374.422 4.075 20 0 FIADLP Fc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1OCC(F)(F)F ZINC000542702197 1122302643 /nfs/dbraw/zinc/30/26/43/1122302643.db2.gz QYWXLPXDCZCWGD-MRXNPFEDSA-N 2 2 374.422 4.075 20 0 FIADLP CCC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1nnc2ccccn21 ZINC000129277055 1122563262 /nfs/dbraw/zinc/56/32/62/1122563262.db2.gz GYDVPSICOSTXMR-APWZRJJASA-N 2 2 360.465 4.107 20 0 FIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000444794531 1122621857 /nfs/dbraw/zinc/62/18/57/1122621857.db2.gz SDADFXWTPBZVMT-CYBMUJFWSA-N 2 2 374.460 4.201 20 0 FIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000444794531 1122621859 /nfs/dbraw/zinc/62/18/59/1122621859.db2.gz SDADFXWTPBZVMT-CYBMUJFWSA-N 2 2 374.460 4.201 20 0 FIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)s2)C[C@H]1c1ccccc1 ZINC000556057389 1122628309 /nfs/dbraw/zinc/62/83/09/1122628309.db2.gz CBLCPJILSVMHMQ-HOCLYGCPSA-N 2 2 365.340 4.436 20 0 FIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)s2)C[C@H]1c1ccccc1 ZINC000556057389 1122628311 /nfs/dbraw/zinc/62/83/11/1122628311.db2.gz CBLCPJILSVMHMQ-HOCLYGCPSA-N 2 2 365.340 4.436 20 0 FIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2sccc2Br)C[C@H]1c1ccccc1 ZINC000556119107 1122670744 /nfs/dbraw/zinc/67/07/44/1122670744.db2.gz PEGIXCODFXQDOO-ZBFHGGJFSA-N 2 2 365.340 4.436 20 0 FIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2sccc2Br)C[C@H]1c1ccccc1 ZINC000556119107 1122670749 /nfs/dbraw/zinc/67/07/49/1122670749.db2.gz PEGIXCODFXQDOO-ZBFHGGJFSA-N 2 2 365.340 4.436 20 0 FIADLP CC(C)CCn1nc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000556165300 1122706805 /nfs/dbraw/zinc/70/68/05/1122706805.db2.gz KYCYFUMRDCVLGN-UHFFFAOYSA-N 2 2 354.542 4.046 20 0 FIADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132272889 1123238086 /nfs/dbraw/zinc/23/80/86/1123238086.db2.gz QHUDUBROXZIERX-FQEVSTJZSA-N 2 2 351.881 4.404 20 0 FIADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132272429 1123238098 /nfs/dbraw/zinc/23/80/98/1123238098.db2.gz FLFRMZZYNMLWQE-MRXNPFEDSA-N 2 2 369.896 4.487 20 0 FIADLP c1cn(-c2ccccc2)nc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499138737 1123280938 /nfs/dbraw/zinc/28/09/38/1123280938.db2.gz IBXULQGNRNVOHC-ULPXVVAUSA-N 2 2 372.516 4.158 20 0 FIADLP c1cn(-c2ccccc2)nc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499138737 1123280945 /nfs/dbraw/zinc/28/09/45/1123280945.db2.gz IBXULQGNRNVOHC-ULPXVVAUSA-N 2 2 372.516 4.158 20 0 FIADLP c1cn(-c2ccccc2)nc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499138738 1123281404 /nfs/dbraw/zinc/28/14/04/1123281404.db2.gz IBXULQGNRNVOHC-VILGAWFOSA-N 2 2 372.516 4.158 20 0 FIADLP c1cn(-c2ccccc2)nc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499138738 1123281405 /nfs/dbraw/zinc/28/14/05/1123281405.db2.gz IBXULQGNRNVOHC-VILGAWFOSA-N 2 2 372.516 4.158 20 0 FIADLP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CCC2 ZINC000132642220 1123312599 /nfs/dbraw/zinc/31/25/99/1123312599.db2.gz BHOFDUABWCMAAF-KRWDZBQOSA-N 2 2 372.394 4.453 20 0 FIADLP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000920412782 1123453170 /nfs/dbraw/zinc/45/31/70/1123453170.db2.gz GKKCSKOKBDMIPJ-UHFFFAOYSA-N 2 2 371.488 4.273 20 0 FIADLP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000134314198 1123624366 /nfs/dbraw/zinc/62/43/66/1123624366.db2.gz JMBYVZXOJFNLRG-KRWDZBQOSA-N 2 2 350.293 4.346 20 0 FIADLP Cc1cc(Cl)ccc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000136176043 1123858147 /nfs/dbraw/zinc/85/81/47/1123858147.db2.gz GUQCHERGONCHRF-UHFFFAOYSA-N 2 2 357.929 4.182 20 0 FIADLP Cc1cc(Cl)ccc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000136176043 1123858152 /nfs/dbraw/zinc/85/81/52/1123858152.db2.gz GUQCHERGONCHRF-UHFFFAOYSA-N 2 2 357.929 4.182 20 0 FIADLP Cc1cc(NC[C@@H](c2cccc(F)c2)[NH+]2CCOCC2)c2ccccc2[nH+]1 ZINC000195712445 1124012780 /nfs/dbraw/zinc/01/27/80/1124012780.db2.gz XPMOOPUZWXOVRR-QFIPXVFZSA-N 2 2 365.452 4.168 20 0 FIADLP Clc1ccc(OCc2cccnc2)c(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000616026494 1124204708 /nfs/dbraw/zinc/20/47/08/1124204708.db2.gz RHCXDCKOYCONDS-UHFFFAOYSA-N 2 2 370.884 4.081 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000474798156 1124347968 /nfs/dbraw/zinc/34/79/68/1124347968.db2.gz WSUVGUHILHEBJR-FHERZECASA-N 2 2 364.496 4.223 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@@H](C)C1 ZINC000246782165 1124560030 /nfs/dbraw/zinc/56/00/30/1124560030.db2.gz IMTNTSCEJSMVMX-SWLSCSKDSA-N 2 2 355.404 4.009 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@@H](C)C1 ZINC000246782165 1124560031 /nfs/dbraw/zinc/56/00/31/1124560031.db2.gz IMTNTSCEJSMVMX-SWLSCSKDSA-N 2 2 355.404 4.009 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@@H](C)C1 ZINC000246782165 1124560033 /nfs/dbraw/zinc/56/00/33/1124560033.db2.gz IMTNTSCEJSMVMX-SWLSCSKDSA-N 2 2 355.404 4.009 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@@H](C)C1 ZINC000246782165 1124560034 /nfs/dbraw/zinc/56/00/34/1124560034.db2.gz IMTNTSCEJSMVMX-SWLSCSKDSA-N 2 2 355.404 4.009 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000246864947 1124568760 /nfs/dbraw/zinc/56/87/60/1124568760.db2.gz CRIPMYXBEMULSJ-JAUXOLPYSA-N 2 2 353.491 4.022 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000247160623 1124596665 /nfs/dbraw/zinc/59/66/65/1124596665.db2.gz UDEHUGLGVOUBEN-NZQKXSOJSA-N 2 2 363.549 4.394 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000247160623 1124596667 /nfs/dbraw/zinc/59/66/67/1124596667.db2.gz UDEHUGLGVOUBEN-NZQKXSOJSA-N 2 2 363.549 4.394 20 0 FIADLP COc1ccc(C[NH+]2CCC([NH2+][C@@H]3Cc4cccc(Cl)c4C3)CC2)cc1 ZINC001168683877 1124800331 /nfs/dbraw/zinc/80/03/31/1124800331.db2.gz AYSQQOHXVDJBNB-LJQANCHMSA-N 2 2 370.924 4.070 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249108337 1124843608 /nfs/dbraw/zinc/84/36/08/1124843608.db2.gz MANRUCRJQXVWNS-SPHCQZIESA-N 2 2 363.549 4.293 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249108337 1124843615 /nfs/dbraw/zinc/84/36/15/1124843615.db2.gz MANRUCRJQXVWNS-SPHCQZIESA-N 2 2 363.549 4.293 20 0 FIADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000090772376 1125019644 /nfs/dbraw/zinc/01/96/44/1125019644.db2.gz LWPUATIJGWBROO-JXFKEZNVSA-N 2 2 373.928 4.134 20 0 FIADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000090772376 1125019651 /nfs/dbraw/zinc/01/96/51/1125019651.db2.gz LWPUATIJGWBROO-JXFKEZNVSA-N 2 2 373.928 4.134 20 0 FIADLP COC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000091413681 1125072127 /nfs/dbraw/zinc/07/21/27/1125072127.db2.gz KWJVWLQZQQSJHZ-XOBRGWDASA-N 2 2 357.404 4.189 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1nc2c(s1)CCCC2 ZINC000093396716 1125317948 /nfs/dbraw/zinc/31/79/48/1125317948.db2.gz SHZCJTJRXIPUHD-HNNXBMFYSA-N 2 2 352.507 4.118 20 0 FIADLP CCOc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1OC(F)F ZINC000093564139 1125439693 /nfs/dbraw/zinc/43/96/93/1125439693.db2.gz RAZFLYJGNKQDJQ-KRWDZBQOSA-N 2 2 368.468 4.137 20 0 FIADLP CCOc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1OC(F)F ZINC000093564139 1125439695 /nfs/dbraw/zinc/43/96/95/1125439695.db2.gz RAZFLYJGNKQDJQ-KRWDZBQOSA-N 2 2 368.468 4.137 20 0 FIADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]C2CCC(C)(c3ccccc3)CC2)CCO1 ZINC000275616167 527512371 /nfs/dbraw/zinc/51/23/71/527512371.db2.gz RIWOHAYQAFPUQA-YFWYPPOWSA-N 2 2 353.510 4.130 20 0 FIADLP COc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000188797997 567984774 /nfs/dbraw/zinc/98/47/74/567984774.db2.gz PPRODQQNGIFNSQ-OAHLLOKOSA-N 2 2 359.901 4.059 20 0 FIADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000604773125 568363643 /nfs/dbraw/zinc/36/36/43/568363643.db2.gz AIADOQNXPIDBPY-MLGOLLRUSA-N 2 2 374.356 4.276 20 0 FIADLP Cc1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(C(C)C)[nH+]1 ZINC001164997209 722207513 /nfs/dbraw/zinc/20/75/13/722207513.db2.gz XDKFHCDRUSVGGF-JOCHJYFZSA-N 2 2 368.500 4.292 20 0 FIADLP Cc1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(C(C)C)[nH+]1 ZINC001164997209 722207516 /nfs/dbraw/zinc/20/75/16/722207516.db2.gz XDKFHCDRUSVGGF-JOCHJYFZSA-N 2 2 368.500 4.292 20 0 FIADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OCc1ccccc1 ZINC000093643626 1125470905 /nfs/dbraw/zinc/47/09/05/1125470905.db2.gz AYWRQSGEYFOWCJ-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OCc1ccccc1 ZINC000093643626 1125470914 /nfs/dbraw/zinc/47/09/14/1125470914.db2.gz AYWRQSGEYFOWCJ-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCc1ccccc1 ZINC000093643626 1125470921 /nfs/dbraw/zinc/47/09/21/1125470921.db2.gz AYWRQSGEYFOWCJ-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCc1ccccc1 ZINC000093643626 1125470928 /nfs/dbraw/zinc/47/09/28/1125470928.db2.gz AYWRQSGEYFOWCJ-WIYYLYMNSA-N 2 2 368.521 4.189 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[N@@H+]1C ZINC000093644389 1125472643 /nfs/dbraw/zinc/47/26/43/1125472643.db2.gz NADUZHVSDQRRHT-XLIONFOSSA-N 2 2 354.542 4.084 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[N@H+]1C ZINC000093644389 1125472650 /nfs/dbraw/zinc/47/26/50/1125472650.db2.gz NADUZHVSDQRRHT-XLIONFOSSA-N 2 2 354.542 4.084 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[NH+]1C ZINC000093644389 1125472654 /nfs/dbraw/zinc/47/26/54/1125472654.db2.gz NADUZHVSDQRRHT-XLIONFOSSA-N 2 2 354.542 4.084 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[NH+]1C ZINC000093644389 1125472658 /nfs/dbraw/zinc/47/26/58/1125472658.db2.gz NADUZHVSDQRRHT-XLIONFOSSA-N 2 2 354.542 4.084 20 0 FIADLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000261716890 1125649865 /nfs/dbraw/zinc/64/98/65/1125649865.db2.gz QHONTRBMDMAWGA-DCAQKATOSA-N 2 2 354.338 4.454 20 0 FIADLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000261716890 1125649868 /nfs/dbraw/zinc/64/98/68/1125649868.db2.gz QHONTRBMDMAWGA-DCAQKATOSA-N 2 2 354.338 4.454 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2cccc(Br)c21 ZINC000152800442 1125654415 /nfs/dbraw/zinc/65/44/15/1125654415.db2.gz LSZOGSWBXIFTIW-CXAGYDPISA-N 2 2 374.326 4.363 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]Cc2ncc(C)s2)cc1C[NH+]1CCCCC1 ZINC000183035045 1125728826 /nfs/dbraw/zinc/72/88/26/1125728826.db2.gz UGSHBARFPDEPRH-MRXNPFEDSA-N 2 2 359.539 4.297 20 0 FIADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000023890105 1080024984 /nfs/dbraw/zinc/02/49/84/1080024984.db2.gz ISKDMQOFCSNGEU-UHFFFAOYSA-N 2 2 360.461 4.111 20 0 FIADLP O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000134794181 1080394889 /nfs/dbraw/zinc/39/48/89/1080394889.db2.gz UMYDSZDZBNOFQH-YADHBBJMSA-N 2 2 365.452 4.100 20 0 FIADLP O[C@@H](C[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000134794181 1080394895 /nfs/dbraw/zinc/39/48/95/1080394895.db2.gz UMYDSZDZBNOFQH-YADHBBJMSA-N 2 2 365.452 4.100 20 0 FIADLP Cc1nc2ccccc2nc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246968184 1080659954 /nfs/dbraw/zinc/65/99/54/1080659954.db2.gz GNNQPBMNUPAXKH-RXVVDRJESA-N 2 2 374.532 4.423 20 0 FIADLP Cc1nc2ccccc2nc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246968184 1080659960 /nfs/dbraw/zinc/65/99/60/1080659960.db2.gz GNNQPBMNUPAXKH-RXVVDRJESA-N 2 2 374.532 4.423 20 0 FIADLP Cc1nc2ccccc2nc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246968184 1080659964 /nfs/dbraw/zinc/65/99/64/1080659964.db2.gz GNNQPBMNUPAXKH-RXVVDRJESA-N 2 2 374.532 4.423 20 0 FIADLP Cc1nc2ccccc2nc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246968184 1080659968 /nfs/dbraw/zinc/65/99/68/1080659968.db2.gz GNNQPBMNUPAXKH-RXVVDRJESA-N 2 2 374.532 4.423 20 0 FIADLP Cc1nc2ccccc2nc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246968161 1080660376 /nfs/dbraw/zinc/66/03/76/1080660376.db2.gz GNNQPBMNUPAXKH-GHTZIAJQSA-N 2 2 374.532 4.423 20 0 FIADLP Cc1nc2ccccc2nc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246968161 1080660384 /nfs/dbraw/zinc/66/03/84/1080660384.db2.gz GNNQPBMNUPAXKH-GHTZIAJQSA-N 2 2 374.532 4.423 20 0 FIADLP Cc1nc2ccccc2nc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246968161 1080660389 /nfs/dbraw/zinc/66/03/89/1080660389.db2.gz GNNQPBMNUPAXKH-GHTZIAJQSA-N 2 2 374.532 4.423 20 0 FIADLP Cc1nc2ccccc2nc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246968161 1080660396 /nfs/dbraw/zinc/66/03/96/1080660396.db2.gz GNNQPBMNUPAXKH-GHTZIAJQSA-N 2 2 374.532 4.423 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)s1 ZINC000510225063 1080810742 /nfs/dbraw/zinc/81/07/42/1080810742.db2.gz BJBDTLPNPLZRPY-HXUWFJFHSA-N 2 2 351.519 4.278 20 0 FIADLP COc1ccc(OC)c(CCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000537952901 1080938708 /nfs/dbraw/zinc/93/87/08/1080938708.db2.gz XWPZLSNHGPTBAX-QGZVFWFLSA-N 2 2 365.477 4.173 20 0 FIADLP COc1ccc(OC)c(CCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000537952900 1080938807 /nfs/dbraw/zinc/93/88/07/1080938807.db2.gz XWPZLSNHGPTBAX-KRWDZBQOSA-N 2 2 365.477 4.173 20 0 FIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccc(OC)c(OC)c1 ZINC000510261512 1080940548 /nfs/dbraw/zinc/94/05/48/1080940548.db2.gz ZYNUNWPLMGMURA-FQEVSTJZSA-N 2 2 365.477 4.439 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000655678748 1081113475 /nfs/dbraw/zinc/11/34/75/1081113475.db2.gz CEJOCFGWDHHXQV-WZONZLPQSA-N 2 2 350.506 4.258 20 0 FIADLP Cc1ccc(C)c([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000655703968 1081125725 /nfs/dbraw/zinc/12/57/25/1081125725.db2.gz OKFOETYFLWDFDX-UPVQGACJSA-N 2 2 364.533 4.236 20 0 FIADLP Cc1ccccc1Oc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655712030 1081130243 /nfs/dbraw/zinc/13/02/43/1081130243.db2.gz LHGOGTZSRFMZAG-NRFANRHFSA-N 2 2 366.505 4.130 20 0 FIADLP CC(C)C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655715847 1081136316 /nfs/dbraw/zinc/13/63/16/1081136316.db2.gz ORNQNZNWXSKFCJ-VQTJNVASSA-N 2 2 350.934 4.270 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Cl)ccc1Cl ZINC000655755967 1081176906 /nfs/dbraw/zinc/17/69/06/1081176906.db2.gz JUXIFKXEJXLNKI-CJNGLKHVSA-N 2 2 357.325 4.287 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848610 1081257321 /nfs/dbraw/zinc/25/73/21/1081257321.db2.gz JEFWVMMYWFOEMV-QMMLZNLJSA-N 2 2 357.542 4.134 20 0 FIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848610 1081257323 /nfs/dbraw/zinc/25/73/23/1081257323.db2.gz JEFWVMMYWFOEMV-QMMLZNLJSA-N 2 2 357.542 4.134 20 0 FIADLP c1c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)noc1-c1ccccc1 ZINC000580641315 1082062691 /nfs/dbraw/zinc/06/26/91/1082062691.db2.gz NMUWPACUBAXMTL-FGZHOGPDSA-N 2 2 373.500 4.296 20 0 FIADLP c1c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)noc1-c1ccccc1 ZINC000580641315 1082062699 /nfs/dbraw/zinc/06/26/99/1082062699.db2.gz NMUWPACUBAXMTL-FGZHOGPDSA-N 2 2 373.500 4.296 20 0 FIADLP c1c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)noc1-c1ccccc1 ZINC000580641315 1082062706 /nfs/dbraw/zinc/06/27/06/1082062706.db2.gz NMUWPACUBAXMTL-FGZHOGPDSA-N 2 2 373.500 4.296 20 0 FIADLP c1c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)noc1-c1ccccc1 ZINC000580641315 1082062714 /nfs/dbraw/zinc/06/27/14/1082062714.db2.gz NMUWPACUBAXMTL-FGZHOGPDSA-N 2 2 373.500 4.296 20 0 FIADLP Cc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1Br ZINC001167429485 1082077108 /nfs/dbraw/zinc/07/71/08/1082077108.db2.gz KARYLXOZEDPANH-MRXNPFEDSA-N 2 2 351.332 4.065 20 0 FIADLP Cc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1Br ZINC001167429485 1082077118 /nfs/dbraw/zinc/07/71/18/1082077118.db2.gz KARYLXOZEDPANH-MRXNPFEDSA-N 2 2 351.332 4.065 20 0 FIADLP C[NH+]1CCC([N@H+](Cc2ccc(Br)cc2F)C2CCCC2)CC1 ZINC001204555390 1082470688 /nfs/dbraw/zinc/47/06/88/1082470688.db2.gz OVGPHELZRCIGBS-UHFFFAOYSA-N 2 2 369.322 4.427 20 0 FIADLP C[NH+]1CCC([N@@H+](Cc2ccc(Br)cc2F)C2CCCC2)CC1 ZINC001204555390 1082470692 /nfs/dbraw/zinc/47/06/92/1082470692.db2.gz OVGPHELZRCIGBS-UHFFFAOYSA-N 2 2 369.322 4.427 20 0 FIADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccccc1Cl ZINC000090116829 1082639616 /nfs/dbraw/zinc/63/96/16/1082639616.db2.gz IQUPOZOXSDZEFA-QKLQHJQFSA-N 2 2 373.928 4.003 20 0 FIADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccccc1Cl ZINC000090116829 1082639617 /nfs/dbraw/zinc/63/96/17/1082639617.db2.gz IQUPOZOXSDZEFA-QKLQHJQFSA-N 2 2 373.928 4.003 20 0 FIADLP CCC[NH+]1CCC([N@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)CC1 ZINC000510466922 1082917215 /nfs/dbraw/zinc/91/72/15/1082917215.db2.gz DFZXFVMUMPQAJS-UHFFFAOYSA-N 2 2 354.542 4.302 20 0 FIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)CC1 ZINC000510466922 1082917218 /nfs/dbraw/zinc/91/72/18/1082917218.db2.gz DFZXFVMUMPQAJS-UHFFFAOYSA-N 2 2 354.542 4.302 20 0 FIADLP C[C@@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1cccc(OCC[NH+](C)C)c1 ZINC000430756065 1083151468 /nfs/dbraw/zinc/15/14/68/1083151468.db2.gz RYRVFFVTEHRTFW-GFCCVEGCSA-N 2 2 370.390 4.034 20 0 FIADLP C[C@@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000510665657 1083227907 /nfs/dbraw/zinc/22/79/07/1083227907.db2.gz CJXRAUGUIGTKFK-LSDHHAIUSA-N 2 2 361.480 4.385 20 0 FIADLP C[C@@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430934699 1083242327 /nfs/dbraw/zinc/24/23/27/1083242327.db2.gz QNVUBVXTNWMTRS-DOTOQJQBSA-N 2 2 368.912 4.080 20 0 FIADLP C[C@@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430934699 1083242329 /nfs/dbraw/zinc/24/23/29/1083242329.db2.gz QNVUBVXTNWMTRS-DOTOQJQBSA-N 2 2 368.912 4.080 20 0 FIADLP Brc1ccc2c(c1)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)CC2 ZINC000510753301 1083291571 /nfs/dbraw/zinc/29/15/71/1083291571.db2.gz MKFVAANAZWMOIR-KRWDZBQOSA-N 2 2 360.299 4.313 20 0 FIADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658293082 1083396110 /nfs/dbraw/zinc/39/61/10/1083396110.db2.gz CSVWAXVCMAOHDA-WMZOPIPTSA-N 2 2 368.974 4.054 20 0 FIADLP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000658294853 1083397725 /nfs/dbraw/zinc/39/77/25/1083397725.db2.gz JWRYMVQIQDISMR-MSYCTHLASA-N 2 2 358.570 4.220 20 0 FIADLP CCn1c2ccccc2nc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000685850865 1084385989 /nfs/dbraw/zinc/38/59/89/1084385989.db2.gz KCEYPLPOQNKTLG-SFTDATJTSA-N 2 2 374.532 4.010 20 0 FIADLP CCn1c2ccccc2nc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000685850865 1084386005 /nfs/dbraw/zinc/38/60/05/1084386005.db2.gz KCEYPLPOQNKTLG-SFTDATJTSA-N 2 2 374.532 4.010 20 0 FIADLP CCn1c2ccccc2nc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000685850865 1084386017 /nfs/dbraw/zinc/38/60/17/1084386017.db2.gz KCEYPLPOQNKTLG-SFTDATJTSA-N 2 2 374.532 4.010 20 0 FIADLP CCn1c2ccccc2nc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000685850865 1084386035 /nfs/dbraw/zinc/38/60/35/1084386035.db2.gz KCEYPLPOQNKTLG-SFTDATJTSA-N 2 2 374.532 4.010 20 0 FIADLP COCC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccco1 ZINC000582486968 1085063121 /nfs/dbraw/zinc/06/31/21/1085063121.db2.gz UOVFVNVFTKNFAY-VQTJNVASSA-N 2 2 354.494 4.144 20 0 FIADLP COCC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccco1 ZINC000582486968 1085063129 /nfs/dbraw/zinc/06/31/29/1085063129.db2.gz UOVFVNVFTKNFAY-VQTJNVASSA-N 2 2 354.494 4.144 20 0 FIADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000560246529 1085169803 /nfs/dbraw/zinc/16/98/03/1085169803.db2.gz RYGBKTOFUGVGBF-CDHQVMDDSA-N 2 2 365.452 4.302 20 0 FIADLP c1coc(-c2nc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)cs2)c1 ZINC000048564797 1085902892 /nfs/dbraw/zinc/90/28/92/1085902892.db2.gz KQZSKRFTOHCPQY-UHFFFAOYSA-N 2 2 359.539 4.491 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652353467 1085935666 /nfs/dbraw/zinc/93/56/66/1085935666.db2.gz LGVQNMACBYADJN-PXNSSMCTSA-N 2 2 359.558 4.321 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652353467 1085935669 /nfs/dbraw/zinc/93/56/69/1085935669.db2.gz LGVQNMACBYADJN-PXNSSMCTSA-N 2 2 359.558 4.321 20 0 FIADLP C[C@@H]([NH2+]Cc1cscc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511913429 1085958690 /nfs/dbraw/zinc/95/86/90/1085958690.db2.gz ZQUGDWRAKPJNCE-CHWSQXEVSA-N 2 2 357.361 4.253 20 0 FIADLP C[C@@H]([NH2+]Cc1cscc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511913429 1085958692 /nfs/dbraw/zinc/95/86/92/1085958692.db2.gz ZQUGDWRAKPJNCE-CHWSQXEVSA-N 2 2 357.361 4.253 20 0 FIADLP c1cn(-c2ccccc2-c2noc([C@@H]3CC[C@@H](c4ccccc4)C[NH2+]3)n2)c[nH+]1 ZINC001211577026 1086613043 /nfs/dbraw/zinc/61/30/43/1086613043.db2.gz MKKKEBZKVSZPGX-MJGOQNOKSA-N 2 2 371.444 4.131 20 0 FIADLP c1cn(-c2ccc(-c3noc([C@@H]4CC[C@H](c5ccccc5)C[NH2+]4)n3)cc2)c[nH+]1 ZINC001211577611 1086617028 /nfs/dbraw/zinc/61/70/28/1086617028.db2.gz VYEXCTMBZAXGPF-ICSRJNTNSA-N 2 2 371.444 4.131 20 0 FIADLP COCC[NH+]1CCC([NH2+]Cc2c(Cl)cccc2Oc2ccccc2)CC1 ZINC001648931186 1086622960 /nfs/dbraw/zinc/62/29/60/1086622960.db2.gz VKUNBPYJASDFRQ-UHFFFAOYSA-N 2 2 374.912 4.333 20 0 FIADLP COc1cccc(C([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccc(OC)c2)c1 ZINC000166769295 1086725148 /nfs/dbraw/zinc/72/51/48/1086725148.db2.gz VMALNMCEJBZWQI-VQTJNVASSA-N 2 2 366.505 4.010 20 0 FIADLP COc1cccc(C([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccc(OC)c2)c1 ZINC000166769295 1086725156 /nfs/dbraw/zinc/72/51/56/1086725156.db2.gz VMALNMCEJBZWQI-VQTJNVASSA-N 2 2 366.505 4.010 20 0 FIADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245607540 1086804070 /nfs/dbraw/zinc/80/40/70/1086804070.db2.gz NNOHKUIPKGRMID-KPFFTGBYSA-N 2 2 368.525 4.225 20 0 FIADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245607540 1086804089 /nfs/dbraw/zinc/80/40/89/1086804089.db2.gz NNOHKUIPKGRMID-KPFFTGBYSA-N 2 2 368.525 4.225 20 0 FIADLP c1ccc(C[N@H+]2C[C@H](C[NH2+]Cc3nc4c(s3)CCC4)C3(CCC3)C2)cc1 ZINC000657772466 1086810666 /nfs/dbraw/zinc/81/06/66/1086810666.db2.gz NIVBBSKPRIISOM-SFHVURJKSA-N 2 2 367.562 4.024 20 0 FIADLP c1ccc(C[N@@H+]2C[C@H](C[NH2+]Cc3nc4c(s3)CCC4)C3(CCC3)C2)cc1 ZINC000657772466 1086810682 /nfs/dbraw/zinc/81/06/82/1086810682.db2.gz NIVBBSKPRIISOM-SFHVURJKSA-N 2 2 367.562 4.024 20 0 FIADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000647301353 1086866037 /nfs/dbraw/zinc/86/60/37/1086866037.db2.gz GFFJNPTXFOEVKF-PKTZIBPZSA-N 2 2 367.537 4.050 20 0 FIADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000647301353 1086866062 /nfs/dbraw/zinc/86/60/62/1086866062.db2.gz GFFJNPTXFOEVKF-PKTZIBPZSA-N 2 2 367.537 4.050 20 0 FIADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000318739411 1086905317 /nfs/dbraw/zinc/90/53/17/1086905317.db2.gz WADZPQVLGOMISE-PBHICJAKSA-N 2 2 364.331 4.281 20 0 FIADLP COc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1OC ZINC000151310833 1087084650 /nfs/dbraw/zinc/08/46/50/1087084650.db2.gz SESDUPHJOOMNRG-QGZVFWFLSA-N 2 2 365.477 4.108 20 0 FIADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CCS2 ZINC000151303544 1087085820 /nfs/dbraw/zinc/08/58/20/1087085820.db2.gz OJOOXPWVLXJBPN-IBGZPJMESA-N 2 2 353.466 4.397 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cnn(Cc2ccccc2)c1 ZINC000151349700 1087092450 /nfs/dbraw/zinc/09/24/50/1087092450.db2.gz YHOJTHYSUGFVIT-IBGZPJMESA-N 2 2 371.488 4.027 20 0 FIADLP CC[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)OCCO2 ZINC000151678371 1087199778 /nfs/dbraw/zinc/19/97/78/1087199778.db2.gz DBXTVHBGGDEMCU-JXFKEZNVSA-N 2 2 363.461 4.445 20 0 FIADLP CC[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)OCCO2 ZINC000151678634 1087200385 /nfs/dbraw/zinc/20/03/85/1087200385.db2.gz DBXTVHBGGDEMCU-OXQOHEQNSA-N 2 2 363.461 4.445 20 0 FIADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)CCO2 ZINC000584290954 1087250253 /nfs/dbraw/zinc/25/02/53/1087250253.db2.gz QTBHESLNFVARGX-TZIWHRDSSA-N 2 2 366.480 4.436 20 0 FIADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)CCO2 ZINC000584290954 1087250256 /nfs/dbraw/zinc/25/02/56/1087250256.db2.gz QTBHESLNFVARGX-TZIWHRDSSA-N 2 2 366.480 4.436 20 0 FIADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1-c1ccccc1 ZINC000080961611 1087288745 /nfs/dbraw/zinc/28/87/45/1087288745.db2.gz AQENHHQYQDGXHC-IBGZPJMESA-N 2 2 374.488 4.285 20 0 FIADLP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1-c1ccccc1 ZINC000080961611 1087288750 /nfs/dbraw/zinc/28/87/50/1087288750.db2.gz AQENHHQYQDGXHC-IBGZPJMESA-N 2 2 374.488 4.285 20 0 FIADLP c1cn(Cc2ccccc2C[NH2+]Cc2cnc(-c3ccsc3)s2)c[nH+]1 ZINC000084651360 1087356795 /nfs/dbraw/zinc/35/67/95/1087356795.db2.gz JISQCMCQMYPHHU-UHFFFAOYSA-N 2 2 366.515 4.406 20 0 FIADLP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000089697259 1087391325 /nfs/dbraw/zinc/39/13/25/1087391325.db2.gz DBFXAFNQJCBICB-MRXNPFEDSA-N 2 2 368.706 4.356 20 0 FIADLP Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCCn1cc[nH+]c1 ZINC000142498976 1087486212 /nfs/dbraw/zinc/48/62/12/1087486212.db2.gz LUMRXBUBAXNYNP-KRWDZBQOSA-N 2 2 373.298 4.184 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(C(F)F)nc1 ZINC000657933976 1087660746 /nfs/dbraw/zinc/66/07/46/1087660746.db2.gz ZKXSKXFFJSVHHJ-GJZGRUSLSA-N 2 2 360.452 4.290 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000225258336 1087691676 /nfs/dbraw/zinc/69/16/76/1087691676.db2.gz AJLCLPOCYLPDIK-UHFFFAOYSA-N 2 2 359.739 4.455 20 0 FIADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CC2 ZINC000134404997 1088037732 /nfs/dbraw/zinc/03/77/32/1088037732.db2.gz PWLOLYVBLCKFLH-ACJLOTCBSA-N 2 2 369.336 4.071 20 0 FIADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CC2 ZINC000134405020 1088038471 /nfs/dbraw/zinc/03/84/71/1088038471.db2.gz PWLOLYVBLCKFLH-FZKQIMNGSA-N 2 2 369.336 4.071 20 0 FIADLP Clc1ccc(Cl)c(-c2csc(C[NH2+]C[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000414836954 1088406083 /nfs/dbraw/zinc/40/60/83/1088406083.db2.gz VFFFKJUUHOVSQY-LLVKDONJSA-N 2 2 356.322 4.206 20 0 FIADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC(C)(C)c3cccs3)CC2)cc1 ZINC000169192196 1088795129 /nfs/dbraw/zinc/79/51/29/1088795129.db2.gz MROKWEIOOGXDBE-UHFFFAOYSA-N 2 2 357.567 4.350 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000468550922 1088933377 /nfs/dbraw/zinc/93/33/77/1088933377.db2.gz AZEBZVQLXMKMFB-OAHLLOKOSA-N 2 2 372.475 4.115 20 0 FIADLP FC(F)Oc1ccccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434671647 1088937129 /nfs/dbraw/zinc/93/71/29/1088937129.db2.gz JEWFBYNUNDREPG-UHFFFAOYSA-N 2 2 361.436 4.200 20 0 FIADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CCCc2ccc(F)cc21 ZINC000434726852 1088977108 /nfs/dbraw/zinc/97/71/08/1088977108.db2.gz CXLMRMUGOIXTFJ-BWAGFHJFSA-N 2 2 353.485 4.223 20 0 FIADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CCCc2ccc(F)cc21 ZINC000434726852 1088977112 /nfs/dbraw/zinc/97/71/12/1088977112.db2.gz CXLMRMUGOIXTFJ-BWAGFHJFSA-N 2 2 353.485 4.223 20 0 FIADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@@H]1CCCc2ccc(F)cc21 ZINC000434726852 1088977115 /nfs/dbraw/zinc/97/71/15/1088977115.db2.gz CXLMRMUGOIXTFJ-BWAGFHJFSA-N 2 2 353.485 4.223 20 0 FIADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@@H]1CCCc2ccc(F)cc21 ZINC000434726852 1088977118 /nfs/dbraw/zinc/97/71/18/1088977118.db2.gz CXLMRMUGOIXTFJ-BWAGFHJFSA-N 2 2 353.485 4.223 20 0 FIADLP COc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(Cl)c1 ZINC000434743691 1089014021 /nfs/dbraw/zinc/01/40/21/1089014021.db2.gz RFISDOZPKQXTPC-UHFFFAOYSA-N 2 2 359.901 4.261 20 0 FIADLP c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378911885 1089056709 /nfs/dbraw/zinc/05/67/09/1089056709.db2.gz JNJASUCDTCBVDO-CABCVRRESA-N 2 2 353.491 4.273 20 0 FIADLP c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378911885 1089056724 /nfs/dbraw/zinc/05/67/24/1089056724.db2.gz JNJASUCDTCBVDO-CABCVRRESA-N 2 2 353.491 4.273 20 0 FIADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000415059845 1089107763 /nfs/dbraw/zinc/10/77/63/1089107763.db2.gz ZNPDWFGMKNTPHZ-AWEZNQCLSA-N 2 2 368.344 4.036 20 0 FIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000415071632 1089132648 /nfs/dbraw/zinc/13/26/48/1089132648.db2.gz WVCQCWADAIPZSP-FQEVSTJZSA-N 2 2 368.912 4.093 20 0 FIADLP Fc1cc(Br)cc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415087519 1089146443 /nfs/dbraw/zinc/14/64/43/1089146443.db2.gz UUXFAPIDXYZTJA-ZWKOTPCHSA-N 2 2 363.274 4.171 20 0 FIADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163832900 1090015576 /nfs/dbraw/zinc/01/55/76/1090015576.db2.gz AAVOSOONHKNCND-AWEZNQCLSA-N 2 2 353.495 4.061 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(-c2ccccc2)n1 ZINC000584556988 1090127630 /nfs/dbraw/zinc/12/76/30/1090127630.db2.gz FSFQQNWCHBPIFD-UHFFFAOYSA-N 2 2 354.523 4.481 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(-c2ccccc2)n1 ZINC000584556988 1090127635 /nfs/dbraw/zinc/12/76/35/1090127635.db2.gz FSFQQNWCHBPIFD-UHFFFAOYSA-N 2 2 354.523 4.481 20 0 FIADLP C[N@@H+]1CC[C@@H]2CC[NH+](CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@H]2C1 ZINC000549402549 1090232735 /nfs/dbraw/zinc/23/27/35/1090232735.db2.gz DDPJXODTPNFWID-GCJKJVERSA-N 2 2 356.460 4.123 20 0 FIADLP C[N@H+]1CC[C@@H]2CC[NH+](CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@H]2C1 ZINC000549402549 1090232742 /nfs/dbraw/zinc/23/27/42/1090232742.db2.gz DDPJXODTPNFWID-GCJKJVERSA-N 2 2 356.460 4.123 20 0 FIADLP C[NH+]1CC[C@@H]2CC[N@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@H]2C1 ZINC000549402549 1090232747 /nfs/dbraw/zinc/23/27/47/1090232747.db2.gz DDPJXODTPNFWID-GCJKJVERSA-N 2 2 356.460 4.123 20 0 FIADLP C[NH+]1CC[C@@H]2CC[N@@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@H]2C1 ZINC000549402549 1090232753 /nfs/dbraw/zinc/23/27/53/1090232753.db2.gz DDPJXODTPNFWID-GCJKJVERSA-N 2 2 356.460 4.123 20 0 FIADLP COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)c21 ZINC000181335055 1090272424 /nfs/dbraw/zinc/27/24/24/1090272424.db2.gz VCSOPKBPDTVZHQ-INIZCTEOSA-N 2 2 360.461 4.256 20 0 FIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cnn(-c2ccccc2)c1 ZINC000312150474 1090323432 /nfs/dbraw/zinc/32/34/32/1090323432.db2.gz FXMYJASGTVULOM-LJQANCHMSA-N 2 2 360.505 4.188 20 0 FIADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000390572010 1091272672 /nfs/dbraw/zinc/27/26/72/1091272672.db2.gz OOUGTWAETNJVFX-IEBWSBKVSA-N 2 2 358.551 4.252 20 0 FIADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000390572010 1091272678 /nfs/dbraw/zinc/27/26/78/1091272678.db2.gz OOUGTWAETNJVFX-IEBWSBKVSA-N 2 2 358.551 4.252 20 0 FIADLP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000893359831 1091328523 /nfs/dbraw/zinc/32/85/23/1091328523.db2.gz ATQHZRDOZCYPSU-UHFFFAOYSA-N 2 2 362.499 4.082 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(F)ccc1OC(F)F ZINC000660417203 1091348032 /nfs/dbraw/zinc/34/80/32/1091348032.db2.gz VIUKWBKKZAFASC-UHFFFAOYSA-N 2 2 355.404 4.098 20 0 FIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(F)ccc1OC(F)F ZINC000660417203 1091348041 /nfs/dbraw/zinc/34/80/41/1091348041.db2.gz VIUKWBKKZAFASC-UHFFFAOYSA-N 2 2 355.404 4.098 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511751891 1091616349 /nfs/dbraw/zinc/61/63/49/1091616349.db2.gz BCQYLWAOANJNQM-SGNDLWITSA-N 2 2 373.500 4.185 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511751891 1091616352 /nfs/dbraw/zinc/61/63/52/1091616352.db2.gz BCQYLWAOANJNQM-SGNDLWITSA-N 2 2 373.500 4.185 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000512192294 1091851830 /nfs/dbraw/zinc/85/18/30/1091851830.db2.gz CVWFFFOOSLVLSR-TZIWHRDSSA-N 2 2 366.553 4.267 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000512192294 1091851834 /nfs/dbraw/zinc/85/18/34/1091851834.db2.gz CVWFFFOOSLVLSR-TZIWHRDSSA-N 2 2 366.553 4.267 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512192294 1091851845 /nfs/dbraw/zinc/85/18/45/1091851845.db2.gz CVWFFFOOSLVLSR-TZIWHRDSSA-N 2 2 366.553 4.267 20 0 FIADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512192294 1091851851 /nfs/dbraw/zinc/85/18/51/1091851851.db2.gz CVWFFFOOSLVLSR-TZIWHRDSSA-N 2 2 366.553 4.267 20 0 FIADLP CCCc1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)o1 ZINC000428217730 1092270136 /nfs/dbraw/zinc/27/01/36/1092270136.db2.gz KLQDXYGIXCRBJG-HSZRJFAPSA-N 2 2 367.537 4.424 20 0 FIADLP CCCc1nc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)o1 ZINC000428217730 1092270143 /nfs/dbraw/zinc/27/01/43/1092270143.db2.gz KLQDXYGIXCRBJG-HSZRJFAPSA-N 2 2 367.537 4.424 20 0 FIADLP CCCc1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)o1 ZINC000428217730 1092270154 /nfs/dbraw/zinc/27/01/54/1092270154.db2.gz KLQDXYGIXCRBJG-HSZRJFAPSA-N 2 2 367.537 4.424 20 0 FIADLP CCCc1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)o1 ZINC000428217730 1092270164 /nfs/dbraw/zinc/27/01/64/1092270164.db2.gz KLQDXYGIXCRBJG-HSZRJFAPSA-N 2 2 367.537 4.424 20 0 FIADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000520965586 1092390410 /nfs/dbraw/zinc/39/04/10/1092390410.db2.gz KCRFPIHPDBUXOB-CYBMUJFWSA-N 2 2 351.288 4.139 20 0 FIADLP C[NH+](C)Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1Cl ZINC000500787976 1092571098 /nfs/dbraw/zinc/57/10/98/1092571098.db2.gz PFULVXUCRHSSII-HXUWFJFHSA-N 2 2 371.912 4.005 20 0 FIADLP C[NH+](C)Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1Cl ZINC000500787976 1092571108 /nfs/dbraw/zinc/57/11/08/1092571108.db2.gz PFULVXUCRHSSII-HXUWFJFHSA-N 2 2 371.912 4.005 20 0 FIADLP COC(=O)c1cc([C@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)oc1C ZINC000432837729 1092586725 /nfs/dbraw/zinc/58/67/25/1092586725.db2.gz VOJJXIZNYBKZJH-XYJFISCASA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1cc([C@H](C)[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)oc1C ZINC000432837729 1092586730 /nfs/dbraw/zinc/58/67/30/1092586730.db2.gz VOJJXIZNYBKZJH-XYJFISCASA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1cc([C@H](C)[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)oc1C ZINC000432837729 1092586738 /nfs/dbraw/zinc/58/67/38/1092586738.db2.gz VOJJXIZNYBKZJH-XYJFISCASA-N 2 2 362.514 4.022 20 0 FIADLP COC(=O)c1cc([C@H](C)[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)oc1C ZINC000432837729 1092586751 /nfs/dbraw/zinc/58/67/51/1092586751.db2.gz VOJJXIZNYBKZJH-XYJFISCASA-N 2 2 362.514 4.022 20 0 FIADLP FC(F)(F)c1cccc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CCOCC2)c1 ZINC000366962787 1092693094 /nfs/dbraw/zinc/69/30/94/1092693094.db2.gz MVJCHBWHUHYAQS-GOSISDBHSA-N 2 2 367.415 4.050 20 0 FIADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)N(C)C ZINC000443002933 1092910839 /nfs/dbraw/zinc/91/08/39/1092910839.db2.gz UFDQOUPSAJYEOC-UZLBHIALSA-N 2 2 354.523 4.023 20 0 FIADLP Cc1cc(C(F)(F)F)cc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)[nH+]1 ZINC000663876316 1092985449 /nfs/dbraw/zinc/98/54/49/1092985449.db2.gz NTVAPTKMSVTZSP-CQSZACIVSA-N 2 2 364.415 4.326 20 0 FIADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152119796 1092998639 /nfs/dbraw/zinc/99/86/39/1092998639.db2.gz IETNTJRNEWPURT-OAHLLOKOSA-N 2 2 355.869 4.444 20 0 FIADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CCC(F)(F)CC1 ZINC000474047828 1093142343 /nfs/dbraw/zinc/14/23/43/1093142343.db2.gz XSPIBKSZKUXCGH-HNNXBMFYSA-N 2 2 366.500 4.238 20 0 FIADLP Cc1cccn2cc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)nc12 ZINC001168019704 1093190180 /nfs/dbraw/zinc/19/01/80/1093190180.db2.gz JMLONELZHJAZPN-CEQLMSFQSA-N 2 2 362.521 4.174 20 0 FIADLP Cc1cccn2cc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)nc12 ZINC001168019704 1093190184 /nfs/dbraw/zinc/19/01/84/1093190184.db2.gz JMLONELZHJAZPN-CEQLMSFQSA-N 2 2 362.521 4.174 20 0 FIADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cccc(O)c1Cl ZINC000645162165 1093328398 /nfs/dbraw/zinc/32/83/98/1093328398.db2.gz KAKCGLJMRNHNLI-HZPDHXFCSA-N 2 2 358.913 4.292 20 0 FIADLP C[C@@H]1CC([NH2+][C@H]2COc3ccc(F)cc32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168023366 1093355567 /nfs/dbraw/zinc/35/55/67/1093355567.db2.gz VTZOWBMSYLXUOO-ZOCZFRKYSA-N 2 2 354.469 4.290 20 0 FIADLP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419285159 1093434193 /nfs/dbraw/zinc/43/41/93/1093434193.db2.gz DGYYFZXGTWZJOY-IAGOWNOFSA-N 2 2 357.542 4.134 20 0 FIADLP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccco1 ZINC000513078917 1093780544 /nfs/dbraw/zinc/78/05/44/1093780544.db2.gz XNNNSPANOYARGD-BAGYTPMASA-N 2 2 369.553 4.305 20 0 FIADLP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccco1 ZINC000513078917 1093780555 /nfs/dbraw/zinc/78/05/55/1093780555.db2.gz XNNNSPANOYARGD-BAGYTPMASA-N 2 2 369.553 4.305 20 0 FIADLP C[N@H+](Cc1ccccc1OC(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513461900 1094140575 /nfs/dbraw/zinc/14/05/75/1094140575.db2.gz QZDVZWWHQVZCSA-UHFFFAOYSA-N 2 2 360.448 4.384 20 0 FIADLP C[N@@H+](Cc1ccccc1OC(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513461900 1094140578 /nfs/dbraw/zinc/14/05/78/1094140578.db2.gz QZDVZWWHQVZCSA-UHFFFAOYSA-N 2 2 360.448 4.384 20 0 FIADLP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000513488017 1094167007 /nfs/dbraw/zinc/16/70/07/1094167007.db2.gz NQCMKJQQMVBESW-NZQKXSOJSA-N 3 2 374.532 4.263 20 0 FIADLP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[N@H+]1Cc1ccccc1 ZINC000513488017 1094167010 /nfs/dbraw/zinc/16/70/10/1094167010.db2.gz NQCMKJQQMVBESW-NZQKXSOJSA-N 3 2 374.532 4.263 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513502966 1094175418 /nfs/dbraw/zinc/17/54/18/1094175418.db2.gz JLBKEXOLYOHCBE-UHFFFAOYSA-N 2 2 368.569 4.351 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513502966 1094175420 /nfs/dbraw/zinc/17/54/20/1094175420.db2.gz JLBKEXOLYOHCBE-UHFFFAOYSA-N 2 2 368.569 4.351 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc([C@H]3C[C@H]3C)o2)[C@@H]1c1cnn(C)c1 ZINC000434018599 1094240863 /nfs/dbraw/zinc/24/08/63/1094240863.db2.gz PYZAELMMTJFSEV-HBCLNWRISA-N 2 2 370.541 4.042 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc([C@H]3C[C@H]3C)o2)[C@@H]1c1cnn(C)c1 ZINC000434018599 1094240869 /nfs/dbraw/zinc/24/08/69/1094240869.db2.gz PYZAELMMTJFSEV-HBCLNWRISA-N 2 2 370.541 4.042 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc([C@H]3C[C@H]3C)o2)[C@@H]1c1cnn(C)c1 ZINC000434018599 1094240873 /nfs/dbraw/zinc/24/08/73/1094240873.db2.gz PYZAELMMTJFSEV-HBCLNWRISA-N 2 2 370.541 4.042 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc([C@H]3C[C@H]3C)o2)[C@@H]1c1cnn(C)c1 ZINC000434018599 1094240879 /nfs/dbraw/zinc/24/08/79/1094240879.db2.gz PYZAELMMTJFSEV-HBCLNWRISA-N 2 2 370.541 4.042 20 0 FIADLP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434006779 1094243701 /nfs/dbraw/zinc/24/37/01/1094243701.db2.gz DDGSWVVDWYYMJG-HKUYNNGSSA-N 2 2 363.427 4.225 20 0 FIADLP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434006779 1094243704 /nfs/dbraw/zinc/24/37/04/1094243704.db2.gz DDGSWVVDWYYMJG-HKUYNNGSSA-N 2 2 363.427 4.225 20 0 FIADLP C[NH+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434006779 1094243710 /nfs/dbraw/zinc/24/37/10/1094243710.db2.gz DDGSWVVDWYYMJG-HKUYNNGSSA-N 2 2 363.427 4.225 20 0 FIADLP C[NH+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434006779 1094243715 /nfs/dbraw/zinc/24/37/15/1094243715.db2.gz DDGSWVVDWYYMJG-HKUYNNGSSA-N 2 2 363.427 4.225 20 0 FIADLP CC(C)CCOc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000097393498 1094287174 /nfs/dbraw/zinc/28/71/74/1094287174.db2.gz UZTATBYZVTXAKV-UHFFFAOYSA-N 2 2 353.510 4.265 20 0 FIADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000513691253 1094314130 /nfs/dbraw/zinc/31/41/30/1094314130.db2.gz SUPSFQCBIIBNEM-INIZCTEOSA-N 2 2 355.432 4.321 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)[C@@H](C)c1nc3ccccc3s1)CCC2 ZINC000474814614 1094660150 /nfs/dbraw/zinc/66/01/50/1094660150.db2.gz XYJQGAVZKXFHSN-OAGGEKHMSA-N 2 2 354.523 4.460 20 0 FIADLP CC[N@H+](Cc1nc(-c2c(F)cccc2F)cs1)[C@H]1CCC[NH2+]CC1 ZINC000420309910 1094875696 /nfs/dbraw/zinc/87/56/96/1094875696.db2.gz LRJYYXSQCFSNFO-ZDUSSCGKSA-N 2 2 351.466 4.052 20 0 FIADLP CC[N@@H+](Cc1nc(-c2c(F)cccc2F)cs1)[C@H]1CCC[NH2+]CC1 ZINC000420309910 1094875714 /nfs/dbraw/zinc/87/57/14/1094875714.db2.gz LRJYYXSQCFSNFO-ZDUSSCGKSA-N 2 2 351.466 4.052 20 0 FIADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001307478362 1095062910 /nfs/dbraw/zinc/06/29/10/1095062910.db2.gz IUQRIBQNUFHXOR-INIZCTEOSA-N 2 2 351.332 4.065 20 0 FIADLP Cc1c(Br)cccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001307478362 1095062924 /nfs/dbraw/zinc/06/29/24/1095062924.db2.gz IUQRIBQNUFHXOR-INIZCTEOSA-N 2 2 351.332 4.065 20 0 FIADLP CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000420918461 1095162714 /nfs/dbraw/zinc/16/27/14/1095162714.db2.gz WGJQZHZQMZDHJJ-QGZVFWFLSA-N 2 2 373.566 4.039 20 0 FIADLP CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000420918461 1095162722 /nfs/dbraw/zinc/16/27/22/1095162722.db2.gz WGJQZHZQMZDHJJ-QGZVFWFLSA-N 2 2 373.566 4.039 20 0 FIADLP c1ccc([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CCC2)cc1 ZINC000420942470 1095205825 /nfs/dbraw/zinc/20/58/25/1095205825.db2.gz VONYPOYBCWNSSY-QHCPKHFHSA-N 2 2 350.506 4.150 20 0 FIADLP C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420976516 1095221842 /nfs/dbraw/zinc/22/18/42/1095221842.db2.gz QVOWZLCRHDISCY-FCEWJHQRSA-N 2 2 370.459 4.070 20 0 FIADLP C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420976516 1095221853 /nfs/dbraw/zinc/22/18/53/1095221853.db2.gz QVOWZLCRHDISCY-FCEWJHQRSA-N 2 2 370.459 4.070 20 0 FIADLP COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502324948 1095348933 /nfs/dbraw/zinc/34/89/33/1095348933.db2.gz GXJVJJJDMLUVAJ-AIADIJKESA-N 2 2 351.494 4.121 20 0 FIADLP COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502324950 1095350352 /nfs/dbraw/zinc/35/03/52/1095350352.db2.gz GXJVJJJDMLUVAJ-MBNRZODZSA-N 2 2 351.494 4.121 20 0 FIADLP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502313413 1095364420 /nfs/dbraw/zinc/36/44/20/1095364420.db2.gz BKKNJHACXBDTKM-OAHLLOKOSA-N 2 2 367.522 4.051 20 0 FIADLP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502313413 1095364428 /nfs/dbraw/zinc/36/44/28/1095364428.db2.gz BKKNJHACXBDTKM-OAHLLOKOSA-N 2 2 367.522 4.051 20 0 FIADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000443971452 1095398391 /nfs/dbraw/zinc/39/83/91/1095398391.db2.gz KIJKFAYXZUBURI-UHFFFAOYSA-N 2 2 369.456 4.225 20 0 FIADLP COCCC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000281599651 1095658644 /nfs/dbraw/zinc/65/86/44/1095658644.db2.gz AEMQMZZXDVMZID-HXUWFJFHSA-N 2 2 353.441 4.269 20 0 FIADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281952744 1095776241 /nfs/dbraw/zinc/77/62/41/1095776241.db2.gz FRFGAJNLIKLSGC-CVEARBPZSA-N 2 2 356.514 4.446 20 0 FIADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281952744 1095776256 /nfs/dbraw/zinc/77/62/56/1095776256.db2.gz FRFGAJNLIKLSGC-CVEARBPZSA-N 2 2 356.514 4.446 20 0 FIADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000421818722 1095952564 /nfs/dbraw/zinc/95/25/64/1095952564.db2.gz CDBYMQYCGZJENL-INIZCTEOSA-N 2 2 374.912 4.032 20 0 FIADLP CC(C)C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccn1 ZINC000272317775 1096172673 /nfs/dbraw/zinc/17/26/73/1096172673.db2.gz VHQGUBZEUICYFW-NRFANRHFSA-N 2 2 367.541 4.206 20 0 FIADLP c1csc(-c2nc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)co2)c1 ZINC000503408658 1096388499 /nfs/dbraw/zinc/38/84/99/1096388499.db2.gz ULFUTJPSZRNQQF-OAHLLOKOSA-N 2 2 368.506 4.316 20 0 FIADLP c1csc(-c2nc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)co2)c1 ZINC000503408658 1096388501 /nfs/dbraw/zinc/38/85/01/1096388501.db2.gz ULFUTJPSZRNQQF-OAHLLOKOSA-N 2 2 368.506 4.316 20 0 FIADLP c1csc(-c2nc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)co2)c1 ZINC000503408657 1096388695 /nfs/dbraw/zinc/38/86/95/1096388695.db2.gz ULFUTJPSZRNQQF-HNNXBMFYSA-N 2 2 368.506 4.316 20 0 FIADLP c1csc(-c2nc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)co2)c1 ZINC000503408657 1096388700 /nfs/dbraw/zinc/38/87/00/1096388700.db2.gz ULFUTJPSZRNQQF-HNNXBMFYSA-N 2 2 368.506 4.316 20 0 FIADLP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC1CCCC1 ZINC000422703111 1096458204 /nfs/dbraw/zinc/45/82/04/1096458204.db2.gz HCQLXOQBNWCBQF-UXHICEINSA-N 2 2 352.478 4.251 20 0 FIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)[C@H](C)C1 ZINC000503551384 1096467778 /nfs/dbraw/zinc/46/77/78/1096467778.db2.gz MDUNUYHCGJEMRK-WIYYLYMNSA-N 2 2 372.509 4.299 20 0 FIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)[C@H](C)C1 ZINC000503551384 1096467780 /nfs/dbraw/zinc/46/77/80/1096467780.db2.gz MDUNUYHCGJEMRK-WIYYLYMNSA-N 2 2 372.509 4.299 20 0 FIADLP [NH3+][C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000422778906 1096489289 /nfs/dbraw/zinc/48/92/89/1096489289.db2.gz FGMKEJRPCHZNAT-SFTDATJTSA-N 2 2 355.913 4.039 20 0 FIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000423114743 1096576251 /nfs/dbraw/zinc/57/62/51/1096576251.db2.gz WFEMXUPTHNBART-FGTMMUONSA-N 2 2 351.277 4.151 20 0 FIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000423114745 1096576676 /nfs/dbraw/zinc/57/66/76/1096576676.db2.gz WFEMXUPTHNBART-KZNAEPCWSA-N 2 2 351.277 4.151 20 0 FIADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1csc(-c2ccccc2F)n1 ZINC000423187318 1096609833 /nfs/dbraw/zinc/60/98/33/1096609833.db2.gz MJHKGBZMJMDMGS-OAHLLOKOSA-N 2 2 370.497 4.175 20 0 FIADLP CSc1cccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccc(F)c(F)c2)c1 ZINC000423217713 1096620613 /nfs/dbraw/zinc/62/06/13/1096620613.db2.gz UKTAZMRJPGZTHW-XOBRGWDASA-N 2 2 362.489 4.365 20 0 FIADLP Brc1ccccc1[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000423220373 1096620750 /nfs/dbraw/zinc/62/07/50/1096620750.db2.gz YHPXCCNJQQXFPZ-BEFAXECRSA-N 2 2 359.311 4.128 20 0 FIADLP C[C@@H]([NH3+])c1ccc(NC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000414757964 1096756567 /nfs/dbraw/zinc/75/65/67/1096756567.db2.gz XRRRQLMJIVVDMS-UONOGXRCSA-N 2 2 373.526 4.039 20 0 FIADLP C[C@@H]([NH3+])c1ccc(NC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000414757964 1096756569 /nfs/dbraw/zinc/75/65/69/1096756569.db2.gz XRRRQLMJIVVDMS-UONOGXRCSA-N 2 2 373.526 4.039 20 0 FIADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc2ccccc2c1OC(F)F ZINC000515530180 1098668805 /nfs/dbraw/zinc/66/88/05/1098668805.db2.gz VZALYEDERYUZGE-GXTWGEPZSA-N 2 2 357.404 4.372 20 0 FIADLP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000436056240 1098681745 /nfs/dbraw/zinc/68/17/45/1098681745.db2.gz SHVRXDGYWQIURJ-UONOGXRCSA-N 2 2 367.921 4.417 20 0 FIADLP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000436056240 1098681759 /nfs/dbraw/zinc/68/17/59/1098681759.db2.gz SHVRXDGYWQIURJ-UONOGXRCSA-N 2 2 367.921 4.417 20 0 FIADLP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000533289666 1098939017 /nfs/dbraw/zinc/93/90/17/1098939017.db2.gz USSQPTZBYCEAQK-INIZCTEOSA-N 2 2 372.534 4.138 20 0 FIADLP COC(=O)c1sc2ccccc2c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000533289666 1098939022 /nfs/dbraw/zinc/93/90/22/1098939022.db2.gz USSQPTZBYCEAQK-INIZCTEOSA-N 2 2 372.534 4.138 20 0 FIADLP CSc1ccc([C@@H](CNC(=O)Nc2c(C)cc(C)[nH+]c2C)[NH+](C)C)cc1 ZINC000455533225 1099306508 /nfs/dbraw/zinc/30/65/08/1099306508.db2.gz TZMBGWXVDZSJIO-GOSISDBHSA-N 2 2 372.538 4.153 20 0 FIADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1Cl ZINC000437007282 1099511325 /nfs/dbraw/zinc/51/13/25/1099511325.db2.gz JLNWXHUKCQFBCF-WFASDCNBSA-N 2 2 368.706 4.355 20 0 FIADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000261713726 1099643411 /nfs/dbraw/zinc/64/34/11/1099643411.db2.gz IVLTZFKORKLRCN-INIZCTEOSA-N 2 2 356.322 4.288 20 0 FIADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000261713726 1099643422 /nfs/dbraw/zinc/64/34/22/1099643422.db2.gz IVLTZFKORKLRCN-INIZCTEOSA-N 2 2 356.322 4.288 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccsc3)C2)CC1 ZINC000437703799 1100112720 /nfs/dbraw/zinc/11/27/20/1100112720.db2.gz WRWRJWWLQZPMQM-KRWDZBQOSA-N 2 2 358.555 4.082 20 0 FIADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccsc3)C2)CC1 ZINC000437703799 1100112726 /nfs/dbraw/zinc/11/27/26/1100112726.db2.gz WRWRJWWLQZPMQM-KRWDZBQOSA-N 2 2 358.555 4.082 20 0 FIADLP CC[N@@H+](Cc1ccc(OC)c(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000536668900 1100149084 /nfs/dbraw/zinc/14/90/84/1100149084.db2.gz IWFZNZNTYPBEJK-UHFFFAOYSA-N 2 2 353.510 4.137 20 0 FIADLP CC[N@H+](Cc1ccc(OC)c(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000536668900 1100149092 /nfs/dbraw/zinc/14/90/92/1100149092.db2.gz IWFZNZNTYPBEJK-UHFFFAOYSA-N 2 2 353.510 4.137 20 0 FIADLP CCn1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c2ccccc21 ZINC000379621831 1100223724 /nfs/dbraw/zinc/22/37/24/1100223724.db2.gz FWSAYGOVMMMLCT-ICSRJNTNSA-N 2 2 362.521 4.199 20 0 FIADLP CCn1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c2ccccc21 ZINC000379621831 1100223739 /nfs/dbraw/zinc/22/37/39/1100223739.db2.gz FWSAYGOVMMMLCT-ICSRJNTNSA-N 2 2 362.521 4.199 20 0 FIADLP CCOc1cc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)ccc1O ZINC000459548517 1100294780 /nfs/dbraw/zinc/29/47/80/1100294780.db2.gz AUAKNLXUXMHDDZ-DENIHFKCSA-N 2 2 363.461 4.006 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000536860828 1100378094 /nfs/dbraw/zinc/37/80/94/1100378094.db2.gz AMANJCXCVQNZAW-GHTZIAJQSA-N 2 2 355.551 4.064 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000536860828 1100378101 /nfs/dbraw/zinc/37/81/01/1100378101.db2.gz AMANJCXCVQNZAW-GHTZIAJQSA-N 2 2 355.551 4.064 20 0 FIADLP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506368762 1100932775 /nfs/dbraw/zinc/93/27/75/1100932775.db2.gz JEULKVNKSFOAJM-UHFFFAOYSA-N 2 2 354.542 4.300 20 0 FIADLP CC(C)c1nn(-c2ccccc2)cc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506368762 1100932776 /nfs/dbraw/zinc/93/27/76/1100932776.db2.gz JEULKVNKSFOAJM-UHFFFAOYSA-N 2 2 354.542 4.300 20 0 FIADLP c1ccc(C[NH+]2CCCCC2)c(CNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000518351283 1101113472 /nfs/dbraw/zinc/11/34/72/1101113472.db2.gz ROQMZOQJTQWLSF-UHFFFAOYSA-N 2 2 365.525 4.065 20 0 FIADLP c1ccc(C[NH+]2CCCCC2)c(CNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000518351283 1101113491 /nfs/dbraw/zinc/11/34/91/1101113491.db2.gz ROQMZOQJTQWLSF-UHFFFAOYSA-N 2 2 365.525 4.065 20 0 FIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760156818 1101458339 /nfs/dbraw/zinc/45/83/39/1101458339.db2.gz OBGFDYQLDZLODQ-GFCCVEGCSA-N 2 2 365.308 4.290 20 0 FIADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)C2)cc1 ZINC000428533911 1101549249 /nfs/dbraw/zinc/54/92/49/1101549249.db2.gz JEGSJPOEMYORHG-WXFUMESZSA-N 2 2 364.533 4.203 20 0 FIADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)C2)cc1 ZINC000428533911 1101549251 /nfs/dbraw/zinc/54/92/51/1101549251.db2.gz JEGSJPOEMYORHG-WXFUMESZSA-N 2 2 364.533 4.203 20 0 FIADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(-c3cccc(F)c3)s2)C[C@@H](C)O1 ZINC000509610688 1101560643 /nfs/dbraw/zinc/56/06/43/1101560643.db2.gz XFILMWDZZJWEIQ-HZPDHXFCSA-N 2 2 362.514 4.143 20 0 FIADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2Br)CC1 ZINC000537294568 1101614870 /nfs/dbraw/zinc/61/48/70/1101614870.db2.gz COWMQBSRGDBGSC-AWEZNQCLSA-N 2 2 369.347 4.373 20 0 FIADLP CCO[C@@H]1C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1(CC)CC ZINC000537296564 1101618982 /nfs/dbraw/zinc/61/89/82/1101618982.db2.gz VGZFEHLOQQGLBS-VQTJNVASSA-N 2 2 355.526 4.047 20 0 FIADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001168167481 1101812055 /nfs/dbraw/zinc/81/20/55/1101812055.db2.gz PACVMPMZXNNQHV-MRXNPFEDSA-N 2 2 358.913 4.231 20 0 FIADLP Cc1cc([C@@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)C2CC2)ccc1F ZINC000537455587 1101818038 /nfs/dbraw/zinc/81/80/38/1101818038.db2.gz GHSWLTOOYHQYOO-KNQAVFIVSA-N 2 2 368.500 4.233 20 0 FIADLP C[C@H]1C[C@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c2ccsc2S1 ZINC000537456810 1101823273 /nfs/dbraw/zinc/82/32/73/1101823273.db2.gz YWGAECMRNSUAHT-QRTARXTBSA-N 2 2 374.579 4.321 20 0 FIADLP C[C@H]1C[C@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c2ccsc2S1 ZINC000537456809 1101823420 /nfs/dbraw/zinc/82/34/20/1101823420.db2.gz YWGAECMRNSUAHT-LXZKKBNFSA-N 2 2 374.579 4.321 20 0 FIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](c3ccc(Cl)cc3)C3CC3)[nH+]c2)C1 ZINC000537456475 1101826243 /nfs/dbraw/zinc/82/62/43/1101826243.db2.gz RFJSBJWKYSIRKO-CTNGQTDRSA-N 2 2 370.928 4.439 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000398045937 1101962885 /nfs/dbraw/zinc/96/28/85/1101962885.db2.gz VRGBJGLGWVERFD-AEFFLSMTSA-N 2 2 351.519 4.297 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000398045937 1101962887 /nfs/dbraw/zinc/96/28/87/1101962887.db2.gz VRGBJGLGWVERFD-AEFFLSMTSA-N 2 2 351.519 4.297 20 0 FIADLP CC(C)[C@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000519257606 1102036199 /nfs/dbraw/zinc/03/61/99/1102036199.db2.gz UMPQZMGUFAYIOD-KOENEWCDSA-N 2 2 356.554 4.151 20 0 FIADLP CC(C)[C@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000519257606 1102036217 /nfs/dbraw/zinc/03/62/17/1102036217.db2.gz UMPQZMGUFAYIOD-KOENEWCDSA-N 2 2 356.554 4.151 20 0 FIADLP Clc1cc(Br)ccc1[C@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000187694519 1102297612 /nfs/dbraw/zinc/29/76/12/1102297612.db2.gz KJDYQGCXSYLFTB-OAHLLOKOSA-N 2 2 354.679 4.040 20 0 FIADLP c1cn(-c2ccccc2-c2noc([C@H]3CCC[NH2+][C@@H]3c3ccccc3)n2)c[nH+]1 ZINC001211849385 1102311968 /nfs/dbraw/zinc/31/19/68/1102311968.db2.gz SESFXDSBMXMHEC-AZUAARDMSA-N 2 2 371.444 4.131 20 0 FIADLP c1cn(CCCC[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)c[nH+]1 ZINC000532448985 1102335256 /nfs/dbraw/zinc/33/52/56/1102335256.db2.gz KUPIVUNIHSAYOZ-KRWDZBQOSA-N 2 2 352.507 4.454 20 0 FIADLP COCC[N@H+](C1CCC(c2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC001168342903 1102356077 /nfs/dbraw/zinc/35/60/77/1102356077.db2.gz AAMWLPVBUCDGCP-UHFFFAOYSA-N 2 2 364.961 4.409 20 0 FIADLP COCC[N@@H+](C1CCC(c2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC001168342903 1102356087 /nfs/dbraw/zinc/35/60/87/1102356087.db2.gz AAMWLPVBUCDGCP-UHFFFAOYSA-N 2 2 364.961 4.409 20 0 FIADLP Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000101545188 1102542858 /nfs/dbraw/zinc/54/28/58/1102542858.db2.gz LSLSKBMBLOEUHJ-UHFFFAOYSA-N 2 2 359.473 4.276 20 0 FIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000550891782 1102663133 /nfs/dbraw/zinc/66/31/33/1102663133.db2.gz NUVMSTJONWWVSA-FGZHOGPDSA-N 2 2 368.521 4.069 20 0 FIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000550891782 1102663137 /nfs/dbraw/zinc/66/31/37/1102663137.db2.gz NUVMSTJONWWVSA-FGZHOGPDSA-N 2 2 368.521 4.069 20 0 FIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000550891786 1102663616 /nfs/dbraw/zinc/66/36/16/1102663616.db2.gz NUVMSTJONWWVSA-YADHBBJMSA-N 2 2 368.521 4.069 20 0 FIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000550891786 1102663622 /nfs/dbraw/zinc/66/36/22/1102663622.db2.gz NUVMSTJONWWVSA-YADHBBJMSA-N 2 2 368.521 4.069 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cn1 ZINC000126335483 1102703313 /nfs/dbraw/zinc/70/33/13/1102703313.db2.gz YXNXTXGGICHQFT-GOSISDBHSA-N 2 2 368.868 4.233 20 0 FIADLP Cc1nc([C@@H](C)[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000664839365 1102736089 /nfs/dbraw/zinc/73/60/89/1102736089.db2.gz YKNQGOAOYVYUPI-OXQOHEQNSA-N 2 2 368.525 4.062 20 0 FIADLP Cc1nc([C@@H](C)[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000664839365 1102736092 /nfs/dbraw/zinc/73/60/92/1102736092.db2.gz YKNQGOAOYVYUPI-OXQOHEQNSA-N 2 2 368.525 4.062 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000123045348 1102757209 /nfs/dbraw/zinc/75/72/09/1102757209.db2.gz RZFVXYRDCNGSHV-LJQANCHMSA-N 3 2 360.505 4.319 20 0 FIADLP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551005561 1102772823 /nfs/dbraw/zinc/77/28/23/1102772823.db2.gz JTIHICRRAXOZFI-IFMALSPDSA-N 2 2 365.521 4.350 20 0 FIADLP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551005561 1102772833 /nfs/dbraw/zinc/77/28/33/1102772833.db2.gz JTIHICRRAXOZFI-IFMALSPDSA-N 2 2 365.521 4.350 20 0 FIADLP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551005563 1102773137 /nfs/dbraw/zinc/77/31/37/1102773137.db2.gz JTIHICRRAXOZFI-RBBKRZOGSA-N 2 2 365.521 4.350 20 0 FIADLP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551005563 1102773143 /nfs/dbraw/zinc/77/31/43/1102773143.db2.gz JTIHICRRAXOZFI-RBBKRZOGSA-N 2 2 365.521 4.350 20 0 FIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1CCC(F)(F)CC1 ZINC000459361964 1102922209 /nfs/dbraw/zinc/92/22/09/1102922209.db2.gz TUUWIGHDMIMETC-UHFFFAOYSA-N 2 2 351.485 4.445 20 0 FIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1CCC(F)(F)CC1 ZINC000459361964 1102922215 /nfs/dbraw/zinc/92/22/15/1102922215.db2.gz TUUWIGHDMIMETC-UHFFFAOYSA-N 2 2 351.485 4.445 20 0 FIADLP FC(F)(F)Oc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000537697498 1102980070 /nfs/dbraw/zinc/98/00/70/1102980070.db2.gz RTRVDCGJIMJCJF-PBHICJAKSA-N 2 2 354.416 4.034 20 0 FIADLP FC(F)(F)Oc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000537697498 1102980079 /nfs/dbraw/zinc/98/00/79/1102980079.db2.gz RTRVDCGJIMJCJF-PBHICJAKSA-N 2 2 354.416 4.034 20 0 FIADLP FC(F)(F)Oc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000537697498 1102980083 /nfs/dbraw/zinc/98/00/83/1102980083.db2.gz RTRVDCGJIMJCJF-PBHICJAKSA-N 2 2 354.416 4.034 20 0 FIADLP FC(F)(F)Oc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000537697498 1102980093 /nfs/dbraw/zinc/98/00/93/1102980093.db2.gz RTRVDCGJIMJCJF-PBHICJAKSA-N 2 2 354.416 4.034 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000551311546 1103089259 /nfs/dbraw/zinc/08/92/59/1103089259.db2.gz ZSFZFPLPEQFMRX-SXKCCIOGSA-N 2 2 369.940 4.481 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000551311546 1103089280 /nfs/dbraw/zinc/08/92/80/1103089280.db2.gz ZSFZFPLPEQFMRX-SXKCCIOGSA-N 2 2 369.940 4.481 20 0 FIADLP Clc1cccc([C@@H]2CCC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)c1 ZINC000655775454 1103224622 /nfs/dbraw/zinc/22/46/22/1103224622.db2.gz XXSHCRIGDXFJLI-UIFIKXQLSA-N 2 2 362.945 4.209 20 0 FIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000507461884 1103407429 /nfs/dbraw/zinc/40/74/29/1103407429.db2.gz NGNNPJYBADPYPS-JSGCOSHPSA-N 2 2 360.386 4.362 20 0 FIADLP C[C@@]1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCCc2ccccc21 ZINC000507508323 1103450368 /nfs/dbraw/zinc/45/03/68/1103450368.db2.gz JLRMTAYCIXSDGD-IBGZPJMESA-N 2 2 354.460 4.287 20 0 FIADLP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1Cl ZINC000551818488 1103677601 /nfs/dbraw/zinc/67/76/01/1103677601.db2.gz UXZRDAIBBGSKFM-OXJNMPFZSA-N 2 2 373.928 4.134 20 0 FIADLP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1Cl ZINC000551818488 1103677610 /nfs/dbraw/zinc/67/76/10/1103677610.db2.gz UXZRDAIBBGSKFM-OXJNMPFZSA-N 2 2 373.928 4.134 20 0 FIADLP CC[N@H+](CCC1CC[NH+](Cc2noc(-c3ccsc3)n2)CC1)CC1CC1 ZINC000537845337 1103967724 /nfs/dbraw/zinc/96/77/24/1103967724.db2.gz DDWBMKJDYVGKIF-UHFFFAOYSA-N 2 2 374.554 4.132 20 0 FIADLP CC[N@@H+](CCC1CC[NH+](Cc2noc(-c3ccsc3)n2)CC1)CC1CC1 ZINC000537845337 1103967725 /nfs/dbraw/zinc/96/77/25/1103967725.db2.gz DDWBMKJDYVGKIF-UHFFFAOYSA-N 2 2 374.554 4.132 20 0 FIADLP Brc1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cs1 ZINC000520206812 1104172519 /nfs/dbraw/zinc/17/25/19/1104172519.db2.gz PESGBNVERJKLKM-UHFFFAOYSA-N 2 2 365.340 4.049 20 0 FIADLP Brc1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cs1 ZINC000520206812 1104172527 /nfs/dbraw/zinc/17/25/27/1104172527.db2.gz PESGBNVERJKLKM-UHFFFAOYSA-N 2 2 365.340 4.049 20 0 FIADLP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000441405361 1104346753 /nfs/dbraw/zinc/34/67/53/1104346753.db2.gz VKXFBLYMBIKMQA-AZUAARDMSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1ccc(-c2cnc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000441405361 1104346765 /nfs/dbraw/zinc/34/67/65/1104346765.db2.gz VKXFBLYMBIKMQA-AZUAARDMSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1ccc(-c2cnc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000441405361 1104346776 /nfs/dbraw/zinc/34/67/76/1104346776.db2.gz VKXFBLYMBIKMQA-AZUAARDMSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1ccc(-c2cnc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000441405361 1104346788 /nfs/dbraw/zinc/34/67/88/1104346788.db2.gz VKXFBLYMBIKMQA-AZUAARDMSA-N 2 2 351.494 4.099 20 0 FIADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000536303341 1104639077 /nfs/dbraw/zinc/63/90/77/1104639077.db2.gz YQRHZHKGJXJXBB-SUMWQHHRSA-N 2 2 369.322 4.286 20 0 FIADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000536303341 1104639083 /nfs/dbraw/zinc/63/90/83/1104639083.db2.gz YQRHZHKGJXJXBB-SUMWQHHRSA-N 2 2 369.322 4.286 20 0 FIADLP C[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188602987 1104744129 /nfs/dbraw/zinc/74/41/29/1104744129.db2.gz KFEYQCPOUQRJDM-QILLFSRXSA-N 2 2 367.415 4.007 20 0 FIADLP C[N@H+](C1CC[NH+](C2CCCCC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001803 1104945640 /nfs/dbraw/zinc/94/56/40/1104945640.db2.gz HYKULEFZCFBINS-AIZNXBIQSA-N 3 2 359.602 4.121 20 0 FIADLP C[N@@H+](C1CC[NH+](C2CCCCC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001803 1104945644 /nfs/dbraw/zinc/94/56/44/1104945644.db2.gz HYKULEFZCFBINS-AIZNXBIQSA-N 3 2 359.602 4.121 20 0 FIADLP C[NH+](C1CC[NH+](C2CCCCC2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168001803 1104945646 /nfs/dbraw/zinc/94/56/46/1104945646.db2.gz HYKULEFZCFBINS-AIZNXBIQSA-N 3 2 359.602 4.121 20 0 FIADLP C[NH+](C1CC[NH+](C2CCCCC2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168001803 1104945649 /nfs/dbraw/zinc/94/56/49/1104945649.db2.gz HYKULEFZCFBINS-AIZNXBIQSA-N 3 2 359.602 4.121 20 0 FIADLP c1cn(-c2ccc(-c3noc([C@H]4[NH2+]CCC[C@@H]4c4ccccc4)n3)cc2)c[nH+]1 ZINC001211870476 1105047318 /nfs/dbraw/zinc/04/73/18/1105047318.db2.gz QWBVHCLCGUFVQP-UXHICEINSA-N 2 2 371.444 4.131 20 0 FIADLP C[C@@H]1CC([NH2+]Cc2nc3ccccc3n2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008214 1105179404 /nfs/dbraw/zinc/17/94/04/1105179404.db2.gz DELMVLJMLCKWHN-QZTJIDSGSA-N 2 2 362.521 4.105 20 0 FIADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2cc(Br)ccc2o1 ZINC000427845501 1105293125 /nfs/dbraw/zinc/29/31/25/1105293125.db2.gz FKORHFBEFUCXRW-FZMZJTMJSA-N 2 2 360.255 4.057 20 0 FIADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2cc(Br)ccc2o1 ZINC000427845486 1105293132 /nfs/dbraw/zinc/29/31/32/1105293132.db2.gz FKORHFBEFUCXRW-BXUZGUMPSA-N 2 2 360.255 4.057 20 0 FIADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000427847352 1105293841 /nfs/dbraw/zinc/29/38/41/1105293841.db2.gz KBGZJWOKLQAJDQ-KXBFYZLASA-N 2 2 374.960 4.359 20 0 FIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427872508 1105306502 /nfs/dbraw/zinc/30/65/02/1105306502.db2.gz MKRGFSKWTWSOCZ-LRDDRELGSA-N 2 2 356.470 4.120 20 0 FIADLP C[NH+](C)C1CC[NH+](Cc2cccc(OCCCc3ccccc3)c2)CC1 ZINC000508037382 1105309334 /nfs/dbraw/zinc/30/93/34/1105309334.db2.gz IQENIIXRTFZSDV-UHFFFAOYSA-N 2 2 352.522 4.224 20 0 FIADLP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000427883874 1105310067 /nfs/dbraw/zinc/31/00/67/1105310067.db2.gz DSCRGTHYAQVZBA-UGKGYDQZSA-N 2 2 354.542 4.039 20 0 FIADLP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)n1 ZINC000427883874 1105310073 /nfs/dbraw/zinc/31/00/73/1105310073.db2.gz DSCRGTHYAQVZBA-UGKGYDQZSA-N 2 2 354.542 4.039 20 0 FIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C[C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000475351713 1106742015 /nfs/dbraw/zinc/74/20/15/1106742015.db2.gz AVTIMELVHMTOBU-GWFLUQINSA-N 2 2 352.444 4.185 20 0 FIADLP CSc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390696290 1106752715 /nfs/dbraw/zinc/75/27/15/1106752715.db2.gz RPWLRPICABKNOB-NQIIRXRSSA-N 2 2 370.562 4.350 20 0 FIADLP CSc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390696290 1106752731 /nfs/dbraw/zinc/75/27/31/1106752731.db2.gz RPWLRPICABKNOB-NQIIRXRSSA-N 2 2 370.562 4.350 20 0 FIADLP Cc1nc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c(C)[nH+]1 ZINC000301876458 1107194772 /nfs/dbraw/zinc/19/47/72/1107194772.db2.gz KKTWXAZWZVDRRX-YJBOKZPZSA-N 2 2 362.880 4.299 20 0 FIADLP Cc1nc(NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c(C)[nH+]1 ZINC000301876458 1107194777 /nfs/dbraw/zinc/19/47/77/1107194777.db2.gz KKTWXAZWZVDRRX-YJBOKZPZSA-N 2 2 362.880 4.299 20 0 FIADLP CCCCOc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1OCC ZINC000475548194 1107708066 /nfs/dbraw/zinc/70/80/66/1107708066.db2.gz BEDQCGRWWGQHIY-UHFFFAOYSA-N 2 2 360.542 4.371 20 0 FIADLP CSc1cc(Br)ccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475568314 1107756909 /nfs/dbraw/zinc/75/69/09/1107756909.db2.gz USXVAYGHKVOBMU-UHFFFAOYSA-N 2 2 369.372 4.278 20 0 FIADLP COc1ccccc1C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C(C)C ZINC000531685628 1108072395 /nfs/dbraw/zinc/07/23/95/1108072395.db2.gz BXFRWRWHRUJEGJ-QFIPXVFZSA-N 2 2 363.505 4.297 20 0 FIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1sccc1Br ZINC000531709902 1108088655 /nfs/dbraw/zinc/08/86/55/1108088655.db2.gz BTJXHVBRBSMBBZ-GFCCVEGCSA-N 2 2 354.317 4.449 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCCC2 ZINC000453194193 1108263191 /nfs/dbraw/zinc/26/31/91/1108263191.db2.gz ASZDBSYRLLSYGP-NVXWUHKLSA-N 2 2 360.299 4.018 20 0 FIADLP C[C@@H](CCCc1cccnc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000453209595 1108279928 /nfs/dbraw/zinc/27/99/28/1108279928.db2.gz DKGSMULBODHVOF-MNNVXMFVSA-N 2 2 369.475 4.188 20 0 FIADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)c1ccc2c(c1)COC2 ZINC000453235469 1108309624 /nfs/dbraw/zinc/30/96/24/1108309624.db2.gz LYSZYSZTUQGRER-AWEZNQCLSA-N 2 2 353.853 4.407 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCC[C@H]1c1ccccc1 ZINC000453268930 1108345899 /nfs/dbraw/zinc/34/58/99/1108345899.db2.gz OVCHOCGCGVOMRR-ZXMXYHOLSA-N 2 2 363.549 4.466 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCC[C@H]1c1ccccc1 ZINC000453268930 1108345915 /nfs/dbraw/zinc/34/59/15/1108345915.db2.gz OVCHOCGCGVOMRR-ZXMXYHOLSA-N 2 2 363.549 4.466 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3cccc(C)c3)CC2)cc1 ZINC000453321360 1108412283 /nfs/dbraw/zinc/41/22/83/1108412283.db2.gz GVTHUZZTFYTKTG-SFHVURJKSA-N 2 2 365.521 4.269 20 0 FIADLP Cc1cc(NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)nc(C2CC2)[nH+]1 ZINC000523874334 1108622796 /nfs/dbraw/zinc/62/27/96/1108622796.db2.gz IJYKSSIBCZVBOS-KRWDZBQOSA-N 2 2 350.510 4.071 20 0 FIADLP Cc1cc(NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)nc(C2CC2)[nH+]1 ZINC000523874334 1108622801 /nfs/dbraw/zinc/62/28/01/1108622801.db2.gz IJYKSSIBCZVBOS-KRWDZBQOSA-N 2 2 350.510 4.071 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1)CCC2 ZINC000532243104 1108734457 /nfs/dbraw/zinc/73/44/57/1108734457.db2.gz HNRCBENPJHKOOW-GDBMZVCRSA-N 2 2 374.916 4.038 20 0 FIADLP C[C@@H](CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000193815050 1108796335 /nfs/dbraw/zinc/79/63/35/1108796335.db2.gz BYKFZEYEBZFBRG-FQEVSTJZSA-N 2 2 351.538 4.214 20 0 FIADLP C[C@@H](CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000193815050 1108796341 /nfs/dbraw/zinc/79/63/41/1108796341.db2.gz BYKFZEYEBZFBRG-FQEVSTJZSA-N 2 2 351.538 4.214 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1F)CCC2 ZINC000446823068 1109350253 /nfs/dbraw/zinc/35/02/53/1109350253.db2.gz IHDCRQMKYPESNU-STQMWFEESA-N 2 2 366.278 4.321 20 0 FIADLP CCCOc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)ccc1OC ZINC000447079164 1109429650 /nfs/dbraw/zinc/42/96/50/1109429650.db2.gz UDVWEIWAHOBZOC-UHFFFAOYSA-N 2 2 370.493 4.231 20 0 FIADLP CC(C)[NH+](Cc1cccs1)CC(O)C[N@H+](Cc1cccs1)C(C)C ZINC000447161514 1109463135 /nfs/dbraw/zinc/46/31/35/1109463135.db2.gz ZNCPAXZFBZZKMO-UHFFFAOYSA-N 2 2 366.596 4.292 20 0 FIADLP CC(C)[NH+](Cc1cccs1)CC(O)C[N@@H+](Cc1cccs1)C(C)C ZINC000447161514 1109463137 /nfs/dbraw/zinc/46/31/37/1109463137.db2.gz ZNCPAXZFBZZKMO-UHFFFAOYSA-N 2 2 366.596 4.292 20 0 FIADLP C[N@@H+](Cc1ccccc1OC(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525781012 1109516625 /nfs/dbraw/zinc/51/66/25/1109516625.db2.gz GCGVTPKXFXPQCZ-GOSISDBHSA-N 2 2 360.448 4.242 20 0 FIADLP C[N@H+](Cc1ccccc1OC(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525781012 1109516627 /nfs/dbraw/zinc/51/66/27/1109516627.db2.gz GCGVTPKXFXPQCZ-GOSISDBHSA-N 2 2 360.448 4.242 20 0 FIADLP C[NH+](Cc1ccccc1OC(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525781012 1109516630 /nfs/dbraw/zinc/51/66/30/1109516630.db2.gz GCGVTPKXFXPQCZ-GOSISDBHSA-N 2 2 360.448 4.242 20 0 FIADLP C[NH+](Cc1ccccc1OC(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525781012 1109516633 /nfs/dbraw/zinc/51/66/33/1109516633.db2.gz GCGVTPKXFXPQCZ-GOSISDBHSA-N 2 2 360.448 4.242 20 0 FIADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC[C@H]3c3ccccc3)C2)cc1 ZINC000429720755 1109605183 /nfs/dbraw/zinc/60/51/83/1109605183.db2.gz QANOJQMJVCZXMS-GOTSBHOMSA-N 2 2 350.506 4.115 20 0 FIADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC[C@H]3c3ccccc3)C2)cc1 ZINC000429720755 1109605185 /nfs/dbraw/zinc/60/51/85/1109605185.db2.gz QANOJQMJVCZXMS-GOTSBHOMSA-N 2 2 350.506 4.115 20 0 FIADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCC[C@H]3c3ccccc3)C2)cc1 ZINC000429720755 1109605187 /nfs/dbraw/zinc/60/51/87/1109605187.db2.gz QANOJQMJVCZXMS-GOTSBHOMSA-N 2 2 350.506 4.115 20 0 FIADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCC[C@H]3c3ccccc3)C2)cc1 ZINC000429720755 1109605189 /nfs/dbraw/zinc/60/51/89/1109605189.db2.gz QANOJQMJVCZXMS-GOTSBHOMSA-N 2 2 350.506 4.115 20 0 FIADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cc(F)c(Br)cc2F)CC1 ZINC000527861165 1109842055 /nfs/dbraw/zinc/84/20/55/1109842055.db2.gz CDNHLCLLPXQEES-LLVKDONJSA-N 2 2 361.274 4.251 20 0 FIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449010027 1109957765 /nfs/dbraw/zinc/95/77/65/1109957765.db2.gz QZNZDRSOMANJSF-UHFFFAOYSA-N 2 2 365.493 4.393 20 0 FIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449010027 1109957766 /nfs/dbraw/zinc/95/77/66/1109957766.db2.gz QZNZDRSOMANJSF-UHFFFAOYSA-N 2 2 365.493 4.393 20 0 FIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449035372 1109961315 /nfs/dbraw/zinc/96/13/15/1109961315.db2.gz GUJWZMUCRWHROL-LJQANCHMSA-N 2 2 357.567 4.092 20 0 FIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449035372 1109961318 /nfs/dbraw/zinc/96/13/18/1109961318.db2.gz GUJWZMUCRWHROL-LJQANCHMSA-N 2 2 357.567 4.092 20 0 FIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449035372 1109961320 /nfs/dbraw/zinc/96/13/20/1109961320.db2.gz GUJWZMUCRWHROL-LJQANCHMSA-N 2 2 357.567 4.092 20 0 FIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449035372 1109961321 /nfs/dbraw/zinc/96/13/21/1109961321.db2.gz GUJWZMUCRWHROL-LJQANCHMSA-N 2 2 357.567 4.092 20 0 FIADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449136437 1109982982 /nfs/dbraw/zinc/98/29/82/1109982982.db2.gz BGJYPDBOZZCUJF-RTWAWAEBSA-N 2 2 356.554 4.151 20 0 FIADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449136437 1109982984 /nfs/dbraw/zinc/98/29/84/1109982984.db2.gz BGJYPDBOZZCUJF-RTWAWAEBSA-N 2 2 356.554 4.151 20 0 FIADLP COc1cc(F)cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000449189268 1109991578 /nfs/dbraw/zinc/99/15/78/1109991578.db2.gz MCRRWTWALRQSII-OAQYLSRUSA-N 2 2 353.441 4.179 20 0 FIADLP COC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000449180139 1109992968 /nfs/dbraw/zinc/99/29/68/1109992968.db2.gz YLWITNBPFNHHNX-FDDCHVKYSA-N 2 2 370.512 4.198 20 0 FIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449229839 1110003350 /nfs/dbraw/zinc/00/33/50/1110003350.db2.gz FLEAZMJBSLHQBT-HNNXBMFYSA-N 2 2 370.497 4.137 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C)cc3C)CC2)cc1 ZINC000449521960 1110098379 /nfs/dbraw/zinc/09/83/79/1110098379.db2.gz JNRMKXJFPCRZNQ-UHFFFAOYSA-N 2 2 365.521 4.016 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)CCCC(C)C)CC2)cc1 ZINC000449525694 1110099397 /nfs/dbraw/zinc/09/93/97/1110099397.db2.gz TXRKIYIHXSCCMP-SFHVURJKSA-N 2 2 359.558 4.414 20 0 FIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCc2ccc(Cl)cc2)[C@@H]1c1cnn(C)c1 ZINC000450794538 1110342711 /nfs/dbraw/zinc/34/27/11/1110342711.db2.gz RMTGFDQKIZQBPP-GHTZIAJQSA-N 2 2 374.960 4.021 20 0 FIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCc2ccc(Cl)cc2)[C@@H]1c1cnn(C)c1 ZINC000450794538 1110342713 /nfs/dbraw/zinc/34/27/13/1110342713.db2.gz RMTGFDQKIZQBPP-GHTZIAJQSA-N 2 2 374.960 4.021 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCc2ccc(Cl)cc2)[C@@H]1c1cnn(C)c1 ZINC000450794538 1110342715 /nfs/dbraw/zinc/34/27/15/1110342715.db2.gz RMTGFDQKIZQBPP-GHTZIAJQSA-N 2 2 374.960 4.021 20 0 FIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCc2ccc(Cl)cc2)[C@@H]1c1cnn(C)c1 ZINC000450794538 1110342717 /nfs/dbraw/zinc/34/27/17/1110342717.db2.gz RMTGFDQKIZQBPP-GHTZIAJQSA-N 2 2 374.960 4.021 20 0 FIADLP Cc1cc(N2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000461391880 1111186817 /nfs/dbraw/zinc/18/68/17/1111186817.db2.gz UCRVKWRWPAGCBS-UHFFFAOYSA-N 2 2 360.452 4.168 20 0 FIADLP CSc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000538558256 1111192653 /nfs/dbraw/zinc/19/26/53/1111192653.db2.gz UXVVHJOFDYDPGJ-YJBOKZPZSA-N 2 2 356.539 4.117 20 0 FIADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C(C)(C)c1ccccc1 ZINC000538589038 1111211260 /nfs/dbraw/zinc/21/12/60/1111211260.db2.gz TUIHSPOPMCZYFP-GOSISDBHSA-N 2 2 366.553 4.390 20 0 FIADLP Cc1cccc2ncc(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)n21 ZINC000538732128 1111269364 /nfs/dbraw/zinc/26/93/64/1111269364.db2.gz MPYLCAHIMNTVAB-CTNGQTDRSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccc2ncc(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)n21 ZINC000538732128 1111269370 /nfs/dbraw/zinc/26/93/70/1111269370.db2.gz MPYLCAHIMNTVAB-CTNGQTDRSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccc2ncc(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)n21 ZINC000538732128 1111269375 /nfs/dbraw/zinc/26/93/75/1111269375.db2.gz MPYLCAHIMNTVAB-CTNGQTDRSA-N 2 2 362.521 4.128 20 0 FIADLP Cc1cccc2ncc(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)n21 ZINC000538732128 1111269378 /nfs/dbraw/zinc/26/93/78/1111269378.db2.gz MPYLCAHIMNTVAB-CTNGQTDRSA-N 2 2 362.521 4.128 20 0 FIADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)o1 ZINC000538850035 1111318765 /nfs/dbraw/zinc/31/87/65/1111318765.db2.gz IUUCYBAVOZUKRJ-DOTOQJQBSA-N 2 2 373.928 4.098 20 0 FIADLP CCCOc1ccc(Oc2ncccc2C[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000461802184 1111368008 /nfs/dbraw/zinc/36/80/08/1111368008.db2.gz QFMCVDLFYWPAFN-UHFFFAOYSA-N 2 2 369.509 4.237 20 0 FIADLP C[N@@H+]1CC[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@H]2CCC[C@H]21 ZINC000552067182 1111565570 /nfs/dbraw/zinc/56/55/70/1111565570.db2.gz BGVYEKVBSBEJAD-QHAWAJNXSA-N 2 2 350.510 4.171 20 0 FIADLP C[N@H+]1CC[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@H]2CCC[C@H]21 ZINC000552067182 1111565574 /nfs/dbraw/zinc/56/55/74/1111565574.db2.gz BGVYEKVBSBEJAD-QHAWAJNXSA-N 2 2 350.510 4.171 20 0 FIADLP Clc1ccc2c(c1)[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CC2 ZINC000479244371 1111973014 /nfs/dbraw/zinc/97/30/14/1111973014.db2.gz BCYOXZYWACCAKQ-FQEVSTJZSA-N 2 2 351.881 4.404 20 0 FIADLP COc1cc2c(NCc3ccc(Cn4cc[nH+]c4)cc3)cc[nH+]c2cc1F ZINC000479399563 1112013200 /nfs/dbraw/zinc/01/32/00/1112013200.db2.gz OEBVMQPRWFQELF-UHFFFAOYSA-N 2 2 362.408 4.239 20 0 FIADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479475941 1112037684 /nfs/dbraw/zinc/03/76/84/1112037684.db2.gz OVUUBLYYCAHOCV-VPHZQHATSA-N 2 2 370.434 4.454 20 0 FIADLP CCO[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C12CCCC2 ZINC000479484452 1112040524 /nfs/dbraw/zinc/04/05/24/1112040524.db2.gz QZVZUBIMFLTODF-FOIPXRHGSA-N 2 2 374.491 4.119 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000479537267 1112061950 /nfs/dbraw/zinc/06/19/50/1112061950.db2.gz GUWLQQVNUPXZTQ-KCOOCBJMSA-N 2 2 369.940 4.481 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000479537267 1112061954 /nfs/dbraw/zinc/06/19/54/1112061954.db2.gz GUWLQQVNUPXZTQ-KCOOCBJMSA-N 2 2 369.940 4.481 20 0 FIADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)c(Br)c1 ZINC000479542227 1112063157 /nfs/dbraw/zinc/06/31/57/1112063157.db2.gz WFXRMHFOSLMNRH-LRVUVFPRSA-N 2 2 355.295 4.256 20 0 FIADLP COc1cc2c(NC3CCN(c4ccc(C)c[nH+]4)CC3)cc[nH+]c2cc1F ZINC000480010658 1112236598 /nfs/dbraw/zinc/23/65/98/1112236598.db2.gz HOJPUESCQGYCRS-UHFFFAOYSA-N 2 2 366.440 4.167 20 0 FIADLP Cc1ccc(CSCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000480034208 1112241599 /nfs/dbraw/zinc/24/15/99/1112241599.db2.gz KCLJHCIPQPTUNK-DENIHFKCSA-N 2 2 369.578 4.123 20 0 FIADLP Cc1ccc(CSCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000480034208 1112241605 /nfs/dbraw/zinc/24/16/05/1112241605.db2.gz KCLJHCIPQPTUNK-DENIHFKCSA-N 2 2 369.578 4.123 20 0 FIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCOC2CCC2)CC1 ZINC000554242513 1112266894 /nfs/dbraw/zinc/26/68/94/1112266894.db2.gz BUHPDLQZKDFOOW-UHFFFAOYSA-N 2 2 370.459 4.171 20 0 FIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCOC2CCC2)CC1 ZINC000554242513 1112266897 /nfs/dbraw/zinc/26/68/97/1112266897.db2.gz BUHPDLQZKDFOOW-UHFFFAOYSA-N 2 2 370.459 4.171 20 0 FIADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2ccccc2n1 ZINC000480251953 1112351249 /nfs/dbraw/zinc/35/12/49/1112351249.db2.gz ULBNXIUUFRCQMJ-FQEVSTJZSA-N 2 2 374.532 4.098 20 0 FIADLP Fc1ccc(Oc2ccc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cn2)cc1 ZINC000667658911 1112390517 /nfs/dbraw/zinc/39/05/17/1112390517.db2.gz UVCYNCHJPRKEBJ-FQEVSTJZSA-N 2 2 369.484 4.463 20 0 FIADLP Fc1ccc(Oc2ccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cn2)cc1 ZINC000667658911 1112390522 /nfs/dbraw/zinc/39/05/22/1112390522.db2.gz UVCYNCHJPRKEBJ-FQEVSTJZSA-N 2 2 369.484 4.463 20 0 FIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCC(C)(C)O1 ZINC000480748706 1112575915 /nfs/dbraw/zinc/57/59/15/1112575915.db2.gz IDSJYYUJPDLIJI-FQEVSTJZSA-N 2 2 371.525 4.132 20 0 FIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCC(C)(C)O1 ZINC000480748706 1112575920 /nfs/dbraw/zinc/57/59/20/1112575920.db2.gz IDSJYYUJPDLIJI-FQEVSTJZSA-N 2 2 371.525 4.132 20 0 FIADLP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1F ZINC000480743955 1112581596 /nfs/dbraw/zinc/58/15/96/1112581596.db2.gz JJRGMOSGWORPKI-ICSRJNTNSA-N 2 2 371.500 4.226 20 0 FIADLP COc1ccc2oc([C@@H](C)[NH2+]CCc3cn4c([nH+]3)CCCC4)c(C)c2c1 ZINC000480768330 1112587557 /nfs/dbraw/zinc/58/75/57/1112587557.db2.gz NRLMWKKZRKRNOP-OAHLLOKOSA-N 2 2 353.466 4.176 20 0 FIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000480761523 1112591647 /nfs/dbraw/zinc/59/16/47/1112591647.db2.gz SNGSFZZCMKYHKL-XJKSGUPXSA-N 2 2 356.470 4.201 20 0 FIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000480774304 1112599123 /nfs/dbraw/zinc/59/91/23/1112599123.db2.gz ZFYKBPDKNALYST-CJNGLKHVSA-N 2 2 356.470 4.201 20 0 FIADLP Cc1ccc(C[N@@H+](C)[C@H]2CCC[NH+](Cc3ccc(C)nc3C)CC2)c(C)n1 ZINC000480841645 1112629011 /nfs/dbraw/zinc/62/90/11/1112629011.db2.gz BXHFLAPPINWFTP-QHCPKHFHSA-N 2 2 366.553 4.197 20 0 FIADLP Cc1ccc(C[N@H+](C)[C@H]2CCC[NH+](Cc3ccc(C)nc3C)CC2)c(C)n1 ZINC000480841645 1112629012 /nfs/dbraw/zinc/62/90/12/1112629012.db2.gz BXHFLAPPINWFTP-QHCPKHFHSA-N 2 2 366.553 4.197 20 0 FIADLP Cc1ccc(C[NH+](C)[C@H]2CCC[N@H+](Cc3ccc(C)nc3C)CC2)c(C)n1 ZINC000480841645 1112629014 /nfs/dbraw/zinc/62/90/14/1112629014.db2.gz BXHFLAPPINWFTP-QHCPKHFHSA-N 2 2 366.553 4.197 20 0 FIADLP Cc1ccc(C[NH+](C)[C@H]2CCC[N@@H+](Cc3ccc(C)nc3C)CC2)c(C)n1 ZINC000480841645 1112629015 /nfs/dbraw/zinc/62/90/15/1112629015.db2.gz BXHFLAPPINWFTP-QHCPKHFHSA-N 2 2 366.553 4.197 20 0 FIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@@H]3CO[C@H](C4CC4)C3)cc2)c[nH+]1 ZINC000667843546 1112813038 /nfs/dbraw/zinc/81/30/38/1112813038.db2.gz GZCDZVPJASTFJX-UPVQGACJSA-N 2 2 373.500 4.256 20 0 FIADLP COc1ccc(OC)c([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000481339674 1112905981 /nfs/dbraw/zinc/90/59/81/1112905981.db2.gz QZEBVKTWUIRHHI-SFHVURJKSA-N 2 2 368.521 4.327 20 0 FIADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000481927150 1113137312 /nfs/dbraw/zinc/13/73/12/1113137312.db2.gz ZGVOBRVFSBZTPP-CQSZACIVSA-N 2 2 351.416 4.002 20 0 FIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccncc3)ccc2OC)C[C@@H]1C ZINC000481991672 1113146488 /nfs/dbraw/zinc/14/64/88/1113146488.db2.gz OXUFWQHEUTXVNN-UWJYYQICSA-N 2 2 353.510 4.062 20 0 FIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccncc3)ccc2OC)C[C@@H]1C ZINC000481991672 1113146490 /nfs/dbraw/zinc/14/64/90/1113146490.db2.gz OXUFWQHEUTXVNN-UWJYYQICSA-N 2 2 353.510 4.062 20 0 FIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccncc3)ccc2OC)C[C@@H]1C ZINC000481991672 1113146491 /nfs/dbraw/zinc/14/64/91/1113146491.db2.gz OXUFWQHEUTXVNN-UWJYYQICSA-N 2 2 353.510 4.062 20 0 FIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccncc3)ccc2OC)C[C@@H]1C ZINC000481991672 1113146494 /nfs/dbraw/zinc/14/64/94/1113146494.db2.gz OXUFWQHEUTXVNN-UWJYYQICSA-N 2 2 353.510 4.062 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000482122636 1113182163 /nfs/dbraw/zinc/18/21/63/1113182163.db2.gz TYKMITXLTJBROY-CVEARBPZSA-N 2 2 362.514 4.459 20 0 FIADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(F)c1 ZINC000482122636 1113182166 /nfs/dbraw/zinc/18/21/66/1113182166.db2.gz TYKMITXLTJBROY-CVEARBPZSA-N 2 2 362.514 4.459 20 0 FIADLP COc1cc(OC)c([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1Cl ZINC000162908572 1113219200 /nfs/dbraw/zinc/21/92/00/1113219200.db2.gz SNSNDLVFQDEZFY-CQSZACIVSA-N 2 2 363.889 4.295 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000162927074 1113250024 /nfs/dbraw/zinc/25/00/24/1113250024.db2.gz BVQSALOFNOVEES-LJQANCHMSA-N 3 2 360.505 4.319 20 0 FIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000482460277 1113267932 /nfs/dbraw/zinc/26/79/32/1113267932.db2.gz XUCZGXHUQDVBNG-FCHUYYIVSA-N 2 2 356.485 4.112 20 0 FIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000482460277 1113267936 /nfs/dbraw/zinc/26/79/36/1113267936.db2.gz XUCZGXHUQDVBNG-FCHUYYIVSA-N 2 2 356.485 4.112 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000482895581 1113394001 /nfs/dbraw/zinc/39/40/01/1113394001.db2.gz YKEVLPFYVWOUTL-NFBKMPQASA-N 2 2 373.585 4.401 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000482895581 1113394003 /nfs/dbraw/zinc/39/40/03/1113394003.db2.gz YKEVLPFYVWOUTL-NFBKMPQASA-N 2 2 373.585 4.401 20 0 FIADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(Br)c(Cl)s2)CC1 ZINC000483260497 1113475543 /nfs/dbraw/zinc/47/55/43/1113475543.db2.gz CKPOBVRBCZRZSC-UHFFFAOYSA-N 2 2 365.768 4.470 20 0 FIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Br)c(Cl)s2)CC1 ZINC000483260497 1113475546 /nfs/dbraw/zinc/47/55/46/1113475546.db2.gz CKPOBVRBCZRZSC-UHFFFAOYSA-N 2 2 365.768 4.470 20 0 FIADLP CC[N@H+](CCc1ccc(F)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489887382 1114182598 /nfs/dbraw/zinc/18/25/98/1114182598.db2.gz NAMRZLOAEIYIEM-UHFFFAOYSA-N 2 2 359.464 4.141 20 0 FIADLP CC[N@@H+](CCc1ccc(F)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489887382 1114182599 /nfs/dbraw/zinc/18/25/99/1114182599.db2.gz NAMRZLOAEIYIEM-UHFFFAOYSA-N 2 2 359.464 4.141 20 0 FIADLP CC[N@H+](C[C@H]1CCO[C@@H](C)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000490355342 1114278086 /nfs/dbraw/zinc/27/80/86/1114278086.db2.gz PRQXBKGSPHODMT-OALUTQOASA-N 2 2 374.573 4.014 20 0 FIADLP CC[N@@H+](C[C@H]1CCO[C@@H](C)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000490355342 1114278089 /nfs/dbraw/zinc/27/80/89/1114278089.db2.gz PRQXBKGSPHODMT-OALUTQOASA-N 2 2 374.573 4.014 20 0 FIADLP C[C@@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000151049312 1114284228 /nfs/dbraw/zinc/28/42/28/1114284228.db2.gz PHDQQCDZHYSFRB-GOSISDBHSA-N 2 2 374.488 4.240 20 0 FIADLP c1c(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)onc1-c1ccccc1 ZINC000491058328 1114368156 /nfs/dbraw/zinc/36/81/56/1114368156.db2.gz GLJLGCKZCCRFGA-IBGZPJMESA-N 2 2 353.510 4.430 20 0 FIADLP c1c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)onc1-c1ccccc1 ZINC000491058328 1114368160 /nfs/dbraw/zinc/36/81/60/1114368160.db2.gz GLJLGCKZCCRFGA-IBGZPJMESA-N 2 2 353.510 4.430 20 0 FIADLP c1oc(-c2ccccc2)nc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000571211357 1114452959 /nfs/dbraw/zinc/45/29/59/1114452959.db2.gz GGQWAKDEWVJBBD-VXKWHMMOSA-N 2 2 373.500 4.296 20 0 FIADLP c1oc(-c2ccccc2)nc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000571211357 1114452960 /nfs/dbraw/zinc/45/29/60/1114452960.db2.gz GGQWAKDEWVJBBD-VXKWHMMOSA-N 2 2 373.500 4.296 20 0 FIADLP c1oc(-c2ccccc2)nc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000571211357 1114452961 /nfs/dbraw/zinc/45/29/61/1114452961.db2.gz GGQWAKDEWVJBBD-VXKWHMMOSA-N 2 2 373.500 4.296 20 0 FIADLP c1oc(-c2ccccc2)nc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000571211357 1114452962 /nfs/dbraw/zinc/45/29/62/1114452962.db2.gz GGQWAKDEWVJBBD-VXKWHMMOSA-N 2 2 373.500 4.296 20 0 FIADLP Clc1ccccc1C[NH+]1CCC(C[NH2+]Cc2n[nH]c3ccccc32)CC1 ZINC000592464466 1115234883 /nfs/dbraw/zinc/23/48/83/1115234883.db2.gz TVFOBBHDDUJJAR-UHFFFAOYSA-N 2 2 368.912 4.218 20 0 FIADLP CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000593691442 1115342882 /nfs/dbraw/zinc/34/28/82/1115342882.db2.gz PUZIJOCWSUYTGK-LEWJYISDSA-N 2 2 370.537 4.021 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000574996874 1115528510 /nfs/dbraw/zinc/52/85/10/1115528510.db2.gz SVNBSMPZBBLPPH-MISYRCLQSA-N 2 2 361.489 4.343 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000574996874 1115528514 /nfs/dbraw/zinc/52/85/14/1115528514.db2.gz SVNBSMPZBBLPPH-MISYRCLQSA-N 2 2 361.489 4.343 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000574996874 1115528518 /nfs/dbraw/zinc/52/85/18/1115528518.db2.gz SVNBSMPZBBLPPH-MISYRCLQSA-N 2 2 361.489 4.343 20 0 FIADLP C[C@H](c1nc2ccccc2o1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000574996874 1115528520 /nfs/dbraw/zinc/52/85/20/1115528520.db2.gz SVNBSMPZBBLPPH-MISYRCLQSA-N 2 2 361.489 4.343 20 0 FIADLP C[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2F)c1)Cn1cc[nH+]c1 ZINC000062254263 1115907918 /nfs/dbraw/zinc/90/79/18/1115907918.db2.gz ZRBFHQLVRABRHH-KRWDZBQOSA-N 2 2 353.441 4.027 20 0 FIADLP FC(F)SCc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)o1 ZINC000063319790 1116049834 /nfs/dbraw/zinc/04/98/34/1116049834.db2.gz ANDDJRGYDCJQPJ-UHFFFAOYSA-N 2 2 358.498 4.480 20 0 FIADLP CC[C@@H](C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000546869833 1116241235 /nfs/dbraw/zinc/24/12/35/1116241235.db2.gz NCNBCFPKXDJLAA-SFTDATJTSA-N 2 2 357.929 4.483 20 0 FIADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000535506174 1116315612 /nfs/dbraw/zinc/31/56/12/1116315612.db2.gz ASUJSSNSIBUTRW-OZVIIMIRSA-N 2 2 355.295 4.038 20 0 FIADLP Clc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c2ncccc12 ZINC000535575397 1116328933 /nfs/dbraw/zinc/32/89/33/1116328933.db2.gz PVQMOERLWZNJQU-UHFFFAOYSA-N 2 2 352.869 4.360 20 0 FIADLP FC(F)(F)COc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000535577084 1116329304 /nfs/dbraw/zinc/32/93/04/1116329304.db2.gz UABIWNSRHFNALG-UHFFFAOYSA-N 2 2 365.399 4.099 20 0 FIADLP CCCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OC ZINC000539822894 1116386408 /nfs/dbraw/zinc/38/64/08/1116386408.db2.gz WEMBVPNKAZYCPS-HXUWFJFHSA-N 2 2 360.542 4.324 20 0 FIADLP CCCCOc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OC ZINC000539822894 1116386409 /nfs/dbraw/zinc/38/64/09/1116386409.db2.gz WEMBVPNKAZYCPS-HXUWFJFHSA-N 2 2 360.542 4.324 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@H](C)C1 ZINC000539835167 1116388762 /nfs/dbraw/zinc/38/87/62/1116388762.db2.gz HSUCKNYYWSUSRN-QVKFZJNVSA-N 2 2 374.960 4.305 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@H](C)C1 ZINC000539835167 1116388764 /nfs/dbraw/zinc/38/87/64/1116388764.db2.gz HSUCKNYYWSUSRN-QVKFZJNVSA-N 2 2 374.960 4.305 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@H](C)C1 ZINC000539835167 1116388766 /nfs/dbraw/zinc/38/87/66/1116388766.db2.gz HSUCKNYYWSUSRN-QVKFZJNVSA-N 2 2 374.960 4.305 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@H](C)C1 ZINC000539835167 1116388768 /nfs/dbraw/zinc/38/87/68/1116388768.db2.gz HSUCKNYYWSUSRN-QVKFZJNVSA-N 2 2 374.960 4.305 20 0 FIADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000462671062 1116389137 /nfs/dbraw/zinc/38/91/37/1116389137.db2.gz ABWCQOUVYJDISA-UHFFFAOYSA-N 2 2 359.739 4.313 20 0 FIADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)sc1Br ZINC000539896090 1117739420 /nfs/dbraw/zinc/73/94/20/1117739420.db2.gz ISUQQHSQSKHGEA-CZUORRHYSA-N 2 2 369.372 4.268 20 0 FIADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)sc1Br ZINC000539896090 1117739421 /nfs/dbraw/zinc/73/94/21/1117739421.db2.gz ISUQQHSQSKHGEA-CZUORRHYSA-N 2 2 369.372 4.268 20 0 FIADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)sc1Br ZINC000539896090 1117739424 /nfs/dbraw/zinc/73/94/24/1117739424.db2.gz ISUQQHSQSKHGEA-CZUORRHYSA-N 2 2 369.372 4.268 20 0 FIADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)sc1Br ZINC000539896090 1117739426 /nfs/dbraw/zinc/73/94/26/1117739426.db2.gz ISUQQHSQSKHGEA-CZUORRHYSA-N 2 2 369.372 4.268 20 0 FIADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000539897711 1117739824 /nfs/dbraw/zinc/73/98/24/1117739824.db2.gz APWZJGBEVBAKBL-SJLPKXTDSA-N 2 2 366.933 4.054 20 0 FIADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000539897711 1117739827 /nfs/dbraw/zinc/73/98/27/1117739827.db2.gz APWZJGBEVBAKBL-SJLPKXTDSA-N 2 2 366.933 4.054 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000539897711 1117739828 /nfs/dbraw/zinc/73/98/28/1117739828.db2.gz APWZJGBEVBAKBL-SJLPKXTDSA-N 2 2 366.933 4.054 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000539897711 1117739831 /nfs/dbraw/zinc/73/98/31/1117739831.db2.gz APWZJGBEVBAKBL-SJLPKXTDSA-N 2 2 366.933 4.054 20 0 FIADLP c1cc(C[NH2+]Cc2ccc(C3CCCC3)cc2)cc(C[NH+]2CCOCC2)c1 ZINC000462782121 1117764043 /nfs/dbraw/zinc/76/40/43/1117764043.db2.gz YPTXJLPHMYODKE-UHFFFAOYSA-N 2 2 364.533 4.466 20 0 FIADLP Oc1cccc2c1CCC[C@H]2[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000462815650 1117793510 /nfs/dbraw/zinc/79/35/10/1117793510.db2.gz YIWKFAABQVVGRH-JTTJXQCZSA-N 2 2 368.443 4.165 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000540163870 1117917934 /nfs/dbraw/zinc/91/79/34/1117917934.db2.gz PYXUBOHRUAWPKK-RZAIGCCYSA-N 2 2 357.325 4.022 20 0 FIADLP Cc1[nH+]cn(-c2ccc(NC3CC[NH+](CCC(F)(F)F)CC3)cc2)c1C ZINC000463022980 1117918833 /nfs/dbraw/zinc/91/88/33/1117918833.db2.gz LCSKLTRHZFOBHP-UHFFFAOYSA-N 2 2 366.431 4.318 20 0 FIADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1nc2ccc(Cl)cc2n1C ZINC000540300809 1117975302 /nfs/dbraw/zinc/97/53/02/1117975302.db2.gz SRQBJRKGPILFAA-DYVFJYSZSA-N 2 2 350.938 4.244 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)cc1 ZINC000463120470 1117979240 /nfs/dbraw/zinc/97/92/40/1117979240.db2.gz VYRKYIMYTZSIKZ-QDSKXPNFSA-N 2 2 365.565 4.240 20 0 FIADLP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)cc1 ZINC000463120470 1117979241 /nfs/dbraw/zinc/97/92/41/1117979241.db2.gz VYRKYIMYTZSIKZ-QDSKXPNFSA-N 2 2 365.565 4.240 20 0 FIADLP CC(C)[C@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)[NH+]1CCCC1 ZINC000463132153 1117983573 /nfs/dbraw/zinc/98/35/73/1117983573.db2.gz NKJOOIZFMZZHSV-NRFANRHFSA-N 2 2 363.977 4.014 20 0 FIADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000463263602 1118058315 /nfs/dbraw/zinc/05/83/15/1118058315.db2.gz DDMOZZNRDNMIRY-MDKPJZGXSA-N 2 2 354.469 4.292 20 0 FIADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)CC[N@H+]1Cc1ccccc1 ZINC000463263602 1118058321 /nfs/dbraw/zinc/05/83/21/1118058321.db2.gz DDMOZZNRDNMIRY-MDKPJZGXSA-N 2 2 354.469 4.292 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000463287543 1118084074 /nfs/dbraw/zinc/08/40/74/1118084074.db2.gz MUKUOTKJIMKEMU-PERKRYKHSA-N 2 2 374.475 4.295 20 0 FIADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000463287543 1118084079 /nfs/dbraw/zinc/08/40/79/1118084079.db2.gz MUKUOTKJIMKEMU-PERKRYKHSA-N 2 2 374.475 4.295 20 0 FIADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000540982661 1118336931 /nfs/dbraw/zinc/33/69/31/1118336931.db2.gz WHDXZAVHVSXTHF-INIZCTEOSA-N 2 2 374.960 4.342 20 0 FIADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000540982661 1118336934 /nfs/dbraw/zinc/33/69/34/1118336934.db2.gz WHDXZAVHVSXTHF-INIZCTEOSA-N 2 2 374.960 4.342 20 0 FIADLP C[C@@H]1[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C[C@H]1c1ccccc1 ZINC000464061171 1118422537 /nfs/dbraw/zinc/42/25/37/1118422537.db2.gz ZVKNYAVDUSPZDI-MTNREXPMSA-N 2 2 364.537 4.216 20 0 FIADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541546862 1118551304 /nfs/dbraw/zinc/55/13/04/1118551304.db2.gz WUKKRMBEYIBVEY-UZUQRXQVSA-N 2 2 363.480 4.395 20 0 FIADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541546862 1118551306 /nfs/dbraw/zinc/55/13/06/1118551306.db2.gz WUKKRMBEYIBVEY-UZUQRXQVSA-N 2 2 363.480 4.395 20 0 FIADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541553061 1118560487 /nfs/dbraw/zinc/56/04/87/1118560487.db2.gz YLNSQRRLHCLXRB-UZUQRXQVSA-N 2 2 363.480 4.395 20 0 FIADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541553061 1118560489 /nfs/dbraw/zinc/56/04/89/1118560489.db2.gz YLNSQRRLHCLXRB-UZUQRXQVSA-N 2 2 363.480 4.395 20 0 FIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2ccccc2Cl)C1 ZINC000303586350 1118968578 /nfs/dbraw/zinc/96/85/78/1118968578.db2.gz LIYYHEPQEFOPPX-ROUUACIJSA-N 2 2 350.934 4.305 20 0 FIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2ccccc2Cl)C1 ZINC000303586350 1118968581 /nfs/dbraw/zinc/96/85/81/1118968581.db2.gz LIYYHEPQEFOPPX-ROUUACIJSA-N 2 2 350.934 4.305 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000303586350 1118968582 /nfs/dbraw/zinc/96/85/82/1118968582.db2.gz LIYYHEPQEFOPPX-ROUUACIJSA-N 2 2 350.934 4.305 20 0 FIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000303586350 1118968586 /nfs/dbraw/zinc/96/85/86/1118968586.db2.gz LIYYHEPQEFOPPX-ROUUACIJSA-N 2 2 350.934 4.305 20 0 FIADLP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(Cl)c1 ZINC000173331609 1119034256 /nfs/dbraw/zinc/03/42/56/1119034256.db2.gz BAEAYJIMRJOSJS-OAQYLSRUSA-N 2 2 358.913 4.413 20 0 FIADLP C[C@H]([NH2+]Cc1coc(-c2cccs2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492462999 1119098163 /nfs/dbraw/zinc/09/81/63/1119098163.db2.gz HRXMWOYZGFQBQA-FUHWJXTLSA-N 2 2 367.518 4.403 20 0 FIADLP C[C@H]([NH2+]Cc1coc(-c2cccs2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492462999 1119098169 /nfs/dbraw/zinc/09/81/69/1119098169.db2.gz HRXMWOYZGFQBQA-FUHWJXTLSA-N 2 2 367.518 4.403 20 0 FIADLP COc1ccc(C[NH+]2CCC([NH2+][C@@H](C)Cc3cccc(F)c3)CC2)cc1 ZINC001168455189 1119409151 /nfs/dbraw/zinc/40/91/51/1119409151.db2.gz DHNJSRBSTZHQME-KRWDZBQOSA-N 2 2 356.485 4.020 20 0 FIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1csc(Cl)c1 ZINC000191187513 1119964255 /nfs/dbraw/zinc/96/42/55/1119964255.db2.gz RVOXVIHUQIGALZ-AWEZNQCLSA-N 2 2 350.915 4.085 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000192106006 1120019514 /nfs/dbraw/zinc/01/95/14/1120019514.db2.gz YERQIQHCNNRAKE-UHFFFAOYSA-N 2 2 371.488 4.437 20 0 FIADLP C[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000192542772 1120066827 /nfs/dbraw/zinc/06/68/27/1120066827.db2.gz XYBQQVPHHVOUTH-MBSDFSHPSA-N 2 2 361.489 4.113 20 0 FIADLP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccc(Cl)cc1 ZINC000193993617 1120227207 /nfs/dbraw/zinc/22/72/07/1120227207.db2.gz VLEVJKAWMPSCBI-LJQANCHMSA-N 2 2 373.859 4.451 20 0 FIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H](c3ccco3)c3ccccc3)[nH+]c2)C1 ZINC000542501392 1120231545 /nfs/dbraw/zinc/23/15/45/1120231545.db2.gz WVXFRXWOCRPPQN-UGKGYDQZSA-N 2 2 362.477 4.016 20 0 FIADLP C[N@@H+](Cc1cnc(-c2ccco2)s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194393542 1120266090 /nfs/dbraw/zinc/26/60/90/1120266090.db2.gz STFAEEBRKMZGKW-SFHVURJKSA-N 2 2 367.518 4.357 20 0 FIADLP C[N@H+](Cc1cnc(-c2ccco2)s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194393542 1120266094 /nfs/dbraw/zinc/26/60/94/1120266094.db2.gz STFAEEBRKMZGKW-SFHVURJKSA-N 2 2 367.518 4.357 20 0 FIADLP C[NH+](Cc1cnc(-c2ccco2)s1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194393542 1120266096 /nfs/dbraw/zinc/26/60/96/1120266096.db2.gz STFAEEBRKMZGKW-SFHVURJKSA-N 2 2 367.518 4.357 20 0 FIADLP C[NH+](Cc1cnc(-c2ccco2)s1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194393542 1120266098 /nfs/dbraw/zinc/26/60/98/1120266098.db2.gz STFAEEBRKMZGKW-SFHVURJKSA-N 2 2 367.518 4.357 20 0 FIADLP C[N@@H+](Cc1cnc(-c2ccco2)s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194393557 1120266281 /nfs/dbraw/zinc/26/62/81/1120266281.db2.gz STFAEEBRKMZGKW-GOSISDBHSA-N 2 2 367.518 4.357 20 0 FIADLP C[N@H+](Cc1cnc(-c2ccco2)s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194393557 1120266287 /nfs/dbraw/zinc/26/62/87/1120266287.db2.gz STFAEEBRKMZGKW-GOSISDBHSA-N 2 2 367.518 4.357 20 0 FIADLP C[NH+](Cc1cnc(-c2ccco2)s1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194393557 1120266292 /nfs/dbraw/zinc/26/62/92/1120266292.db2.gz STFAEEBRKMZGKW-GOSISDBHSA-N 2 2 367.518 4.357 20 0 FIADLP C[NH+](Cc1cnc(-c2ccco2)s1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194393557 1120266298 /nfs/dbraw/zinc/26/62/98/1120266298.db2.gz STFAEEBRKMZGKW-GOSISDBHSA-N 2 2 367.518 4.357 20 0 FIADLP CC[N@H+](CC[C@@H]1CCCCO1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000542508410 1120283638 /nfs/dbraw/zinc/28/36/38/1120283638.db2.gz RUWBTPUNTJTWEH-FQEVSTJZSA-N 2 2 374.573 4.158 20 0 FIADLP CC[N@@H+](CC[C@@H]1CCCCO1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000542508410 1120283640 /nfs/dbraw/zinc/28/36/40/1120283640.db2.gz RUWBTPUNTJTWEH-FQEVSTJZSA-N 2 2 374.573 4.158 20 0 FIADLP Clc1ccccc1C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000494936824 1120388018 /nfs/dbraw/zinc/38/80/18/1120388018.db2.gz CLUAEBWMRJBWNZ-NVXWUHKLSA-N 2 2 357.910 4.486 20 0 FIADLP Brc1ccc(/C=C\CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000495052293 1120446494 /nfs/dbraw/zinc/44/64/94/1120446494.db2.gz YAVXHEZXMREADR-YDOVZFOCSA-N 2 2 360.299 4.455 20 0 FIADLP Brc1ccc(/C=C\CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000495052293 1120446501 /nfs/dbraw/zinc/44/65/01/1120446501.db2.gz YAVXHEZXMREADR-YDOVZFOCSA-N 2 2 360.299 4.455 20 0 FIADLP COCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C)o1 ZINC000495386639 1120765951 /nfs/dbraw/zinc/76/59/51/1120765951.db2.gz XKYNKSPWYRVPEI-YYWHXJBOSA-N 2 2 356.510 4.308 20 0 FIADLP COCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C)o1 ZINC000495386639 1120765955 /nfs/dbraw/zinc/76/59/55/1120765955.db2.gz XKYNKSPWYRVPEI-YYWHXJBOSA-N 2 2 356.510 4.308 20 0 FIADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(Br)ncc2F)C1 ZINC000762760839 1120960523 /nfs/dbraw/zinc/96/05/23/1120960523.db2.gz HWCCOXWGOKHIQE-KGLIPLIRSA-N 2 2 372.326 4.002 20 0 FIADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(Br)ncc2F)C1 ZINC000762760839 1120960525 /nfs/dbraw/zinc/96/05/25/1120960525.db2.gz HWCCOXWGOKHIQE-KGLIPLIRSA-N 2 2 372.326 4.002 20 0 FIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc2c(c1)CCO2 ZINC000153646313 1121004498 /nfs/dbraw/zinc/00/44/98/1121004498.db2.gz ZXRXCDHTWITJAF-IBGZPJMESA-N 2 2 351.425 4.187 20 0 FIADLP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001168501226 1121103598 /nfs/dbraw/zinc/10/35/98/1121103598.db2.gz QDWJBTBCZZMKMM-QGZVFWFLSA-N 2 2 358.476 4.492 20 0 FIADLP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001168501226 1121103602 /nfs/dbraw/zinc/10/36/02/1121103602.db2.gz QDWJBTBCZZMKMM-QGZVFWFLSA-N 2 2 358.476 4.492 20 0 FIADLP O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000045955525 1121260919 /nfs/dbraw/zinc/26/09/19/1121260919.db2.gz SLEJGYBIVFVADL-UHFFFAOYSA-N 2 2 360.461 4.111 20 0 FIADLP COc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)ccc1OC(F)F ZINC000057592967 1121374434 /nfs/dbraw/zinc/37/44/34/1121374434.db2.gz GAVVFNKKYOXCJN-UHFFFAOYSA-N 2 2 373.403 4.114 20 0 FIADLP COc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)ccc1OC(F)F ZINC000057592967 1121374447 /nfs/dbraw/zinc/37/44/47/1121374447.db2.gz GAVVFNKKYOXCJN-UHFFFAOYSA-N 2 2 373.403 4.114 20 0 FIADLP C[N@H+](Cc1ccc(Br)s1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000057642237 1121377323 /nfs/dbraw/zinc/37/73/23/1121377323.db2.gz DAYGIIPVRAATRR-UHFFFAOYSA-N 2 2 362.296 4.328 20 0 FIADLP C[N@@H+](Cc1ccc(Br)s1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000057642237 1121377331 /nfs/dbraw/zinc/37/73/31/1121377331.db2.gz DAYGIIPVRAATRR-UHFFFAOYSA-N 2 2 362.296 4.328 20 0 FIADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000061030864 1121505977 /nfs/dbraw/zinc/50/59/77/1121505977.db2.gz PGAWVKVTLNAAKQ-UHFFFAOYSA-N 2 2 360.505 4.033 20 0 FIADLP C[C@H](C[NH2+]Cc1cc(F)ccc1Oc1cncc(Cl)c1)Cn1cc[nH+]c1 ZINC001649101244 1121790581 /nfs/dbraw/zinc/79/05/81/1121790581.db2.gz GGFQWNDFJBUCFO-CQSZACIVSA-N 2 2 374.847 4.289 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Br)cc1F ZINC000125844455 1121849270 /nfs/dbraw/zinc/84/92/70/1121849270.db2.gz NSWBBTNUEJLEGB-GFCCVEGCSA-N 2 2 366.278 4.014 20 0 FIADLP COc1ccc([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C(C)C)cc1 ZINC000091287846 1122140321 /nfs/dbraw/zinc/14/03/21/1122140321.db2.gz LOBAQDFKYRBZPN-HSZRJFAPSA-N 2 2 368.521 4.014 20 0 FIADLP Cn1ccc([C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)c2ccc(Cl)cc2)n1 ZINC000542674576 1122216934 /nfs/dbraw/zinc/21/69/34/1122216934.db2.gz UFKHOWUADQIYNF-OAQYLSRUSA-N 2 2 368.912 4.014 20 0 FIADLP CCOc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc(Cl)c1O ZINC000497675741 1122351064 /nfs/dbraw/zinc/35/10/64/1122351064.db2.gz HMVXGVBCFQZTGH-UHFFFAOYSA-N 2 2 374.912 4.199 20 0 FIADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000130244498 1122792816 /nfs/dbraw/zinc/79/28/16/1122792816.db2.gz WYZFMSIPHWQAKM-KRWDZBQOSA-N 2 2 364.493 4.429 20 0 FIADLP CCOc1cccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000556503224 1122933566 /nfs/dbraw/zinc/93/35/66/1122933566.db2.gz HITOXELTNQUQLI-WMZHIEFXSA-N 2 2 368.521 4.027 20 0 FIADLP CCOc1cccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000556503224 1122933568 /nfs/dbraw/zinc/93/35/68/1122933568.db2.gz HITOXELTNQUQLI-WMZHIEFXSA-N 2 2 368.521 4.027 20 0 FIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000556511099 1122935947 /nfs/dbraw/zinc/93/59/47/1122935947.db2.gz RFXFCMJEXLBFOB-UHFFFAOYSA-N 2 2 365.321 4.443 20 0 FIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000556511099 1122935948 /nfs/dbraw/zinc/93/59/48/1122935948.db2.gz RFXFCMJEXLBFOB-UHFFFAOYSA-N 2 2 365.321 4.443 20 0 FIADLP C[N@H+](CCCCCc1cc(-c2cccc(F)c2)no1)CCn1cc[nH+]c1 ZINC000130885418 1122945614 /nfs/dbraw/zinc/94/56/14/1122945614.db2.gz IBNSZAVYFNQOHY-UHFFFAOYSA-N 2 2 356.445 4.022 20 0 FIADLP C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)CCn1cc[nH+]c1 ZINC000130885418 1122945617 /nfs/dbraw/zinc/94/56/17/1122945617.db2.gz IBNSZAVYFNQOHY-UHFFFAOYSA-N 2 2 356.445 4.022 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Br)c(F)c1 ZINC000131115557 1122984850 /nfs/dbraw/zinc/98/48/50/1122984850.db2.gz IZGHUYURXBNPFT-GFCCVEGCSA-N 2 2 366.278 4.014 20 0 FIADLP CCOc1ccc(OCC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000543866756 1122986871 /nfs/dbraw/zinc/98/68/71/1122986871.db2.gz AFEYZLFKYXYLGT-KRWDZBQOSA-N 2 2 351.450 4.001 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000498922526 1123082321 /nfs/dbraw/zinc/08/23/21/1123082321.db2.gz FANASSFNUMPTCV-HXUWFJFHSA-N 2 2 360.517 4.241 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000072824028 1123158383 /nfs/dbraw/zinc/15/83/83/1123158383.db2.gz XKRZLDNFBAZWIL-HXUWFJFHSA-N 2 2 365.521 4.103 20 0 FIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000072824028 1123158393 /nfs/dbraw/zinc/15/83/93/1123158393.db2.gz XKRZLDNFBAZWIL-HXUWFJFHSA-N 2 2 365.521 4.103 20 0 FIADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1nc(-c2cccs2)no1 ZINC000073637329 1123235516 /nfs/dbraw/zinc/23/55/16/1123235516.db2.gz ARSQHFVFGQHIHT-OAHLLOKOSA-N 2 2 370.522 4.491 20 0 FIADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132270347 1123238019 /nfs/dbraw/zinc/23/80/19/1123238019.db2.gz VOJVXLWWUHDXAF-JOCHJYFZSA-N 2 2 361.489 4.150 20 0 FIADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC000237783066 1123657599 /nfs/dbraw/zinc/65/75/99/1123657599.db2.gz OZESRWCPGLZNJT-VDVULAQNSA-N 2 2 368.521 4.302 20 0 FIADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC000237783066 1123657605 /nfs/dbraw/zinc/65/76/05/1123657605.db2.gz OZESRWCPGLZNJT-VDVULAQNSA-N 2 2 368.521 4.302 20 0 FIADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134916417 1123693532 /nfs/dbraw/zinc/69/35/32/1123693532.db2.gz NODMPYDPJDFFCX-DNVCBOLYSA-N 2 2 357.523 4.160 20 0 FIADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134916417 1123693539 /nfs/dbraw/zinc/69/35/39/1123693539.db2.gz NODMPYDPJDFFCX-DNVCBOLYSA-N 2 2 357.523 4.160 20 0 FIADLP Cc1oc(-c2ccsc2)nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134916417 1123693544 /nfs/dbraw/zinc/69/35/44/1123693544.db2.gz NODMPYDPJDFFCX-DNVCBOLYSA-N 2 2 357.523 4.160 20 0 FIADLP Cc1oc(-c2ccsc2)nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134916417 1123693546 /nfs/dbraw/zinc/69/35/46/1123693546.db2.gz NODMPYDPJDFFCX-DNVCBOLYSA-N 2 2 357.523 4.160 20 0 FIADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@H](C)c3ccc(F)cc3)CCCC2)no1 ZINC000136300395 1123875054 /nfs/dbraw/zinc/87/50/54/1123875054.db2.gz MQSVNDKIDBUMLN-INIZCTEOSA-N 2 2 374.504 4.213 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)o1 ZINC000245561715 1124120835 /nfs/dbraw/zinc/12/08/35/1124120835.db2.gz ODTADJOMWFVQDI-AEFFLSMTSA-N 2 2 356.514 4.065 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)o1 ZINC000245561715 1124120839 /nfs/dbraw/zinc/12/08/39/1124120839.db2.gz ODTADJOMWFVQDI-AEFFLSMTSA-N 2 2 356.514 4.065 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000245561715 1124120843 /nfs/dbraw/zinc/12/08/43/1124120843.db2.gz ODTADJOMWFVQDI-AEFFLSMTSA-N 2 2 356.514 4.065 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000245561715 1124120851 /nfs/dbraw/zinc/12/08/51/1124120851.db2.gz ODTADJOMWFVQDI-AEFFLSMTSA-N 2 2 356.514 4.065 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245609734 1124140124 /nfs/dbraw/zinc/14/01/24/1124140124.db2.gz NWZZFRKILRLBRS-TWFHAPMSSA-N 2 2 368.525 4.307 20 0 FIADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245609734 1124140130 /nfs/dbraw/zinc/14/01/30/1124140130.db2.gz NWZZFRKILRLBRS-TWFHAPMSSA-N 2 2 368.525 4.307 20 0 FIADLP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000246098104 1124349312 /nfs/dbraw/zinc/34/93/12/1124349312.db2.gz VZCLTTFFODWUDX-DLBZAZTESA-N 2 2 362.562 4.405 20 0 FIADLP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000246098104 1124349320 /nfs/dbraw/zinc/34/93/20/1124349320.db2.gz VZCLTTFFODWUDX-DLBZAZTESA-N 2 2 362.562 4.405 20 0 FIADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246423431 1124500516 /nfs/dbraw/zinc/50/05/16/1124500516.db2.gz CFLDSDVVSVFRJJ-NPPFBWRTSA-N 2 2 369.553 4.086 20 0 FIADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246423431 1124500524 /nfs/dbraw/zinc/50/05/24/1124500524.db2.gz CFLDSDVVSVFRJJ-NPPFBWRTSA-N 2 2 369.553 4.086 20 0 FIADLP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246423431 1124500533 /nfs/dbraw/zinc/50/05/33/1124500533.db2.gz CFLDSDVVSVFRJJ-NPPFBWRTSA-N 2 2 369.553 4.086 20 0 FIADLP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246423431 1124500538 /nfs/dbraw/zinc/50/05/38/1124500538.db2.gz CFLDSDVVSVFRJJ-NPPFBWRTSA-N 2 2 369.553 4.086 20 0 FIADLP c1nc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)sc1-c1ccccc1 ZINC000246563735 1124534153 /nfs/dbraw/zinc/53/41/53/1124534153.db2.gz LAXNWMHQZQUJOA-HKUYNNGSSA-N 2 2 353.535 4.259 20 0 FIADLP c1nc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)sc1-c1ccccc1 ZINC000246563735 1124534161 /nfs/dbraw/zinc/53/41/61/1124534161.db2.gz LAXNWMHQZQUJOA-HKUYNNGSSA-N 2 2 353.535 4.259 20 0 FIADLP c1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)sc1-c1ccccc1 ZINC000246563735 1124534167 /nfs/dbraw/zinc/53/41/67/1124534167.db2.gz LAXNWMHQZQUJOA-HKUYNNGSSA-N 2 2 353.535 4.259 20 0 FIADLP c1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)sc1-c1ccccc1 ZINC000246563735 1124534172 /nfs/dbraw/zinc/53/41/72/1124534172.db2.gz LAXNWMHQZQUJOA-HKUYNNGSSA-N 2 2 353.535 4.259 20 0 FIADLP COc1ccc([C@@H]2C[C@@H]([N@H+](C3CCCC3)C3CC[NH+](C)CC3)CCO2)cc1 ZINC001168670438 1124701680 /nfs/dbraw/zinc/70/16/80/1124701680.db2.gz ALGQHWLHQMTYCK-GMAHTHKFSA-N 2 2 372.553 4.254 20 0 FIADLP COc1ccc([C@@H]2C[C@@H]([N@@H+](C3CCCC3)C3CC[NH+](C)CC3)CCO2)cc1 ZINC001168670438 1124701686 /nfs/dbraw/zinc/70/16/86/1124701686.db2.gz ALGQHWLHQMTYCK-GMAHTHKFSA-N 2 2 372.553 4.254 20 0 FIADLP COc1ccc([C@@H]2C[C@H]([N@H+](C3CCCC3)C3CC[NH+](C)CC3)CCO2)cc1 ZINC001168670437 1124701925 /nfs/dbraw/zinc/70/19/25/1124701925.db2.gz ALGQHWLHQMTYCK-GGAORHGYSA-N 2 2 372.553 4.254 20 0 FIADLP COc1ccc([C@@H]2C[C@H]([N@@H+](C3CCCC3)C3CC[NH+](C)CC3)CCO2)cc1 ZINC001168670437 1124701931 /nfs/dbraw/zinc/70/19/31/1124701931.db2.gz ALGQHWLHQMTYCK-GGAORHGYSA-N 2 2 372.553 4.254 20 0 FIADLP C[C@H]1CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000247788802 1124726113 /nfs/dbraw/zinc/72/61/13/1124726113.db2.gz YVSUEBDHBXWXPL-IFXJQAMLSA-N 2 2 356.857 4.275 20 0 FIADLP C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000247788802 1124726122 /nfs/dbraw/zinc/72/61/22/1124726122.db2.gz YVSUEBDHBXWXPL-IFXJQAMLSA-N 2 2 356.857 4.275 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000247976063 1124734662 /nfs/dbraw/zinc/73/46/62/1124734662.db2.gz KXZPWBXTUFVOFW-DYESRHJHSA-N 2 2 373.541 4.203 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000247976063 1124734668 /nfs/dbraw/zinc/73/46/68/1124734668.db2.gz KXZPWBXTUFVOFW-DYESRHJHSA-N 2 2 373.541 4.203 20 0 FIADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc(Cl)c1F ZINC000248401104 1124761242 /nfs/dbraw/zinc/76/12/42/1124761242.db2.gz ROXKUHIGFIZBFD-GBESFXJTSA-N 2 2 368.924 4.288 20 0 FIADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@H]3CCSc4ccccc43)C2)cc1 ZINC000248744932 1124808131 /nfs/dbraw/zinc/80/81/31/1124808131.db2.gz FHYUHVLWIDXNBR-FPOVZHCZSA-N 2 2 368.546 4.104 20 0 FIADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@H]3CCSc4ccccc43)C2)cc1 ZINC000248744932 1124808135 /nfs/dbraw/zinc/80/81/35/1124808135.db2.gz FHYUHVLWIDXNBR-FPOVZHCZSA-N 2 2 368.546 4.104 20 0 FIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)[C@H]1c1cccs1 ZINC000248761464 1124811570 /nfs/dbraw/zinc/81/15/70/1124811570.db2.gz DNDWXLQZLKINLM-UTKZUKDTSA-N 2 2 366.534 4.311 20 0 FIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)[C@H]1c1cccs1 ZINC000248761464 1124811575 /nfs/dbraw/zinc/81/15/75/1124811575.db2.gz DNDWXLQZLKINLM-UTKZUKDTSA-N 2 2 366.534 4.311 20 0 FIADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Oc1cccc(Cl)c1 ZINC000090115869 1124983927 /nfs/dbraw/zinc/98/39/27/1124983927.db2.gz RBTGLUJZJINXKD-FVJLSDCUSA-N 2 2 373.928 4.003 20 0 FIADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Oc1cccc(Cl)c1 ZINC000090115869 1124983930 /nfs/dbraw/zinc/98/39/30/1124983930.db2.gz RBTGLUJZJINXKD-FVJLSDCUSA-N 2 2 373.928 4.003 20 0 FIADLP CC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccccc1C ZINC000090218907 1124989497 /nfs/dbraw/zinc/98/94/97/1124989497.db2.gz XDDPPWFBAPSZQU-KSEOMHKRSA-N 2 2 367.537 4.048 20 0 FIADLP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccccc1C ZINC000090218907 1124989500 /nfs/dbraw/zinc/98/95/00/1124989500.db2.gz XDDPPWFBAPSZQU-KSEOMHKRSA-N 2 2 367.537 4.048 20 0 FIADLP Cc1ccccc1[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000091287867 1125063234 /nfs/dbraw/zinc/06/32/34/1125063234.db2.gz RGWFSDYNTHMUEB-HSZRJFAPSA-N 2 2 350.506 4.068 20 0 FIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1nc2ccc(Cl)cc2n1C ZINC000091306975 1125063606 /nfs/dbraw/zinc/06/36/06/1125063606.db2.gz UNDLNFSSVRTVBH-CQSZACIVSA-N 2 2 365.868 4.263 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn(C(C)(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000093318654 1125298730 /nfs/dbraw/zinc/29/87/30/1125298730.db2.gz UMFVPQKAJOZYSR-NQIIRXRSSA-N 2 2 354.542 4.123 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn(C(C)(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000093318654 1125298735 /nfs/dbraw/zinc/29/87/35/1125298735.db2.gz UMFVPQKAJOZYSR-NQIIRXRSSA-N 2 2 354.542 4.123 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnn(C(C)(C)C)c2)CC[NH+]1Cc1ccccc1 ZINC000093318654 1125298740 /nfs/dbraw/zinc/29/87/40/1125298740.db2.gz UMFVPQKAJOZYSR-NQIIRXRSSA-N 2 2 354.542 4.123 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnn(C(C)(C)C)c2)CC[NH+]1Cc1ccccc1 ZINC000093318654 1125298747 /nfs/dbraw/zinc/29/87/47/1125298747.db2.gz UMFVPQKAJOZYSR-NQIIRXRSSA-N 2 2 354.542 4.123 20 0 FIADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000093318390 1125298896 /nfs/dbraw/zinc/29/88/96/1125298896.db2.gz YZBHEANQTZZULH-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000093318390 1125298899 /nfs/dbraw/zinc/29/88/99/1125298899.db2.gz YZBHEANQTZZULH-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000093318390 1125298903 /nfs/dbraw/zinc/29/89/03/1125298903.db2.gz YZBHEANQTZZULH-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000093318390 1125298907 /nfs/dbraw/zinc/29/89/07/1125298907.db2.gz YZBHEANQTZZULH-NQIIRXRSSA-N 2 2 368.521 4.189 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1nc2c(s1)CCCC2 ZINC000093404961 1125320901 /nfs/dbraw/zinc/32/09/01/1125320901.db2.gz LYMPQUANRVZUDW-MJGOQNOKSA-N 2 2 369.578 4.237 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1nc2c(s1)CCCC2 ZINC000093404961 1125320911 /nfs/dbraw/zinc/32/09/11/1125320911.db2.gz LYMPQUANRVZUDW-MJGOQNOKSA-N 2 2 369.578 4.237 20 0 FIADLP Brc1ccc(/C=C/CC[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000604998194 568508627 /nfs/dbraw/zinc/50/86/27/568508627.db2.gz JEQCETUHXKFQMR-OVMNBAEASA-N 2 2 363.343 4.413 20 0 FIADLP Brc1ccc(/C=C/CC[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000604998194 568508629 /nfs/dbraw/zinc/50/86/29/568508629.db2.gz JEQCETUHXKFQMR-OVMNBAEASA-N 2 2 363.343 4.413 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)s1 ZINC000390903018 568521296 /nfs/dbraw/zinc/52/12/96/568521296.db2.gz ITMJXXQAVHNZLC-RDJZCZTQSA-N 2 2 364.942 4.343 20 0 FIADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)s1 ZINC000390903018 568521297 /nfs/dbraw/zinc/52/12/97/568521297.db2.gz ITMJXXQAVHNZLC-RDJZCZTQSA-N 2 2 364.942 4.343 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1csc(Cl)c1 ZINC000390909650 568533575 /nfs/dbraw/zinc/53/35/75/568533575.db2.gz NOUMSKDDBDWEPD-QAPCUYQASA-N 2 2 364.942 4.343 20 0 FIADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000605085803 568559321 /nfs/dbraw/zinc/55/93/21/568559321.db2.gz KAQLXCUFOMLFDX-SFHVURJKSA-N 2 2 374.488 4.499 20 0 FIADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000605085803 568559322 /nfs/dbraw/zinc/55/93/22/568559322.db2.gz KAQLXCUFOMLFDX-SFHVURJKSA-N 2 2 374.488 4.499 20 0 FIADLP Cc1cc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000606156465 568676463 /nfs/dbraw/zinc/67/64/63/568676463.db2.gz RRHWLOYFLCLDJP-FXAWDEMLSA-N 2 2 350.510 4.152 20 0 FIADLP Cc1cc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000606156465 568676467 /nfs/dbraw/zinc/67/64/67/568676467.db2.gz RRHWLOYFLCLDJP-FXAWDEMLSA-N 2 2 350.510 4.152 20 0 FIADLP Cc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc(C(C)C)[nH+]1 ZINC001164995106 722192788 /nfs/dbraw/zinc/19/27/88/722192788.db2.gz RROXGCULJULDHO-QFIPXVFZSA-N 2 2 368.500 4.292 20 0 FIADLP Cc1nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc(C(C)C)[nH+]1 ZINC001164995106 722192791 /nfs/dbraw/zinc/19/27/91/722192791.db2.gz RROXGCULJULDHO-QFIPXVFZSA-N 2 2 368.500 4.292 20 0 FIADLP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc4c([nH+]2)CCCC4)C3)c1 ZINC001164994215 722197773 /nfs/dbraw/zinc/19/77/73/722197773.db2.gz LTNBBGPYNODDNX-HSZRJFAPSA-N 2 2 365.496 4.344 20 0 FIADLP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc4c([nH+]2)CCCC4)C3)c1 ZINC001164994215 722197775 /nfs/dbraw/zinc/19/77/75/722197775.db2.gz LTNBBGPYNODDNX-HSZRJFAPSA-N 2 2 365.496 4.344 20 0 FIADLP Clc1ccccc1SCCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670987495 1125506887 /nfs/dbraw/zinc/50/68/87/1125506887.db2.gz VKFUXLUFBDVCOO-QGZVFWFLSA-N 2 2 368.974 4.009 20 0 FIADLP Clc1ccccc1SCCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670987495 1125506891 /nfs/dbraw/zinc/50/68/91/1125506891.db2.gz VKFUXLUFBDVCOO-QGZVFWFLSA-N 2 2 368.974 4.009 20 0 FIADLP C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000152801025 1125656805 /nfs/dbraw/zinc/65/68/05/1125656805.db2.gz YYKNKRXTYCGJRQ-QZTJIDSGSA-N 2 2 364.468 4.189 20 0 FIADLP Clc1ccccc1-c1nc2c(s1)C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000579769990 1079645698 /nfs/dbraw/zinc/64/56/98/1079645698.db2.gz YABIIYFFHYPOKX-UHFFFAOYSA-N 2 2 358.898 4.108 20 0 FIADLP Clc1ccccc1-c1nc2c(s1)C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000579769990 1079645703 /nfs/dbraw/zinc/64/57/03/1079645703.db2.gz YABIIYFFHYPOKX-UHFFFAOYSA-N 2 2 358.898 4.108 20 0 FIADLP Cc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1Cl ZINC000180425743 1080498755 /nfs/dbraw/zinc/49/87/55/1080498755.db2.gz CQJAZWLFJOXYJH-UHFFFAOYSA-N 2 2 357.929 4.182 20 0 FIADLP Cc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1Cl ZINC000180425743 1080498760 /nfs/dbraw/zinc/49/87/60/1080498760.db2.gz CQJAZWLFJOXYJH-UHFFFAOYSA-N 2 2 357.929 4.182 20 0 FIADLP CC(C)Oc1ccccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000236669277 1080883874 /nfs/dbraw/zinc/88/38/74/1080883874.db2.gz BEZKCDIJKCCAEU-UHFFFAOYSA-N 2 2 352.522 4.271 20 0 FIADLP CC[NH+](Cc1cccs1)CC1(C[N@H+](CC)Cc2cccs2)COC1 ZINC000579901736 1080908954 /nfs/dbraw/zinc/90/89/54/1080908954.db2.gz FZQVUYFBTIJMHU-UHFFFAOYSA-N 2 2 364.580 4.170 20 0 FIADLP CC[NH+](Cc1cccs1)CC1(C[N@@H+](CC)Cc2cccs2)COC1 ZINC000579901736 1080908955 /nfs/dbraw/zinc/90/89/55/1080908955.db2.gz FZQVUYFBTIJMHU-UHFFFAOYSA-N 2 2 364.580 4.170 20 0 FIADLP Cc1nc(-c2ccc([C@@H](C)[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)cs1 ZINC000655698785 1081124710 /nfs/dbraw/zinc/12/47/10/1081124710.db2.gz VVODVZYOYUFFKK-FOIQADDNSA-N 2 2 371.550 4.022 20 0 FIADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655708023 1081133511 /nfs/dbraw/zinc/13/35/11/1081133511.db2.gz HUBOQLAEDURXAT-MOPGFXCFSA-N 2 2 370.459 4.245 20 0 FIADLP CCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000655724120 1081139364 /nfs/dbraw/zinc/13/93/64/1081139364.db2.gz VVTHOZDSDHFUGT-FXAWDEMLSA-N 2 2 352.469 4.039 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000655736154 1081153399 /nfs/dbraw/zinc/15/33/99/1081153399.db2.gz MYPVDQJHQJKUDU-GAJHUEQPSA-N 2 2 368.496 4.397 20 0 FIADLP Clc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1Cl ZINC000655764042 1081180608 /nfs/dbraw/zinc/18/06/08/1081180608.db2.gz VDUYAVOILBRLIO-XIRDDKMYSA-N 2 2 369.336 4.082 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)no1 ZINC000548159700 1082479263 /nfs/dbraw/zinc/47/92/63/1082479263.db2.gz JRHZFZDXUPTIHO-AVRDEDQJSA-N 2 2 361.489 4.342 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)no1 ZINC000548159700 1082479265 /nfs/dbraw/zinc/47/92/65/1082479265.db2.gz JRHZFZDXUPTIHO-AVRDEDQJSA-N 2 2 361.489 4.342 20 0 FIADLP CC(C)Oc1ncccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647171454 1082777185 /nfs/dbraw/zinc/77/71/85/1082777185.db2.gz KVSCSZNTHABYCN-NRFANRHFSA-N 2 2 365.521 4.156 20 0 FIADLP CC(C)Oc1ncccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647171454 1082777192 /nfs/dbraw/zinc/77/71/92/1082777192.db2.gz KVSCSZNTHABYCN-NRFANRHFSA-N 2 2 365.521 4.156 20 0 FIADLP CCC[NH+]1CCC([N@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000510467053 1082915856 /nfs/dbraw/zinc/91/58/56/1082915856.db2.gz FYMOTNGCGNHXHH-UHFFFAOYSA-N 2 2 374.960 4.449 20 0 FIADLP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000510467053 1082915861 /nfs/dbraw/zinc/91/58/61/1082915861.db2.gz FYMOTNGCGNHXHH-UHFFFAOYSA-N 2 2 374.960 4.449 20 0 FIADLP c1sc(-c2ccccc2)nc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000084489099 1083024215 /nfs/dbraw/zinc/02/42/15/1083024215.db2.gz UIRIJSKPTMDRCG-IBGZPJMESA-N 2 2 363.530 4.422 20 0 FIADLP c1sc(-c2ccccc2)nc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000084489099 1083024224 /nfs/dbraw/zinc/02/42/24/1083024224.db2.gz UIRIJSKPTMDRCG-IBGZPJMESA-N 2 2 363.530 4.422 20 0 FIADLP Cc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(C)n1 ZINC000684557880 1083348747 /nfs/dbraw/zinc/34/87/47/1083348747.db2.gz OOCRQMINMJEIRI-ODIFPOPNSA-N 2 2 355.448 4.154 20 0 FIADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)c1C ZINC000658227114 1083360868 /nfs/dbraw/zinc/36/08/68/1083360868.db2.gz QWNHMJDFAPDSCG-PKOBYXMFSA-N 2 2 357.542 4.017 20 0 FIADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)c1C ZINC000658227114 1083360874 /nfs/dbraw/zinc/36/08/74/1083360874.db2.gz QWNHMJDFAPDSCG-PKOBYXMFSA-N 2 2 357.542 4.017 20 0 FIADLP CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1)C1CC1 ZINC000510900910 1083369912 /nfs/dbraw/zinc/36/99/12/1083369912.db2.gz UESUYBXYKNVUAS-UHFFFAOYSA-N 2 2 360.461 4.109 20 0 FIADLP CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1)C1CC1 ZINC000510900910 1083369923 /nfs/dbraw/zinc/36/99/23/1083369923.db2.gz UESUYBXYKNVUAS-UHFFFAOYSA-N 2 2 360.461 4.109 20 0 FIADLP CCCCCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000658291686 1083395761 /nfs/dbraw/zinc/39/57/61/1083395761.db2.gz DNHZVFAWCQENPT-RXVVDRJESA-N 2 2 360.542 4.160 20 0 FIADLP Cc1cccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2cccc(F)c2)c1 ZINC000658295314 1083397372 /nfs/dbraw/zinc/39/73/72/1083397372.db2.gz LVBZFKZKKSAKJC-GOTSBHOMSA-N 2 2 368.496 4.066 20 0 FIADLP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000535837419 1083793569 /nfs/dbraw/zinc/79/35/69/1083793569.db2.gz DYUUPJSSFHRIEJ-JOCHJYFZSA-N 2 2 366.553 4.019 20 0 FIADLP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000535837419 1083793577 /nfs/dbraw/zinc/79/35/77/1083793577.db2.gz DYUUPJSSFHRIEJ-JOCHJYFZSA-N 2 2 366.553 4.019 20 0 FIADLP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccccc3Br)CC2)[nH+]c1 ZINC000163469369 1083999793 /nfs/dbraw/zinc/99/97/93/1083999793.db2.gz QWHMKYKCNVOVOR-HNNXBMFYSA-N 2 2 374.326 4.472 20 0 FIADLP COC(=O)c1coc([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510997533 1084071658 /nfs/dbraw/zinc/07/16/58/1084071658.db2.gz VJVREQJFSMOAEF-UZLBHIALSA-N 2 2 370.493 4.018 20 0 FIADLP COC(=O)c1coc([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510997533 1084071666 /nfs/dbraw/zinc/07/16/66/1084071666.db2.gz VJVREQJFSMOAEF-UZLBHIALSA-N 2 2 370.493 4.018 20 0 FIADLP COCCC[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511053290 1084422296 /nfs/dbraw/zinc/42/22/96/1084422296.db2.gz FMNGWNNFYBRWMW-AJSBUHFISA-N 2 2 352.522 4.059 20 0 FIADLP COCCC[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511053290 1084422301 /nfs/dbraw/zinc/42/23/01/1084422301.db2.gz FMNGWNNFYBRWMW-AJSBUHFISA-N 2 2 352.522 4.059 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCOc3cc4c(cc31)CCC4)CCC2 ZINC000431337481 1084513607 /nfs/dbraw/zinc/51/36/07/1084513607.db2.gz NMFSSJSKWCSAFL-ICSRJNTNSA-N 2 2 351.494 4.061 20 0 FIADLP CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CO1 ZINC000657351868 1084690814 /nfs/dbraw/zinc/69/08/14/1084690814.db2.gz HBEMNTOJSGUYJS-YADHBBJMSA-N 2 2 361.489 4.256 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000657383051 1084821962 /nfs/dbraw/zinc/82/19/62/1084821962.db2.gz VAOJDTZAOXOUAO-OAHLLOKOSA-N 2 2 351.425 4.403 20 0 FIADLP Fc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1OC(F)F ZINC000657383410 1084832601 /nfs/dbraw/zinc/83/26/01/1084832601.db2.gz ICLNPZOSUUCKOD-UHFFFAOYSA-N 2 2 356.432 4.314 20 0 FIADLP CC1(C)CC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cc(Br)ccc21 ZINC000582330766 1084878242 /nfs/dbraw/zinc/87/82/42/1084878242.db2.gz LCYNAUSORJFJCH-XJKSGUPXSA-N 2 2 374.326 4.432 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657412602 1084951094 /nfs/dbraw/zinc/95/10/94/1084951094.db2.gz NNDNHUXKYPTYJQ-OAHLLOKOSA-N 2 2 352.507 4.007 20 0 FIADLP CCSc1cc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)ccn1 ZINC000187796688 1084972548 /nfs/dbraw/zinc/97/25/48/1084972548.db2.gz ZUWABBKSSFHSCU-UHFFFAOYSA-N 2 2 373.541 4.129 20 0 FIADLP C[NH+](C)Cc1cccc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c1 ZINC000684865277 1084981970 /nfs/dbraw/zinc/98/19/70/1084981970.db2.gz WTQITUCMQVRYAI-UHFFFAOYSA-N 2 2 374.488 4.200 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)C[Si](C)(C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001167573926 1084994216 /nfs/dbraw/zinc/99/42/16/1084994216.db2.gz ZVVUSXDTWIVSQH-IRLDBZIGSA-N 2 2 366.625 4.126 20 0 FIADLP C[C@@H]1C[C@@H]([NH+](C)C[Si](C)(C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001167573926 1084994217 /nfs/dbraw/zinc/99/42/17/1084994217.db2.gz ZVVUSXDTWIVSQH-IRLDBZIGSA-N 2 2 366.625 4.126 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+](C)C[Si](C)(C)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001167573926 1084994223 /nfs/dbraw/zinc/99/42/23/1084994223.db2.gz ZVVUSXDTWIVSQH-IRLDBZIGSA-N 2 2 366.625 4.126 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+](C)C[Si](C)(C)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001167573926 1084994226 /nfs/dbraw/zinc/99/42/26/1084994226.db2.gz ZVVUSXDTWIVSQH-IRLDBZIGSA-N 2 2 366.625 4.126 20 0 FIADLP Cc1[nH]c(C[N@@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c(C)[nH+]1 ZINC001167575954 1085025198 /nfs/dbraw/zinc/02/51/98/1085025198.db2.gz JUTXRFHGKDUPET-AWEZNQCLSA-N 2 2 354.281 4.377 20 0 FIADLP Cc1[nH]c(C[N@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c(C)[nH+]1 ZINC001167575954 1085025206 /nfs/dbraw/zinc/02/52/06/1085025206.db2.gz JUTXRFHGKDUPET-AWEZNQCLSA-N 2 2 354.281 4.377 20 0 FIADLP Cc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc(OC(F)(F)F)c1 ZINC001143470719 1085068522 /nfs/dbraw/zinc/06/85/22/1085068522.db2.gz BRHHFOSDJXEQJP-INIZCTEOSA-N 2 2 366.383 4.250 20 0 FIADLP C[NH+](C)Cc1cc(C[NH2+]Cc2ccc(Sc3ccccn3)o2)ccc1F ZINC000511143103 1085077422 /nfs/dbraw/zinc/07/74/22/1085077422.db2.gz GBFCUGWRXDUXEJ-UHFFFAOYSA-N 2 2 371.481 4.316 20 0 FIADLP Fc1ccc(Oc2ccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cn2)cc1 ZINC000657458022 1085110640 /nfs/dbraw/zinc/11/06/40/1085110640.db2.gz VSEYVMJFQJTHSM-UHFFFAOYSA-N 2 2 355.457 4.120 20 0 FIADLP c1ccc(C[NH2+]C2CC[NH+](CCc3nsc4ccccc34)CC2)cc1 ZINC000660679524 1085215817 /nfs/dbraw/zinc/21/58/17/1085215817.db2.gz MPZNGQBRZJNFNQ-UHFFFAOYSA-N 2 2 351.519 4.093 20 0 FIADLP Brc1cccc2c(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)csc21 ZINC000563438971 1085400692 /nfs/dbraw/zinc/40/06/92/1085400692.db2.gz DGWHSBFUZQJVEM-NSHDSACASA-N 2 2 362.296 4.034 20 0 FIADLP Cc1ccc(-c2nc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cs2)cc1 ZINC000663345529 1086446519 /nfs/dbraw/zinc/44/65/19/1086446519.db2.gz KJAAZBAITNFWIR-SFHVURJKSA-N 2 2 355.551 4.330 20 0 FIADLP Cc1ccc(-c2nc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cs2)cc1 ZINC000663345529 1086446524 /nfs/dbraw/zinc/44/65/24/1086446524.db2.gz KJAAZBAITNFWIR-SFHVURJKSA-N 2 2 355.551 4.330 20 0 FIADLP Fc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c2cccnc2)cc1 ZINC000663465496 1086565418 /nfs/dbraw/zinc/56/54/18/1086565418.db2.gz KFLKCHVGOGTMHG-PGRDOPGGSA-N 2 2 353.485 4.022 20 0 FIADLP Fc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c2cccnc2)cc1 ZINC000663465496 1086565428 /nfs/dbraw/zinc/56/54/28/1086565428.db2.gz KFLKCHVGOGTMHG-PGRDOPGGSA-N 2 2 353.485 4.022 20 0 FIADLP c1cn(-c2ccccc2-c2noc([C@H]3CC[C@H](c4ccccc4)C[NH2+]3)n2)c[nH+]1 ZINC001211577027 1086613533 /nfs/dbraw/zinc/61/35/33/1086613533.db2.gz MKKKEBZKVSZPGX-PKOBYXMFSA-N 2 2 371.444 4.131 20 0 FIADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](Cc2ccccc2)c2cccs2)s1 ZINC000512026504 1086663929 /nfs/dbraw/zinc/66/39/29/1086663929.db2.gz REHOIQRAWPENHT-QGZVFWFLSA-N 2 2 357.548 4.340 20 0 FIADLP COc1cccc(C([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccc(OC)c2)c1 ZINC000166769190 1086725459 /nfs/dbraw/zinc/72/54/59/1086725459.db2.gz VMALNMCEJBZWQI-WOJBJXKFSA-N 2 2 366.505 4.010 20 0 FIADLP COc1cccc(C([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccc(OC)c2)c1 ZINC000166769190 1086725462 /nfs/dbraw/zinc/72/54/62/1086725462.db2.gz VMALNMCEJBZWQI-WOJBJXKFSA-N 2 2 366.505 4.010 20 0 FIADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CCCO1 ZINC000432423362 1086751661 /nfs/dbraw/zinc/75/16/61/1086751661.db2.gz JMMDHQOAFHNGTO-XMSQKQJNSA-N 2 2 356.485 4.006 20 0 FIADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CCCO1 ZINC000432423362 1086751674 /nfs/dbraw/zinc/75/16/74/1086751674.db2.gz JMMDHQOAFHNGTO-XMSQKQJNSA-N 2 2 356.485 4.006 20 0 FIADLP Fc1ccc(/C=C/C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1F ZINC000512108207 1086777586 /nfs/dbraw/zinc/77/75/86/1086777586.db2.gz SRGLZNQJJJZFGP-QPJJXVBHSA-N 2 2 353.416 4.055 20 0 FIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cccc2Br ZINC000318604295 1086844681 /nfs/dbraw/zinc/84/46/81/1086844681.db2.gz ADYYMNLZUDYGGW-IAGOWNOFSA-N 2 2 362.315 4.337 20 0 FIADLP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCn2cc[nH+]c2)CCC3)cc1 ZINC000151115968 1086929859 /nfs/dbraw/zinc/92/98/59/1086929859.db2.gz CVWCGGLQOLKXOY-KRWDZBQOSA-N 2 2 352.507 4.372 20 0 FIADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(OC)c(OC)c1 ZINC000151328109 1087089329 /nfs/dbraw/zinc/08/93/29/1087089329.db2.gz NGHAECXBVABEBC-HXUWFJFHSA-N 2 2 365.477 4.190 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(OC(F)F)cc1 ZINC000151353530 1087094703 /nfs/dbraw/zinc/09/47/03/1087094703.db2.gz DZAWZZUZDCBAPS-OAHLLOKOSA-N 2 2 357.404 4.384 20 0 FIADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974190 1087290284 /nfs/dbraw/zinc/29/02/84/1087290284.db2.gz QINWVJWLMPBRCD-OCCSQVGLSA-N 2 2 357.845 4.054 20 0 FIADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974190 1087290294 /nfs/dbraw/zinc/29/02/94/1087290294.db2.gz QINWVJWLMPBRCD-OCCSQVGLSA-N 2 2 357.845 4.054 20 0 FIADLP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000089697261 1087391299 /nfs/dbraw/zinc/39/12/99/1087391299.db2.gz DBFXAFNQJCBICB-INIZCTEOSA-N 2 2 368.706 4.356 20 0 FIADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1cc2ccncc2s1 ZINC000657861516 1087414003 /nfs/dbraw/zinc/41/40/03/1087414003.db2.gz IOAPEABXYUEJBR-ZFWWWQNUSA-N 2 2 354.523 4.456 20 0 FIADLP Brc1ccc2[nH+]ccc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000091480032 1087429888 /nfs/dbraw/zinc/42/98/88/1087429888.db2.gz LSNFUZFPXAMKJY-GFCCVEGCSA-N 2 2 357.255 4.104 20 0 FIADLP CC[N@@H+](Cc1cnc(C2CC2)s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818849 1087691488 /nfs/dbraw/zinc/69/14/88/1087691488.db2.gz DLKYTLBYYLMKEA-GOSISDBHSA-N 2 2 355.551 4.365 20 0 FIADLP CC[N@H+](Cc1cnc(C2CC2)s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818849 1087691492 /nfs/dbraw/zinc/69/14/92/1087691492.db2.gz DLKYTLBYYLMKEA-GOSISDBHSA-N 2 2 355.551 4.365 20 0 FIADLP CC[NH+](Cc1cnc(C2CC2)s1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818849 1087691496 /nfs/dbraw/zinc/69/14/96/1087691496.db2.gz DLKYTLBYYLMKEA-GOSISDBHSA-N 2 2 355.551 4.365 20 0 FIADLP CC[NH+](Cc1cnc(C2CC2)s1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818849 1087691497 /nfs/dbraw/zinc/69/14/97/1087691497.db2.gz DLKYTLBYYLMKEA-GOSISDBHSA-N 2 2 355.551 4.365 20 0 FIADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)c(Cl)c1 ZINC000658018825 1087699483 /nfs/dbraw/zinc/69/94/83/1087699483.db2.gz GEXQIAJGAQHZRJ-KOLCDFICSA-N 2 2 354.679 4.034 20 0 FIADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccccc1Sc1ccccc1 ZINC000424337495 1087924044 /nfs/dbraw/zinc/92/40/44/1087924044.db2.gz SBQXPNVXUGVBCY-CGTJXYLNSA-N 2 2 369.534 4.024 20 0 FIADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1)CC2 ZINC000423235619 1088077009 /nfs/dbraw/zinc/07/70/09/1088077009.db2.gz GSQCLFSZUWJBPK-PMACEKPBSA-N 2 2 354.494 4.104 20 0 FIADLP COc1ccccc1-c1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000685933034 1088232784 /nfs/dbraw/zinc/23/27/84/1088232784.db2.gz LIZRAYPSWDURIW-MRXNPFEDSA-N 2 2 374.444 4.387 20 0 FIADLP c1c[nH]c([C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C2CCCCC2)n1 ZINC000514089652 1088733128 /nfs/dbraw/zinc/73/31/28/1088733128.db2.gz QLWFEAQEJDHGGG-OAQYLSRUSA-N 2 2 363.509 4.108 20 0 FIADLP Cc1cc2[nH]c(C[NH+]3CC[C@@H](C[N@@H+](C)Cc4cccnc4)C3)cc2c(C)c1 ZINC000434637879 1088910052 /nfs/dbraw/zinc/91/00/52/1088910052.db2.gz PNGXJJKZCSWTLI-FQEVSTJZSA-N 2 2 362.521 4.134 20 0 FIADLP Cc1cc2[nH]c(C[NH+]3CC[C@@H](C[N@H+](C)Cc4cccnc4)C3)cc2c(C)c1 ZINC000434637879 1088910053 /nfs/dbraw/zinc/91/00/53/1088910053.db2.gz PNGXJJKZCSWTLI-FQEVSTJZSA-N 2 2 362.521 4.134 20 0 FIADLP Cc1cc2[nH]c(C[N@H+]3CC[C@@H](C[NH+](C)Cc4cccnc4)C3)cc2c(C)c1 ZINC000434637879 1088910054 /nfs/dbraw/zinc/91/00/54/1088910054.db2.gz PNGXJJKZCSWTLI-FQEVSTJZSA-N 2 2 362.521 4.134 20 0 FIADLP Cc1cc2[nH]c(C[N@@H+]3CC[C@@H](C[NH+](C)Cc4cccnc4)C3)cc2c(C)c1 ZINC000434637879 1088910056 /nfs/dbraw/zinc/91/00/56/1088910056.db2.gz PNGXJJKZCSWTLI-FQEVSTJZSA-N 2 2 362.521 4.134 20 0 FIADLP C[C@H]([NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414855399 1089054764 /nfs/dbraw/zinc/05/47/64/1089054764.db2.gz NCUFHNQTMJLILI-GXTWGEPZSA-N 2 2 369.456 4.307 20 0 FIADLP Fc1cc(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415087515 1089145753 /nfs/dbraw/zinc/14/57/53/1089145753.db2.gz UUXFAPIDXYZTJA-QZTJIDSGSA-N 2 2 363.274 4.171 20 0 FIADLP C[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435375861 1089568717 /nfs/dbraw/zinc/56/87/17/1089568717.db2.gz OMCIOMIYQARCLD-YOFSQIOKSA-N 2 2 371.912 4.029 20 0 FIADLP C[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435375861 1089568730 /nfs/dbraw/zinc/56/87/30/1089568730.db2.gz OMCIOMIYQARCLD-YOFSQIOKSA-N 2 2 371.912 4.029 20 0 FIADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000435369711 1089575773 /nfs/dbraw/zinc/57/57/73/1089575773.db2.gz GGYDZCDSYZFTPJ-QWRGUYRKSA-N 2 2 356.322 4.286 20 0 FIADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000435369711 1089575781 /nfs/dbraw/zinc/57/57/81/1089575781.db2.gz GGYDZCDSYZFTPJ-QWRGUYRKSA-N 2 2 356.322 4.286 20 0 FIADLP CC(C)n1c[nH+]cc1CN(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000425377747 1089640958 /nfs/dbraw/zinc/64/09/58/1089640958.db2.gz HYHLEJXPELHXNV-UHFFFAOYSA-N 2 2 368.447 4.047 20 0 FIADLP CC(C)Oc1cccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435427550 1089644709 /nfs/dbraw/zinc/64/47/09/1089644709.db2.gz NMFIXKLHFHSFLM-LJQANCHMSA-N 2 2 371.550 4.075 20 0 FIADLP CC(C)Oc1cccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435427550 1089644715 /nfs/dbraw/zinc/64/47/15/1089644715.db2.gz NMFIXKLHFHSFLM-LJQANCHMSA-N 2 2 371.550 4.075 20 0 FIADLP CC(C)c1cnc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000435430120 1089648302 /nfs/dbraw/zinc/64/83/02/1089648302.db2.gz YIJGXQGXCRIESM-KRWDZBQOSA-N 2 2 361.580 4.472 20 0 FIADLP CC(C)c1cnc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000435430120 1089648314 /nfs/dbraw/zinc/64/83/14/1089648314.db2.gz YIJGXQGXCRIESM-KRWDZBQOSA-N 2 2 361.580 4.472 20 0 FIADLP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)NC(=O)OC(C)(C)C ZINC000312222402 1090433715 /nfs/dbraw/zinc/43/37/15/1090433715.db2.gz ZTOUBYCJHOIVAH-VQIMIIECSA-N 2 2 372.513 4.072 20 0 FIADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000185224797 1090522013 /nfs/dbraw/zinc/52/20/13/1090522013.db2.gz RRKPEGQMILVQCX-LBPRGKRZSA-N 2 2 373.310 4.209 20 0 FIADLP C[C@H](Cc1ccccc1F)[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000188373300 1090912263 /nfs/dbraw/zinc/91/22/63/1090912263.db2.gz KXAONLGRUUJEQD-QGZVFWFLSA-N 2 2 355.501 4.399 20 0 FIADLP c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390565128 1091261413 /nfs/dbraw/zinc/26/14/13/1091261413.db2.gz NLWZACIMZCKUGP-ICSRJNTNSA-N 2 2 356.535 4.006 20 0 FIADLP c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390565128 1091261420 /nfs/dbraw/zinc/26/14/20/1091261420.db2.gz NLWZACIMZCKUGP-ICSRJNTNSA-N 2 2 356.535 4.006 20 0 FIADLP c1cc2c(s1)CCC[C@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390565131 1091261460 /nfs/dbraw/zinc/26/14/60/1091261460.db2.gz NLWZACIMZCKUGP-UYAOXDASSA-N 2 2 356.535 4.006 20 0 FIADLP c1cc2c(s1)CCC[C@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390565131 1091261464 /nfs/dbraw/zinc/26/14/64/1091261464.db2.gz NLWZACIMZCKUGP-UYAOXDASSA-N 2 2 356.535 4.006 20 0 FIADLP Brc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000193978710 1091339121 /nfs/dbraw/zinc/33/91/21/1091339121.db2.gz ZJXSXEDOQITCQM-LJQANCHMSA-N 2 2 368.278 4.412 20 0 FIADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000511738808 1091582458 /nfs/dbraw/zinc/58/24/58/1091582458.db2.gz QXUUQHWWHYFNFB-KRWDZBQOSA-N 2 2 359.539 4.283 20 0 FIADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000511738808 1091582463 /nfs/dbraw/zinc/58/24/63/1091582463.db2.gz QXUUQHWWHYFNFB-KRWDZBQOSA-N 2 2 359.539 4.283 20 0 FIADLP Fc1ccc2[nH]cc(CCC[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)c2c1 ZINC000500472468 1092107644 /nfs/dbraw/zinc/10/76/44/1092107644.db2.gz TZQIXMZIPRESCP-UHFFFAOYSA-N 2 2 354.454 4.277 20 0 FIADLP Fc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000500478048 1092113549 /nfs/dbraw/zinc/11/35/49/1092113549.db2.gz FBOQPAMMVANQFC-UHFFFAOYSA-N 2 2 361.873 4.411 20 0 FIADLP CCCCCOc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1OC ZINC000512365228 1092163790 /nfs/dbraw/zinc/16/37/90/1092163790.db2.gz UTGGYCCQIMITIB-UHFFFAOYSA-N 2 2 357.498 4.367 20 0 FIADLP CC1CC[NH+](CCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168011799 1092229036 /nfs/dbraw/zinc/22/90/36/1092229036.db2.gz SOLNAINOZJSUCL-IUTQVRIDSA-N 3 2 357.586 4.140 20 0 FIADLP CC1CC[NH+](CCC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168011799 1092229051 /nfs/dbraw/zinc/22/90/51/1092229051.db2.gz SOLNAINOZJSUCL-IUTQVRIDSA-N 3 2 357.586 4.140 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)CCC(=O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000512431983 1092313084 /nfs/dbraw/zinc/31/30/84/1092313084.db2.gz CJAWHIRDDDLSLY-AVRDEDQJSA-N 2 2 368.496 4.383 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)CCC(=O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000512431983 1092313099 /nfs/dbraw/zinc/31/30/99/1092313099.db2.gz CJAWHIRDDDLSLY-AVRDEDQJSA-N 2 2 368.496 4.383 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)c2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000512431983 1092313113 /nfs/dbraw/zinc/31/31/13/1092313113.db2.gz CJAWHIRDDDLSLY-AVRDEDQJSA-N 2 2 368.496 4.383 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)c2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000512431983 1092313128 /nfs/dbraw/zinc/31/31/28/1092313128.db2.gz CJAWHIRDDDLSLY-AVRDEDQJSA-N 2 2 368.496 4.383 20 0 FIADLP Cc1cc(C(F)(F)F)cc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)[nH+]1 ZINC000663854045 1092772105 /nfs/dbraw/zinc/77/21/05/1092772105.db2.gz NPWDWLXJZPYNTN-UHFFFAOYSA-N 2 2 364.415 4.326 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000549820686 1092847752 /nfs/dbraw/zinc/84/77/52/1092847752.db2.gz HNWVYBLSOKULGQ-FQEVSTJZSA-N 2 2 370.859 4.300 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000549820686 1092847755 /nfs/dbraw/zinc/84/77/55/1092847755.db2.gz HNWVYBLSOKULGQ-FQEVSTJZSA-N 2 2 370.859 4.300 20 0 FIADLP COc1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1O ZINC000521695267 1092861526 /nfs/dbraw/zinc/86/15/26/1092861526.db2.gz NSBNLLLBHPRCSH-YLJYHZDGSA-N 2 2 365.477 4.306 20 0 FIADLP C[N@@H+](Cc1ccc(Br)s1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000544350613 1092987321 /nfs/dbraw/zinc/98/73/21/1092987321.db2.gz JIKAVDNBVCJZBN-UHFFFAOYSA-N 2 2 368.325 4.390 20 0 FIADLP C[N@H+](Cc1ccc(Br)s1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000544350613 1092987323 /nfs/dbraw/zinc/98/73/23/1092987323.db2.gz JIKAVDNBVCJZBN-UHFFFAOYSA-N 2 2 368.325 4.390 20 0 FIADLP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1cccc(Cl)c1 ZINC000522003907 1093031216 /nfs/dbraw/zinc/03/12/16/1093031216.db2.gz JTPIUDJNILBRJS-HXUWFJFHSA-N 2 2 355.869 4.311 20 0 FIADLP Fc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000512647688 1093069740 /nfs/dbraw/zinc/06/97/40/1093069740.db2.gz JFOAYSUHVAYMMQ-SFHVURJKSA-N 2 2 363.358 4.420 20 0 FIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCC(F)(F)CC1 ZINC000474073818 1093188376 /nfs/dbraw/zinc/18/83/76/1093188376.db2.gz PKKFIISLUWYLJI-HOTGVXAUSA-N 2 2 351.485 4.411 20 0 FIADLP CCOC(=O)c1ccc(-c2ccc(C[NH2+]C3CC[NH+](C(C)C)CC3)o2)cc1 ZINC000614238690 1093272654 /nfs/dbraw/zinc/27/26/54/1093272654.db2.gz JYUDLZHMCDVDTQ-UHFFFAOYSA-N 2 2 370.493 4.086 20 0 FIADLP COc1ccc(C2CCC([NH2+]C[C@@H]3CCCn4cc(C)[nH+]c43)CC2)cc1 ZINC000544357254 1093274037 /nfs/dbraw/zinc/27/40/37/1093274037.db2.gz ZHLWGVGWEMWXIQ-SYYJFZTOSA-N 2 2 353.510 4.394 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2COc3ccc(F)cc32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168023362 1093355682 /nfs/dbraw/zinc/35/56/82/1093355682.db2.gz VTZOWBMSYLXUOO-MNDZRTMASA-N 2 2 354.469 4.290 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2COc3ccc(F)cc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023362 1093355689 /nfs/dbraw/zinc/35/56/89/1093355689.db2.gz VTZOWBMSYLXUOO-MNDZRTMASA-N 2 2 354.469 4.290 20 0 FIADLP Fc1ccc(Br)c(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000544183289 1093511539 /nfs/dbraw/zinc/51/15/39/1093511539.db2.gz GKTNOPOXCQTDRY-UHFFFAOYSA-N 2 2 366.259 4.125 20 0 FIADLP Clc1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000655682944 1093585561 /nfs/dbraw/zinc/58/55/61/1093585561.db2.gz NVTDXVLIYWORRG-VXKWHMMOSA-N 2 2 370.924 4.272 20 0 FIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(-c3cc[nH]n3)o2)c(C)c1 ZINC000433335519 1093593659 /nfs/dbraw/zinc/59/36/59/1093593659.db2.gz QAVJWRPMMWBODW-HXUWFJFHSA-N 2 2 361.449 4.014 20 0 FIADLP CCc1cccc(Cl)c1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000474354149 1093706559 /nfs/dbraw/zinc/70/65/59/1093706559.db2.gz NQWXOMLPSLSAOX-UHFFFAOYSA-N 2 2 358.913 4.024 20 0 FIADLP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccco1 ZINC000513078920 1093780812 /nfs/dbraw/zinc/78/08/12/1093780812.db2.gz XNNNSPANOYARGD-KSEOMHKRSA-N 2 2 369.553 4.305 20 0 FIADLP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccco1 ZINC000513078920 1093780818 /nfs/dbraw/zinc/78/08/18/1093780818.db2.gz XNNNSPANOYARGD-KSEOMHKRSA-N 2 2 369.553 4.305 20 0 FIADLP Fc1ccc2occ(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)c2c1 ZINC001141854550 1093788256 /nfs/dbraw/zinc/78/82/56/1093788256.db2.gz GSRMNTHWLQFDPA-QZTJIDSGSA-N 2 2 350.437 4.136 20 0 FIADLP CC(C)Oc1ccnc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168035249 1093804818 /nfs/dbraw/zinc/80/48/18/1093804818.db2.gz RZHZSNDDDORYRC-CEQLMSFQSA-N 2 2 367.537 4.400 20 0 FIADLP CC(C)Oc1ccnc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168035249 1093804829 /nfs/dbraw/zinc/80/48/29/1093804829.db2.gz RZHZSNDDDORYRC-CEQLMSFQSA-N 2 2 367.537 4.400 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513226146 1094020674 /nfs/dbraw/zinc/02/06/74/1094020674.db2.gz HKPVNBQHCPFUOJ-GCJKJVERSA-N 3 2 369.528 4.030 20 0 FIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000513226146 1094020680 /nfs/dbraw/zinc/02/06/80/1094020680.db2.gz HKPVNBQHCPFUOJ-GCJKJVERSA-N 3 2 369.528 4.030 20 0 FIADLP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513419243 1094107023 /nfs/dbraw/zinc/10/70/23/1094107023.db2.gz GFSIKWLGYCYUCL-SFHVURJKSA-N 2 2 370.516 4.304 20 0 FIADLP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513419243 1094107024 /nfs/dbraw/zinc/10/70/24/1094107024.db2.gz GFSIKWLGYCYUCL-SFHVURJKSA-N 2 2 370.516 4.304 20 0 FIADLP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000513414313 1094113544 /nfs/dbraw/zinc/11/35/44/1094113544.db2.gz CYILOWLFTVJRES-KRWDZBQOSA-N 2 2 358.555 4.226 20 0 FIADLP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000513414313 1094113546 /nfs/dbraw/zinc/11/35/46/1094113546.db2.gz CYILOWLFTVJRES-KRWDZBQOSA-N 2 2 358.555 4.226 20 0 FIADLP COC1CC[NH+](C(C)(C)C[NH2+]C/C(C)=C\c2ccc(Cl)cc2)CC1 ZINC000513545372 1094205831 /nfs/dbraw/zinc/20/58/31/1094205831.db2.gz QCZZHTZFTVYWMW-SSZFMOIBSA-N 2 2 350.934 4.222 20 0 FIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC000513589605 1094226940 /nfs/dbraw/zinc/22/69/40/1094226940.db2.gz YISDMSIWLARHLT-OZQHCQBDSA-N 2 2 368.521 4.302 20 0 FIADLP Cc1ccc2[nH]c(C[N@H+](C)C[C@@H]3CC[NH+](C)[C@H]3c3cccnc3)cc2c1C ZINC000434010187 1094235062 /nfs/dbraw/zinc/23/50/62/1094235062.db2.gz FOVWBNZXNWVLCX-CVDCTZTESA-N 2 2 362.521 4.305 20 0 FIADLP Cc1ccc2[nH]c(C[N@@H+](C)C[C@@H]3CC[NH+](C)[C@H]3c3cccnc3)cc2c1C ZINC000434010187 1094235067 /nfs/dbraw/zinc/23/50/67/1094235067.db2.gz FOVWBNZXNWVLCX-CVDCTZTESA-N 2 2 362.521 4.305 20 0 FIADLP Cc1ccc2[nH]c(C[NH+](C)C[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)cc2c1C ZINC000434010187 1094235072 /nfs/dbraw/zinc/23/50/72/1094235072.db2.gz FOVWBNZXNWVLCX-CVDCTZTESA-N 2 2 362.521 4.305 20 0 FIADLP Cc1ccc2[nH]c(C[NH+](C)C[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)cc2c1C ZINC000434010187 1094235075 /nfs/dbraw/zinc/23/50/75/1094235075.db2.gz FOVWBNZXNWVLCX-CVDCTZTESA-N 2 2 362.521 4.305 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](CNc1cc(C)[nH+]c3ccc(OC(F)F)cc13)CCC2 ZINC000443898975 1095170466 /nfs/dbraw/zinc/17/04/66/1095170466.db2.gz RHAXJCMDQAMUEH-CQSZACIVSA-N 2 2 372.419 4.061 20 0 FIADLP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502313412 1095362551 /nfs/dbraw/zinc/36/25/51/1095362551.db2.gz BKKNJHACXBDTKM-HNNXBMFYSA-N 2 2 367.522 4.051 20 0 FIADLP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502313412 1095362562 /nfs/dbraw/zinc/36/25/62/1095362562.db2.gz BKKNJHACXBDTKM-HNNXBMFYSA-N 2 2 367.522 4.051 20 0 FIADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502328212 1095384252 /nfs/dbraw/zinc/38/42/52/1095384252.db2.gz UTBQPRQLGCMTTN-LJQANCHMSA-N 2 2 353.510 4.386 20 0 FIADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502328212 1095384265 /nfs/dbraw/zinc/38/42/65/1095384265.db2.gz UTBQPRQLGCMTTN-LJQANCHMSA-N 2 2 353.510 4.386 20 0 FIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000443993095 1095580511 /nfs/dbraw/zinc/58/05/11/1095580511.db2.gz IYJWGISEOHLEQH-ZDUSSCGKSA-N 2 2 369.456 4.477 20 0 FIADLP COc1ccc([C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C2CC2)c(F)c1 ZINC000421825079 1095937467 /nfs/dbraw/zinc/93/74/67/1095937467.db2.gz LPCDJFOCSQIQLX-OAQYLSRUSA-N 2 2 369.415 4.400 20 0 FIADLP Fc1ccc(Br)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000042201879 1095943788 /nfs/dbraw/zinc/94/37/88/1095943788.db2.gz AFNIYILENGMJJF-UHFFFAOYSA-N 2 2 360.230 4.064 20 0 FIADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000421818723 1095953322 /nfs/dbraw/zinc/95/33/22/1095953322.db2.gz CDBYMQYCGZJENL-MRXNPFEDSA-N 2 2 374.912 4.032 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000503061713 1096039565 /nfs/dbraw/zinc/03/95/65/1096039565.db2.gz LYKZDAIBWAXCOC-NRFANRHFSA-N 2 2 368.431 4.094 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000503061713 1096039578 /nfs/dbraw/zinc/03/95/78/1096039578.db2.gz LYKZDAIBWAXCOC-NRFANRHFSA-N 2 2 368.431 4.094 20 0 FIADLP Fc1ccc2c(cc[nH+]c2NCC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000664283590 1096206700 /nfs/dbraw/zinc/20/67/00/1096206700.db2.gz KZIPRHGDNCRUOL-UHFFFAOYSA-N 2 2 350.441 4.093 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)on3)C2)n2c1CCCC2 ZINC000503282090 1096342830 /nfs/dbraw/zinc/34/28/30/1096342830.db2.gz IWJITGRLWKGHGP-GOSISDBHSA-N 2 2 362.477 4.254 20 0 FIADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)on3)C2)n2c1CCCC2 ZINC000503282090 1096342834 /nfs/dbraw/zinc/34/28/34/1096342834.db2.gz IWJITGRLWKGHGP-GOSISDBHSA-N 2 2 362.477 4.254 20 0 FIADLP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503378222 1096379089 /nfs/dbraw/zinc/37/90/89/1096379089.db2.gz RYFKVYZMGSTYHK-IBGZPJMESA-N 2 2 353.510 4.095 20 0 FIADLP Cc1ccc(C)c(OCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503378222 1096379097 /nfs/dbraw/zinc/37/90/97/1096379097.db2.gz RYFKVYZMGSTYHK-IBGZPJMESA-N 2 2 353.510 4.095 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@@H+](CCCOCc3ccccc3)C2)n2c1CCCC2 ZINC000503406868 1096387663 /nfs/dbraw/zinc/38/76/63/1096387663.db2.gz NYXFBGYDMPAMKW-FQEVSTJZSA-N 2 2 353.510 4.006 20 0 FIADLP c1[nH+]c([C@H]2CCC[N@H+](CCCOCc3ccccc3)C2)n2c1CCCC2 ZINC000503406868 1096387671 /nfs/dbraw/zinc/38/76/71/1096387671.db2.gz NYXFBGYDMPAMKW-FQEVSTJZSA-N 2 2 353.510 4.006 20 0 FIADLP c1csc(-c2cc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)no2)c1 ZINC000503408417 1096388050 /nfs/dbraw/zinc/38/80/50/1096388050.db2.gz HMDCMQTWPGLAHD-HNNXBMFYSA-N 2 2 368.506 4.316 20 0 FIADLP c1csc(-c2cc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)no2)c1 ZINC000503408417 1096388061 /nfs/dbraw/zinc/38/80/61/1096388061.db2.gz HMDCMQTWPGLAHD-HNNXBMFYSA-N 2 2 368.506 4.316 20 0 FIADLP C[C@H](CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)OCc1ccccc1 ZINC000503413768 1096390375 /nfs/dbraw/zinc/39/03/75/1096390375.db2.gz BOCQYHFZPDQVBC-CTNGQTDRSA-N 2 2 367.537 4.394 20 0 FIADLP C[C@H](CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)OCc1ccccc1 ZINC000503413768 1096390381 /nfs/dbraw/zinc/39/03/81/1096390381.db2.gz BOCQYHFZPDQVBC-CTNGQTDRSA-N 2 2 367.537 4.394 20 0 FIADLP Clc1ccccc1OCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503434925 1096398740 /nfs/dbraw/zinc/39/87/40/1096398740.db2.gz LJCZSRRGYUUNSW-INIZCTEOSA-N 2 2 359.901 4.131 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422641316 1096434708 /nfs/dbraw/zinc/43/47/08/1096434708.db2.gz XOKUNOVEIRGFGJ-KURKYZTESA-N 2 2 359.558 4.177 20 0 FIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422641316 1096434718 /nfs/dbraw/zinc/43/47/18/1096434718.db2.gz XOKUNOVEIRGFGJ-KURKYZTESA-N 2 2 359.558 4.177 20 0 FIADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(OCC(F)(F)F)c1 ZINC000422859985 1096506834 /nfs/dbraw/zinc/50/68/34/1096506834.db2.gz HSWBGEIHCCYGIX-IAGOWNOFSA-N 2 2 350.384 4.171 20 0 FIADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422990330 1096540587 /nfs/dbraw/zinc/54/05/87/1096540587.db2.gz BQXSUENXLMXBDJ-GOTSBHOMSA-N 3 2 361.489 4.146 20 0 FIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422990330 1096540595 /nfs/dbraw/zinc/54/05/95/1096540595.db2.gz BQXSUENXLMXBDJ-GOTSBHOMSA-N 3 2 361.489 4.146 20 0 FIADLP CN(C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000423057465 1096559303 /nfs/dbraw/zinc/55/93/03/1096559303.db2.gz ZVGBGKKAMFBRFC-GBESFXJTSA-N 2 2 363.427 4.043 20 0 FIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCOc3c(Br)cccc32)c2ccccc21 ZINC000423117130 1096577451 /nfs/dbraw/zinc/57/74/51/1096577451.db2.gz TXAIBLDKVCXSEN-IXDOHACOSA-N 2 2 359.267 4.007 20 0 FIADLP COc1ccc([C@H]([NH2+][C@H]2C[C@H](c3cccc(OC)c3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423154821 1096589563 /nfs/dbraw/zinc/58/95/63/1096589563.db2.gz KAKUVZBZSOUFFD-NNLJWKLDSA-N 2 2 366.505 4.033 20 0 FIADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])c3ccccc3)s2)cc1 ZINC000423230999 1096624622 /nfs/dbraw/zinc/62/46/22/1096624622.db2.gz AJCLNMUZJGQLPP-KUHUBIRLSA-N 2 2 367.518 4.478 20 0 FIADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cc1 ZINC000423264580 1096626952 /nfs/dbraw/zinc/62/69/52/1096626952.db2.gz AEUDCCJFWRRCQA-KRWDZBQOSA-N 2 2 360.546 4.180 20 0 FIADLP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000423332450 1096650125 /nfs/dbraw/zinc/65/01/25/1096650125.db2.gz DFQGAJSZFCJYIL-OAHLLOKOSA-N 2 2 360.461 4.158 20 0 FIADLP CN1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000514694955 1098559827 /nfs/dbraw/zinc/55/98/27/1098559827.db2.gz UEMSTECGPXJRKX-RTWAWAEBSA-N 2 2 366.896 4.061 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)o2)cc1C ZINC000245743996 1098709705 /nfs/dbraw/zinc/70/97/05/1098709705.db2.gz XTQJFHMABXIUDP-HHXXYDBFSA-N 2 2 365.481 4.194 20 0 FIADLP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)o2)cc1C ZINC000245743996 1098709713 /nfs/dbraw/zinc/70/97/13/1098709713.db2.gz XTQJFHMABXIUDP-HHXXYDBFSA-N 2 2 365.481 4.194 20 0 FIADLP COc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccc(C)cc2)cc1 ZINC000459386297 1099180117 /nfs/dbraw/zinc/18/01/17/1099180117.db2.gz BCZWAABXEXZJNG-QHCPKHFHSA-N 2 2 350.506 4.309 20 0 FIADLP Cc1ccc([C@@H](CNC(=O)Nc2c(C)cc(C)[nH+]c2C)[NH+]2CCCC2)cc1 ZINC000455467995 1099238980 /nfs/dbraw/zinc/23/89/80/1099238980.db2.gz GRSIWDIYBKWKOW-HXUWFJFHSA-N 2 2 366.509 4.274 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)[nH+]1 ZINC000455471410 1099243059 /nfs/dbraw/zinc/24/30/59/1099243059.db2.gz IPNAMEVXLXYGRY-IEBWSBKVSA-N 2 2 358.530 4.125 20 0 FIADLP Cc1cc(C)c(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)[nH+]1 ZINC000455471410 1099243074 /nfs/dbraw/zinc/24/30/74/1099243074.db2.gz IPNAMEVXLXYGRY-IEBWSBKVSA-N 2 2 358.530 4.125 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000508675347 1099591287 /nfs/dbraw/zinc/59/12/87/1099591287.db2.gz FWOGJMMPPMJYJP-MRXNPFEDSA-N 2 2 353.441 4.274 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000508675347 1099591300 /nfs/dbraw/zinc/59/13/00/1099591300.db2.gz FWOGJMMPPMJYJP-MRXNPFEDSA-N 2 2 353.441 4.274 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)c3ccccc3)nc2)C[C@@H]1C ZINC000437130468 1099648143 /nfs/dbraw/zinc/64/81/43/1099648143.db2.gz VVDJIHUIEPHNRQ-GHTZIAJQSA-N 2 2 352.526 4.154 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)c3ccccc3)nc2)C[C@@H]1C ZINC000437130468 1099648151 /nfs/dbraw/zinc/64/81/51/1099648151.db2.gz VVDJIHUIEPHNRQ-GHTZIAJQSA-N 2 2 352.526 4.154 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)C[C@@H]1C ZINC000437130468 1099648164 /nfs/dbraw/zinc/64/81/64/1099648164.db2.gz VVDJIHUIEPHNRQ-GHTZIAJQSA-N 2 2 352.526 4.154 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)C[C@@H]1C ZINC000437130468 1099648169 /nfs/dbraw/zinc/64/81/69/1099648169.db2.gz VVDJIHUIEPHNRQ-GHTZIAJQSA-N 2 2 352.526 4.154 20 0 FIADLP CC(C)(C)n1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000261905795 1099675437 /nfs/dbraw/zinc/67/54/37/1099675437.db2.gz XAJVRJDCNWZNQA-HXUWFJFHSA-N 2 2 360.933 4.129 20 0 FIADLP CC(C)(C)n1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000261905795 1099675442 /nfs/dbraw/zinc/67/54/42/1099675442.db2.gz XAJVRJDCNWZNQA-HXUWFJFHSA-N 2 2 360.933 4.129 20 0 FIADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000261951927 1099680291 /nfs/dbraw/zinc/68/02/91/1099680291.db2.gz GBVGENAPZRIBPR-FOIQADDNSA-N 2 2 371.912 4.294 20 0 FIADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000261951927 1099680295 /nfs/dbraw/zinc/68/02/95/1099680295.db2.gz GBVGENAPZRIBPR-FOIQADDNSA-N 2 2 371.912 4.294 20 0 FIADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866862 1099895535 /nfs/dbraw/zinc/89/55/35/1099895535.db2.gz UZUMPINZNKEABM-GOTSBHOMSA-N 3 2 369.597 4.141 20 0 FIADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866862 1099895549 /nfs/dbraw/zinc/89/55/49/1099895549.db2.gz UZUMPINZNKEABM-GOTSBHOMSA-N 3 2 369.597 4.141 20 0 FIADLP CC(C)C[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866862 1099895560 /nfs/dbraw/zinc/89/55/60/1099895560.db2.gz UZUMPINZNKEABM-GOTSBHOMSA-N 3 2 369.597 4.141 20 0 FIADLP CC(C)C[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866862 1099895563 /nfs/dbraw/zinc/89/55/63/1099895563.db2.gz UZUMPINZNKEABM-GOTSBHOMSA-N 3 2 369.597 4.141 20 0 FIADLP C[C@H](Nc1ccc(N2CCCC2)c[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516998733 1099978099 /nfs/dbraw/zinc/97/80/99/1099978099.db2.gz XLSLOKSOUMTZRS-AZUAARDMSA-N 2 2 350.510 4.004 20 0 FIADLP C[C@H](Nc1ccc(N2CCCC2)c[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516998733 1099978102 /nfs/dbraw/zinc/97/81/02/1099978102.db2.gz XLSLOKSOUMTZRS-AZUAARDMSA-N 2 2 350.510 4.004 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C[C@@H]1C ZINC000536659652 1100130666 /nfs/dbraw/zinc/13/06/66/1100130666.db2.gz FVMLAEGVFNHJFH-MGPUTAFESA-N 2 2 374.960 4.447 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C[C@@H]1C ZINC000536659652 1100130670 /nfs/dbraw/zinc/13/06/70/1100130670.db2.gz FVMLAEGVFNHJFH-MGPUTAFESA-N 2 2 374.960 4.447 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C[C@@H]1C ZINC000536659652 1100130671 /nfs/dbraw/zinc/13/06/71/1100130671.db2.gz FVMLAEGVFNHJFH-MGPUTAFESA-N 2 2 374.960 4.447 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C[C@@H]1C ZINC000536659652 1100130677 /nfs/dbraw/zinc/13/06/77/1100130677.db2.gz FVMLAEGVFNHJFH-MGPUTAFESA-N 2 2 374.960 4.447 20 0 FIADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000536665609 1100138768 /nfs/dbraw/zinc/13/87/68/1100138768.db2.gz UBTGQVCAOVYEQB-GCJKJVERSA-N 3 2 373.585 4.031 20 0 FIADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000536665609 1100138771 /nfs/dbraw/zinc/13/87/71/1100138771.db2.gz UBTGQVCAOVYEQB-GCJKJVERSA-N 3 2 373.585 4.031 20 0 FIADLP Cc1nc2ccccn2c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000536674912 1100162831 /nfs/dbraw/zinc/16/28/31/1100162831.db2.gz HQKUICGGOBESHS-DEOSSOPVSA-N 2 2 374.532 4.131 20 0 FIADLP Cc1nc2ccccn2c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000536674912 1100162837 /nfs/dbraw/zinc/16/28/37/1100162837.db2.gz HQKUICGGOBESHS-DEOSSOPVSA-N 2 2 374.532 4.131 20 0 FIADLP Cc1nc2ccccn2c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000536674912 1100162849 /nfs/dbraw/zinc/16/28/49/1100162849.db2.gz HQKUICGGOBESHS-DEOSSOPVSA-N 2 2 374.532 4.131 20 0 FIADLP Cc1nc2ccccn2c1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000536674912 1100162857 /nfs/dbraw/zinc/16/28/57/1100162857.db2.gz HQKUICGGOBESHS-DEOSSOPVSA-N 2 2 374.532 4.131 20 0 FIADLP CC(C)(C)n1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000536675139 1100163509 /nfs/dbraw/zinc/16/35/09/1100163509.db2.gz QFEYIROYKHMBKY-HSZRJFAPSA-N 2 2 366.553 4.126 20 0 FIADLP CC(C)(C)n1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000536675139 1100163514 /nfs/dbraw/zinc/16/35/14/1100163514.db2.gz QFEYIROYKHMBKY-HSZRJFAPSA-N 2 2 366.553 4.126 20 0 FIADLP CC(C)(C)n1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000536675139 1100163520 /nfs/dbraw/zinc/16/35/20/1100163520.db2.gz QFEYIROYKHMBKY-HSZRJFAPSA-N 2 2 366.553 4.126 20 0 FIADLP CC(C)(C)n1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000536675139 1100163525 /nfs/dbraw/zinc/16/35/25/1100163525.db2.gz QFEYIROYKHMBKY-HSZRJFAPSA-N 2 2 366.553 4.126 20 0 FIADLP c1ccc(COC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC000459438929 1100174961 /nfs/dbraw/zinc/17/49/61/1100174961.db2.gz SVSPZDWXBUUUBL-QHCPKHFHSA-N 2 2 350.506 4.161 20 0 FIADLP Clc1nccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1Cl ZINC000290997376 1100206807 /nfs/dbraw/zinc/20/68/07/1100206807.db2.gz AOIODVVLRRLIIS-UHFFFAOYSA-N 2 2 365.308 4.301 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379631070 1100243757 /nfs/dbraw/zinc/24/37/57/1100243757.db2.gz QYEMOVKZDNYGFE-UGKGYDQZSA-N 2 2 360.505 4.015 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000379631070 1100243765 /nfs/dbraw/zinc/24/37/65/1100243765.db2.gz QYEMOVKZDNYGFE-UGKGYDQZSA-N 2 2 360.505 4.015 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379644359 1100253267 /nfs/dbraw/zinc/25/32/67/1100253267.db2.gz CCUOOMOEUDJWLK-RDPSFJRHSA-N 2 2 374.532 4.074 20 0 FIADLP C[C@H]1C[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000379644359 1100253276 /nfs/dbraw/zinc/25/32/76/1100253276.db2.gz CCUOOMOEUDJWLK-RDPSFJRHSA-N 2 2 374.532 4.074 20 0 FIADLP c1[nH+]c(-c2cccc(NC3CCN(c4cc[nH+]cc4)CC3)c2)n2c1CCCC2 ZINC000459508916 1100262417 /nfs/dbraw/zinc/26/24/17/1100262417.db2.gz NDWRDUJAQOTNSL-UHFFFAOYSA-N 2 2 373.504 4.362 20 0 FIADLP CCCCCn1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)n1 ZINC000536850459 1100363853 /nfs/dbraw/zinc/36/38/53/1100363853.db2.gz GZVGYMFGKIMVHU-KRWDZBQOSA-N 2 2 351.498 4.418 20 0 FIADLP CCCCCn1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)n1 ZINC000536850486 1100364331 /nfs/dbraw/zinc/36/43/31/1100364331.db2.gz GZVGYMFGKIMVHU-QGZVFWFLSA-N 2 2 351.498 4.418 20 0 FIADLP C[C@H](C[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1)C[NH+](C)C ZINC000425945150 1100399764 /nfs/dbraw/zinc/39/97/64/1100399764.db2.gz PLGYMYUJLKFTNV-OPAMFIHVSA-N 2 2 351.469 4.251 20 0 FIADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(-c3ccccc3F)s2)C[C@H](C)O1 ZINC000517540678 1100463196 /nfs/dbraw/zinc/46/31/96/1100463196.db2.gz BVIAZVQZSDXNJA-HOTGVXAUSA-N 2 2 362.514 4.143 20 0 FIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCC[C@@H](C(F)(F)F)C3)[nH+]c2)CC1 ZINC000438181810 1100485196 /nfs/dbraw/zinc/48/51/96/1100485196.db2.gz SLQMNRDQTTWDQJ-CABCVRRESA-N 2 2 370.463 4.145 20 0 FIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+]CC[C@H]3CCOC3)cc2)c[nH+]1 ZINC000438207509 1100510487 /nfs/dbraw/zinc/51/04/87/1100510487.db2.gz ACGFUAJAGRKOCN-FQEVSTJZSA-N 2 2 361.489 4.115 20 0 FIADLP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3nc(-c4ccccc4)c[nH]3)C2)c1 ZINC000194274667 1101316274 /nfs/dbraw/zinc/31/62/74/1101316274.db2.gz RPSRJDVBKHNWDY-KRWDZBQOSA-N 2 2 366.534 4.140 20 0 FIADLP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3nc(-c4ccccc4)c[nH]3)C2)c1 ZINC000194274667 1101316289 /nfs/dbraw/zinc/31/62/89/1101316289.db2.gz RPSRJDVBKHNWDY-KRWDZBQOSA-N 2 2 366.534 4.140 20 0 FIADLP CCc1cccc(Cl)c1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000475704811 1101367755 /nfs/dbraw/zinc/36/77/55/1101367755.db2.gz IBROKOFHXGTNGI-UHFFFAOYSA-N 2 2 371.956 4.436 20 0 FIADLP CCc1cccc(Cl)c1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000475704811 1101367771 /nfs/dbraw/zinc/36/77/71/1101367771.db2.gz IBROKOFHXGTNGI-UHFFFAOYSA-N 2 2 371.956 4.436 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000537014186 1101395310 /nfs/dbraw/zinc/39/53/10/1101395310.db2.gz FQVWTRHRCKPLDB-ZHRRBRCNSA-N 2 2 353.485 4.487 20 0 FIADLP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)cc1O ZINC000426413693 1101517554 /nfs/dbraw/zinc/51/75/54/1101517554.db2.gz XUWBDZWGKZHYMQ-NQIIRXRSSA-N 2 2 368.521 4.149 20 0 FIADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001168155300 1101591023 /nfs/dbraw/zinc/59/10/23/1101591023.db2.gz QKGHZUVCSCZQBK-SJKOYZFVSA-N 2 2 367.718 4.323 20 0 FIADLP CC[NH+]1CCC([N@H+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000506673178 1101744075 /nfs/dbraw/zinc/74/40/75/1101744075.db2.gz FUEPRWQNNKLZTR-UHFFFAOYSA-N 2 2 354.542 4.086 20 0 FIADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000506673178 1101744087 /nfs/dbraw/zinc/74/40/87/1101744087.db2.gz FUEPRWQNNKLZTR-UHFFFAOYSA-N 2 2 354.542 4.086 20 0 FIADLP CC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc(C)ccc1OC ZINC000537456308 1101813998 /nfs/dbraw/zinc/81/39/98/1101813998.db2.gz VHLNILCUSQQOJJ-UYAOXDASSA-N 2 2 368.525 4.102 20 0 FIADLP Cc1cc([C@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)C2CC2)ccc1F ZINC000537455588 1101818970 /nfs/dbraw/zinc/81/89/70/1101818970.db2.gz GHSWLTOOYHQYOO-SIKLNZKXSA-N 2 2 368.500 4.233 20 0 FIADLP c1csc([C@H](Cc2ccccc2)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)n1 ZINC001167969301 1102369723 /nfs/dbraw/zinc/36/97/23/1102369723.db2.gz BGIWOSQVMSPQHO-VTHDOGFWSA-N 2 2 367.562 4.422 20 0 FIADLP c1csc([C@H](Cc2ccccc2)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)n1 ZINC001167969301 1102369732 /nfs/dbraw/zinc/36/97/32/1102369732.db2.gz BGIWOSQVMSPQHO-VTHDOGFWSA-N 2 2 367.562 4.422 20 0 FIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2nc3ccccc3n2C)cc1F ZINC000091307391 1102380520 /nfs/dbraw/zinc/38/05/20/1102380520.db2.gz IXLNJADHXLIVGE-CQSZACIVSA-N 2 2 363.440 4.057 20 0 FIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C[C@H]1C ZINC000537635882 1102381843 /nfs/dbraw/zinc/38/18/43/1102381843.db2.gz CDMCMNKXNSYYNZ-XMSQKQJNSA-N 2 2 368.569 4.161 20 0 FIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C[C@H]1C ZINC000537635882 1102381851 /nfs/dbraw/zinc/38/18/51/1102381851.db2.gz CDMCMNKXNSYYNZ-XMSQKQJNSA-N 2 2 368.569 4.161 20 0 FIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C[C@H]1C ZINC000537635882 1102381863 /nfs/dbraw/zinc/38/18/63/1102381863.db2.gz CDMCMNKXNSYYNZ-XMSQKQJNSA-N 2 2 368.569 4.161 20 0 FIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C[C@H]1C ZINC000537635882 1102381877 /nfs/dbraw/zinc/38/18/77/1102381877.db2.gz CDMCMNKXNSYYNZ-XMSQKQJNSA-N 2 2 368.569 4.161 20 0 FIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000121350039 1102387230 /nfs/dbraw/zinc/38/72/30/1102387230.db2.gz MMFQYXDDCBDSNU-CQSZACIVSA-N 2 2 365.399 4.300 20 0 FIADLP COc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1OC(F)F ZINC000101544321 1102543489 /nfs/dbraw/zinc/54/34/89/1102543489.db2.gz PRLVPTBKTWAFRV-UHFFFAOYSA-N 2 2 373.403 4.114 20 0 FIADLP COc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1OC(F)F ZINC000101544321 1102543498 /nfs/dbraw/zinc/54/34/98/1102543498.db2.gz PRLVPTBKTWAFRV-UHFFFAOYSA-N 2 2 373.403 4.114 20 0 FIADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000303774629 1102560663 /nfs/dbraw/zinc/56/06/63/1102560663.db2.gz RHNIRLLFGFTKTD-PXNSSMCTSA-N 2 2 356.485 4.319 20 0 FIADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000303774629 1102560668 /nfs/dbraw/zinc/56/06/68/1102560668.db2.gz RHNIRLLFGFTKTD-PXNSSMCTSA-N 2 2 356.485 4.319 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000303774629 1102560675 /nfs/dbraw/zinc/56/06/75/1102560675.db2.gz RHNIRLLFGFTKTD-PXNSSMCTSA-N 2 2 356.485 4.319 20 0 FIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000303774629 1102560681 /nfs/dbraw/zinc/56/06/81/1102560681.db2.gz RHNIRLLFGFTKTD-PXNSSMCTSA-N 2 2 356.485 4.319 20 0 FIADLP C[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000551034751 1102824812 /nfs/dbraw/zinc/82/48/12/1102824812.db2.gz ONDWSQHSIROEJV-HUVFLSCGSA-N 3 2 365.565 4.322 20 0 FIADLP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000551034751 1102824830 /nfs/dbraw/zinc/82/48/30/1102824830.db2.gz ONDWSQHSIROEJV-HUVFLSCGSA-N 3 2 365.565 4.322 20 0 FIADLP C[C@H](CC[NH2+][C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000551034751 1102824849 /nfs/dbraw/zinc/82/48/49/1102824849.db2.gz ONDWSQHSIROEJV-HUVFLSCGSA-N 3 2 365.565 4.322 20 0 FIADLP C[C@H](CC[NH2+][C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000551034751 1102824868 /nfs/dbraw/zinc/82/48/68/1102824868.db2.gz ONDWSQHSIROEJV-HUVFLSCGSA-N 3 2 365.565 4.322 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cn(-c3ccc(Cl)cc3)nc1C)CCC2 ZINC000608067516 1102858093 /nfs/dbraw/zinc/85/80/93/1102858093.db2.gz JMDTYBVRRRFIOP-MRXNPFEDSA-N 2 2 369.900 4.006 20 0 FIADLP CCCCCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(C)n1 ZINC000551084299 1102903161 /nfs/dbraw/zinc/90/31/61/1102903161.db2.gz WCAUBPULAMSAOZ-FGZHOGPDSA-N 2 2 354.542 4.307 20 0 FIADLP CCCCCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(C)n1 ZINC000551084299 1102903164 /nfs/dbraw/zinc/90/31/64/1102903164.db2.gz WCAUBPULAMSAOZ-FGZHOGPDSA-N 2 2 354.542 4.307 20 0 FIADLP CCCCCn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(C)n1 ZINC000551084300 1102903297 /nfs/dbraw/zinc/90/32/97/1102903297.db2.gz WCAUBPULAMSAOZ-VXKWHMMOSA-N 2 2 354.542 4.307 20 0 FIADLP CCCCCn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(C)n1 ZINC000551084300 1102903300 /nfs/dbraw/zinc/90/33/00/1102903300.db2.gz WCAUBPULAMSAOZ-VXKWHMMOSA-N 2 2 354.542 4.307 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000551198898 1102971900 /nfs/dbraw/zinc/97/19/00/1102971900.db2.gz RJECODFFBYPPFT-ACRUOGEOSA-N 2 2 358.913 4.453 20 0 FIADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000551198898 1102971901 /nfs/dbraw/zinc/97/19/01/1102971901.db2.gz RJECODFFBYPPFT-ACRUOGEOSA-N 2 2 358.913 4.453 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000551311547 1103088196 /nfs/dbraw/zinc/08/81/96/1103088196.db2.gz ZSFZFPLPEQFMRX-VALFRTSSSA-N 2 2 369.940 4.481 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000551311547 1103088215 /nfs/dbraw/zinc/08/82/15/1103088215.db2.gz ZSFZFPLPEQFMRX-VALFRTSSSA-N 2 2 369.940 4.481 20 0 FIADLP C[N@H+](CCn1cc[nH+]c1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551411656 1103189355 /nfs/dbraw/zinc/18/93/55/1103189355.db2.gz TZHCEDPSGIIDTJ-UHFFFAOYSA-N 2 2 351.294 4.053 20 0 FIADLP C[N@@H+](CCn1cc[nH+]c1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551411656 1103189361 /nfs/dbraw/zinc/18/93/61/1103189361.db2.gz TZHCEDPSGIIDTJ-UHFFFAOYSA-N 2 2 351.294 4.053 20 0 FIADLP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1Cl ZINC000551532853 1103332609 /nfs/dbraw/zinc/33/26/09/1103332609.db2.gz HFQKZPNKFKFBFV-JTDSTZFVSA-N 2 2 373.928 4.447 20 0 FIADLP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1Cl ZINC000551532853 1103332621 /nfs/dbraw/zinc/33/26/21/1103332621.db2.gz HFQKZPNKFKFBFV-JTDSTZFVSA-N 2 2 373.928 4.447 20 0 FIADLP COc1ncc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1Cl ZINC000551532908 1103332727 /nfs/dbraw/zinc/33/27/27/1103332727.db2.gz ILVBCNKBPMZFLO-GFCCVEGCSA-N 2 2 374.847 4.228 20 0 FIADLP COc1ncc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1Cl ZINC000551532851 1103333456 /nfs/dbraw/zinc/33/34/56/1103333456.db2.gz HFQKZPNKFKFBFV-BXWFABGCSA-N 2 2 373.928 4.447 20 0 FIADLP COc1ncc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1Cl ZINC000551532851 1103333468 /nfs/dbraw/zinc/33/34/68/1103333468.db2.gz HFQKZPNKFKFBFV-BXWFABGCSA-N 2 2 373.928 4.447 20 0 FIADLP CC1(C)[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H]1Oc1ccccc1 ZINC000551537126 1103339057 /nfs/dbraw/zinc/33/90/57/1103339057.db2.gz MNRISXRXLZYNOF-YADHBBJMSA-N 2 2 361.489 4.267 20 0 FIADLP CC(C)[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Nc1ccccc1 ZINC000507516698 1103441694 /nfs/dbraw/zinc/44/16/94/1103441694.db2.gz WMBUEHQTCZWHRJ-SFHVURJKSA-N 2 2 357.464 4.130 20 0 FIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000519793998 1103859670 /nfs/dbraw/zinc/85/96/70/1103859670.db2.gz ZIASDDGEMHVNLH-UHFFFAOYSA-N 2 2 351.425 4.121 20 0 FIADLP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2)c(-c2ccccc2)cc1OC ZINC000579163025 1104125248 /nfs/dbraw/zinc/12/52/48/1104125248.db2.gz BGEZPEAUWUSPAO-UHFFFAOYSA-N 2 2 365.477 4.089 20 0 FIADLP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)c(-c2ccccc2)cc1OC ZINC000579163025 1104125254 /nfs/dbraw/zinc/12/52/54/1104125254.db2.gz BGEZPEAUWUSPAO-UHFFFAOYSA-N 2 2 365.477 4.089 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441417928 1104343023 /nfs/dbraw/zinc/34/30/23/1104343023.db2.gz HHCCDNRXOKAJPZ-GHTZIAJQSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441417928 1104343033 /nfs/dbraw/zinc/34/30/33/1104343033.db2.gz HHCCDNRXOKAJPZ-GHTZIAJQSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441417928 1104343043 /nfs/dbraw/zinc/34/30/43/1104343043.db2.gz HHCCDNRXOKAJPZ-GHTZIAJQSA-N 2 2 351.494 4.099 20 0 FIADLP Cc1oc(-c2ccccc2)nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441417928 1104343054 /nfs/dbraw/zinc/34/30/54/1104343054.db2.gz HHCCDNRXOKAJPZ-GHTZIAJQSA-N 2 2 351.494 4.099 20 0 FIADLP c1cn(-c2ccc(-c3noc([C@@H]4[NH2+]CCC[C@H]4c4ccccc4)n3)cc2)c[nH+]1 ZINC001211870477 1105047038 /nfs/dbraw/zinc/04/70/38/1105047038.db2.gz QWBVHCLCGUFVQP-VQTJNVASSA-N 2 2 371.444 4.131 20 0 FIADLP c1cn(-c2ccc(-c3noc([C@H]4[NH2+]CCC[C@H]4c4ccccc4)n3)cc2)c[nH+]1 ZINC001211870475 1105047480 /nfs/dbraw/zinc/04/74/80/1105047480.db2.gz QWBVHCLCGUFVQP-PMACEKPBSA-N 2 2 371.444 4.131 20 0 FIADLP COc1ccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC001168006319 1105107081 /nfs/dbraw/zinc/10/70/81/1105107081.db2.gz NCXPGAJQBRFFLZ-QZTJIDSGSA-N 2 2 368.521 4.235 20 0 FIADLP Cc1ccc2sc(C[N@@H+]3CCC[C@H]3CNc3cccc(C)[nH+]3)nc2c1 ZINC001168007606 1105139320 /nfs/dbraw/zinc/13/93/20/1105139320.db2.gz FCYACXBCXDVGJT-INIZCTEOSA-N 2 2 352.507 4.385 20 0 FIADLP Cc1ccc2sc(C[N@H+]3CCC[C@H]3CNc3cccc(C)[nH+]3)nc2c1 ZINC001168007606 1105139326 /nfs/dbraw/zinc/13/93/26/1105139326.db2.gz FCYACXBCXDVGJT-INIZCTEOSA-N 2 2 352.507 4.385 20 0 FIADLP CCOc1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2)cc1 ZINC000247254970 1105204510 /nfs/dbraw/zinc/20/45/10/1105204510.db2.gz ZZQRIEBAYDNFKF-QNWVGRARSA-N 2 2 350.506 4.391 20 0 FIADLP CCOc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2)cc1 ZINC000247254970 1105204516 /nfs/dbraw/zinc/20/45/16/1105204516.db2.gz ZZQRIEBAYDNFKF-QNWVGRARSA-N 2 2 350.506 4.391 20 0 FIADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3nc4cc(Cl)ccc4n3C)CC2)C1 ZINC000427846620 1105293800 /nfs/dbraw/zinc/29/38/00/1105293800.db2.gz IESQUTMNTDMROX-MAUKXSAKSA-N 2 2 374.960 4.359 20 0 FIADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1OCCC ZINC000427852285 1105295434 /nfs/dbraw/zinc/29/54/34/1105295434.db2.gz LUAPZARVOPOOKO-WMZOPIPTSA-N 2 2 357.498 4.126 20 0 FIADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427852740 1105296140 /nfs/dbraw/zinc/29/61/40/1105296140.db2.gz MVKIIBBONKYAFP-PKOBYXMFSA-N 2 2 353.510 4.307 20 0 FIADLP c1cn2c([nH+]1)C[C@@H]([NH2+]C(CCc1ccccc1)CCc1ccccc1)CC2 ZINC000427874435 1105299104 /nfs/dbraw/zinc/29/91/04/1105299104.db2.gz IMCQZLHNSVECMJ-QHCPKHFHSA-N 2 2 359.517 4.422 20 0 FIADLP Fc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccc(Cl)cc2)cc1 ZINC000427878481 1105299448 /nfs/dbraw/zinc/29/94/48/1105299448.db2.gz ARUDOIGOETYOBL-UYAOXDASSA-N 2 2 355.844 4.370 20 0 FIADLP Fc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CCn4cc[nH+]c4C2)CCC3)cc1 ZINC000427900208 1105308113 /nfs/dbraw/zinc/30/81/13/1105308113.db2.gz YILMHWXQKDTATR-JKSUJKDBSA-N 2 2 368.481 4.128 20 0 FIADLP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000427883872 1105310454 /nfs/dbraw/zinc/31/04/54/1105310454.db2.gz DSCRGTHYAQVZBA-SIKLNZKXSA-N 2 2 354.542 4.039 20 0 FIADLP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)n1 ZINC000427883872 1105310462 /nfs/dbraw/zinc/31/04/62/1105310462.db2.gz DSCRGTHYAQVZBA-SIKLNZKXSA-N 2 2 354.542 4.039 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CC(F)(F)CS3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168063189 1106798571 /nfs/dbraw/zinc/79/85/71/1106798571.db2.gz MJSYOUKCFQBZEA-ALXJQNPVSA-N 2 2 366.521 4.255 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CC(F)(F)CS3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063189 1106798585 /nfs/dbraw/zinc/79/85/85/1106798585.db2.gz MJSYOUKCFQBZEA-ALXJQNPVSA-N 2 2 366.521 4.255 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@H]2c2cnccn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065264 1106902324 /nfs/dbraw/zinc/90/23/24/1106902324.db2.gz VFHJIHIGCNZTAS-TWWGPRNNSA-N 2 2 350.510 4.055 20 0 FIADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@H]2c2cnccn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065264 1106902326 /nfs/dbraw/zinc/90/23/26/1106902326.db2.gz VFHJIHIGCNZTAS-TWWGPRNNSA-N 2 2 350.510 4.055 20 0 FIADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2c2cnccn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065264 1106902332 /nfs/dbraw/zinc/90/23/32/1106902332.db2.gz VFHJIHIGCNZTAS-TWWGPRNNSA-N 2 2 350.510 4.055 20 0 FIADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2cnccn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065264 1106902336 /nfs/dbraw/zinc/90/23/36/1106902336.db2.gz VFHJIHIGCNZTAS-TWWGPRNNSA-N 2 2 350.510 4.055 20 0 FIADLP Cc1cc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)nc(C(C)C)[nH+]1 ZINC000301535108 1107062825 /nfs/dbraw/zinc/06/28/25/1107062825.db2.gz AGSGNPGIIQWPJK-GOSISDBHSA-N 2 2 368.525 4.220 20 0 FIADLP COc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1OCCC(C)C ZINC000475568185 1107757622 /nfs/dbraw/zinc/75/76/22/1107757622.db2.gz DEWPBXAEFSYYRV-UHFFFAOYSA-N 2 2 360.542 4.227 20 0 FIADLP C[C@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444545602 1107981524 /nfs/dbraw/zinc/98/15/24/1107981524.db2.gz LNDZJDTZLYWYFY-BRWVUGGUSA-N 2 2 366.509 4.086 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(Br)cc1 ZINC000531712231 1108090534 /nfs/dbraw/zinc/09/05/34/1108090534.db2.gz WIHPYDKXDUUBEX-CQSZACIVSA-N 2 2 356.267 4.486 20 0 FIADLP C[C@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2sccc21 ZINC000453067967 1108120980 /nfs/dbraw/zinc/12/09/80/1108120980.db2.gz SKIBRXBXDUITNJ-JXFKEZNVSA-N 2 2 356.535 4.309 20 0 FIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000453166160 1108237692 /nfs/dbraw/zinc/23/76/92/1108237692.db2.gz HIQMTBUQGUREPH-RBUKOAKNSA-N 2 2 352.526 4.003 20 0 FIADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCCC2 ZINC000453194197 1108262663 /nfs/dbraw/zinc/26/26/63/1108262663.db2.gz ASZDBSYRLLSYGP-WBVHZDCISA-N 2 2 360.299 4.018 20 0 FIADLP Clc1ccccc1C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000453205879 1108275944 /nfs/dbraw/zinc/27/59/44/1108275944.db2.gz TXUNXMNLIDVGLG-WMZOPIPTSA-N 2 2 357.910 4.486 20 0 FIADLP C[C@H](CCCc1cccnc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000453209596 1108279492 /nfs/dbraw/zinc/27/94/92/1108279492.db2.gz DKGSMULBODHVOF-VNCLNFNDSA-N 2 2 369.475 4.188 20 0 FIADLP C[C@H](CCCc1cccnc1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000453243102 1108350625 /nfs/dbraw/zinc/35/06/25/1108350625.db2.gz YLFKVAOQVRHEEC-MRXNPFEDSA-N 2 2 354.885 4.422 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3cc(C)oc3C)CC2)cc1 ZINC000453319584 1108408037 /nfs/dbraw/zinc/40/80/37/1108408037.db2.gz DHXYAXZCLXFTNM-INIZCTEOSA-N 2 2 369.509 4.170 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3ccsc3)CC2)cc1 ZINC000453318772 1108410269 /nfs/dbraw/zinc/41/02/69/1108410269.db2.gz CCILGGGCILRQPN-OAHLLOKOSA-N 2 2 357.523 4.022 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3ccc(C)s3)CC2)cc1 ZINC000453324343 1108415423 /nfs/dbraw/zinc/41/54/23/1108415423.db2.gz KXWQQXJOIAUFIU-INIZCTEOSA-N 2 2 371.550 4.330 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C3[C@@H](C)CCC[C@@H]3C)CC2)cc1 ZINC000453332056 1108422814 /nfs/dbraw/zinc/42/28/14/1108422814.db2.gz UUYXTEFGDLGXMF-IRXDYDNUSA-N 2 2 357.542 4.024 20 0 FIADLP CCC[C@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)C1CCC1 ZINC000453337204 1108432561 /nfs/dbraw/zinc/43/25/61/1108432561.db2.gz ZOAKLMACJMCYSI-QFIPXVFZSA-N 2 2 357.542 4.168 20 0 FIADLP Cc1cc(NCc2ccc(C[NH+]3CCCCCC3)cc2)nc(C2CC2)[nH+]1 ZINC000523873615 1108622331 /nfs/dbraw/zinc/62/23/31/1108622331.db2.gz JZSIQYNWGVWGTA-UHFFFAOYSA-N 2 2 350.510 4.072 20 0 FIADLP Cc1cc(Br)c(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)s1 ZINC000453587890 1108645904 /nfs/dbraw/zinc/64/59/04/1108645904.db2.gz LMJIBMWATBLGDT-UHFFFAOYSA-N 2 2 371.319 4.310 20 0 FIADLP C[C@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532186865 1108696883 /nfs/dbraw/zinc/69/68/83/1108696883.db2.gz BXFWHKAFXHMKEF-HNNXBMFYSA-N 2 2 357.404 4.367 20 0 FIADLP C[C@@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532186866 1108697101 /nfs/dbraw/zinc/69/71/01/1108697101.db2.gz BXFWHKAFXHMKEF-OAHLLOKOSA-N 2 2 357.404 4.367 20 0 FIADLP Cc1c([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cnn1-c1cccc(Cl)c1 ZINC000532195068 1108701941 /nfs/dbraw/zinc/70/19/41/1108701941.db2.gz ZVINDDQOLCFAGM-HNNXBMFYSA-N 2 2 357.889 4.162 20 0 FIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)o1 ZINC000532210914 1108712354 /nfs/dbraw/zinc/71/23/54/1108712354.db2.gz DHMPQOFENDTCAJ-IIBYNOLFSA-N 2 2 356.485 4.339 20 0 FIADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000447074898 1109436688 /nfs/dbraw/zinc/43/66/88/1109436688.db2.gz AQRWUYCFTOKPPH-UHFFFAOYSA-N 2 2 356.514 4.002 20 0 FIADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1cccc(-c3ccncc3)c1)C2 ZINC000525759740 1109502874 /nfs/dbraw/zinc/50/28/74/1109502874.db2.gz RQEXTSCCZXRBPM-HXUWFJFHSA-N 2 2 360.505 4.347 20 0 FIADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc21 ZINC000447529404 1109563375 /nfs/dbraw/zinc/56/33/75/1109563375.db2.gz LYWUEOSIAYFYIT-BJKOFHAPSA-N 2 2 364.533 4.493 20 0 FIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)[C@H](C)C1 ZINC000448021231 1109695105 /nfs/dbraw/zinc/69/51/05/1109695105.db2.gz HKYOVPLMNINBJH-DYESRHJHSA-N 2 2 374.500 4.312 20 0 FIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)[C@H](C)C1 ZINC000448021231 1109695108 /nfs/dbraw/zinc/69/51/08/1109695108.db2.gz HKYOVPLMNINBJH-DYESRHJHSA-N 2 2 374.500 4.312 20 0 FIADLP CC[N@@H+](Cc1ccnn1-c1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000448330829 1109773887 /nfs/dbraw/zinc/77/38/87/1109773887.db2.gz FUHSYQZULUUVCE-JOCHJYFZSA-N 2 2 374.532 4.216 20 0 FIADLP CC[N@H+](Cc1ccnn1-c1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000448330829 1109773891 /nfs/dbraw/zinc/77/38/91/1109773891.db2.gz FUHSYQZULUUVCE-JOCHJYFZSA-N 2 2 374.532 4.216 20 0 FIADLP CC[NH+](Cc1ccnn1-c1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000448330829 1109773895 /nfs/dbraw/zinc/77/38/95/1109773895.db2.gz FUHSYQZULUUVCE-JOCHJYFZSA-N 2 2 374.532 4.216 20 0 FIADLP CC[NH+](Cc1ccnn1-c1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000448330829 1109773900 /nfs/dbraw/zinc/77/39/00/1109773900.db2.gz FUHSYQZULUUVCE-JOCHJYFZSA-N 2 2 374.532 4.216 20 0 FIADLP CC(C)Oc1cc(Cl)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000527696115 1109806800 /nfs/dbraw/zinc/80/68/00/1109806800.db2.gz RPPHVFHEAOPTLD-CYBMUJFWSA-N 2 2 354.281 4.082 20 0 FIADLP CC(C)Oc1cc(Cl)c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000527710928 1109815133 /nfs/dbraw/zinc/81/51/33/1109815133.db2.gz MHAYWKDNYYGRPX-LBPRGKRZSA-N 2 2 354.281 4.151 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527882317 1109849180 /nfs/dbraw/zinc/84/91/80/1109849180.db2.gz AKGQNHAJUKCHPV-BJLQDIEVSA-N 2 2 366.553 4.391 20 0 FIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527882317 1109849185 /nfs/dbraw/zinc/84/91/85/1109849185.db2.gz AKGQNHAJUKCHPV-BJLQDIEVSA-N 2 2 366.553 4.391 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527898887 1109853854 /nfs/dbraw/zinc/85/38/54/1109853854.db2.gz WWOMRTVWVFANDG-CTNGQTDRSA-N 2 2 374.532 4.260 20 0 FIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527898887 1109853860 /nfs/dbraw/zinc/85/38/60/1109853860.db2.gz WWOMRTVWVFANDG-CTNGQTDRSA-N 2 2 374.532 4.260 20 0 FIADLP Fc1cccc(F)c1-c1ncc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000449015743 1109954247 /nfs/dbraw/zinc/95/42/47/1109954247.db2.gz MDGSYVCGTNLHGH-LBPRGKRZSA-N 2 2 360.433 4.191 20 0 FIADLP Fc1cccc(F)c1-c1ncc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000449015743 1109954249 /nfs/dbraw/zinc/95/42/49/1109954249.db2.gz MDGSYVCGTNLHGH-LBPRGKRZSA-N 2 2 360.433 4.191 20 0 FIADLP Cc1cc(Br)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000449090520 1109978337 /nfs/dbraw/zinc/97/83/37/1109978337.db2.gz NOUFDEFYWLFSIB-UONOGXRCSA-N 2 2 357.723 4.127 20 0 FIADLP Cc1cc(Br)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000449090520 1109978338 /nfs/dbraw/zinc/97/83/38/1109978338.db2.gz NOUFDEFYWLFSIB-UONOGXRCSA-N 2 2 357.723 4.127 20 0 FIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000449149311 1109985846 /nfs/dbraw/zinc/98/58/46/1109985846.db2.gz NGYJDAVVVCTHDL-GOSISDBHSA-N 2 2 352.526 4.313 20 0 FIADLP FC(F)(F)c1ncccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000528494617 1110005561 /nfs/dbraw/zinc/00/55/61/1110005561.db2.gz QOFOLESRQOIAGQ-OAHLLOKOSA-N 2 2 364.415 4.013 20 0 FIADLP FC(F)(F)c1ncccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000528494617 1110005568 /nfs/dbraw/zinc/00/55/68/1110005568.db2.gz QOFOLESRQOIAGQ-OAHLLOKOSA-N 2 2 364.415 4.013 20 0 FIADLP CSCC1CCC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000449294896 1110020015 /nfs/dbraw/zinc/02/00/15/1110020015.db2.gz NYSKYELXMWUGBP-UHFFFAOYSA-N 2 2 364.521 4.303 20 0 FIADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(Cl)sc1Cl ZINC000449330348 1110028543 /nfs/dbraw/zinc/02/85/43/1110028543.db2.gz TVEXACNETAIXMT-UHFFFAOYSA-N 2 2 374.337 4.070 20 0 FIADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnc(-c4c(F)cccc4F)s3)C2)C1 ZINC000449342618 1110033632 /nfs/dbraw/zinc/03/36/32/1110033632.db2.gz CSRHSKFGFVYEGC-IBGZPJMESA-N 2 2 363.477 4.006 20 0 FIADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnc(-c4c(F)cccc4F)s3)C2)C1 ZINC000449342618 1110033640 /nfs/dbraw/zinc/03/36/40/1110033640.db2.gz CSRHSKFGFVYEGC-IBGZPJMESA-N 2 2 363.477 4.006 20 0 FIADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnc(-c4c(F)cccc4F)s3)C2)C1 ZINC000449342618 1110033644 /nfs/dbraw/zinc/03/36/44/1110033644.db2.gz CSRHSKFGFVYEGC-IBGZPJMESA-N 2 2 363.477 4.006 20 0 FIADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnc(-c4c(F)cccc4F)s3)C2)C1 ZINC000449342618 1110033647 /nfs/dbraw/zinc/03/36/47/1110033647.db2.gz CSRHSKFGFVYEGC-IBGZPJMESA-N 2 2 363.477 4.006 20 0 FIADLP CC(C)n1ccc(C[C@H](C)[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)n1 ZINC000449348953 1110037785 /nfs/dbraw/zinc/03/77/85/1110037785.db2.gz DJFAZVYWIVJNJR-HNNXBMFYSA-N 2 2 357.889 4.024 20 0 FIADLP CCOc1ccc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)cc1OC ZINC000449352673 1110038942 /nfs/dbraw/zinc/03/89/42/1110038942.db2.gz XOONFTMRECXCFJ-UHFFFAOYSA-N 2 2 371.868 4.223 20 0 FIADLP Cc1ccc2c(cc[nH+]c2NCCSCc2csc(C[NH+](C)C)n2)c1 ZINC001168108873 1110056354 /nfs/dbraw/zinc/05/63/54/1110056354.db2.gz IRIUFNBJGVXFPV-UHFFFAOYSA-N 2 2 372.563 4.407 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@H]3C(C)=CCC[C@H]3C)CC2)cc1 ZINC000449521320 1110097935 /nfs/dbraw/zinc/09/79/35/1110097935.db2.gz GKZMIOJNWWLRRS-JPYJTQIMSA-N 2 2 369.553 4.191 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C(C)=CCC[C@@H]3C)CC2)cc1 ZINC000449521318 1110097975 /nfs/dbraw/zinc/09/79/75/1110097975.db2.gz GKZMIOJNWWLRRS-FDDCHVKYSA-N 2 2 369.553 4.191 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC(C)=C[C@@H](C)C3)CC2)cc1 ZINC000449523127 1110098814 /nfs/dbraw/zinc/09/88/14/1110098814.db2.gz KXDARGRWMVGUPT-UTKZUKDTSA-N 2 2 369.553 4.191 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H](C(C)C)C3)CC2)cc1 ZINC000449526653 1110099331 /nfs/dbraw/zinc/09/93/31/1110099331.db2.gz XAQODYXQGRHXLF-NZQKXSOJSA-N 2 2 371.569 4.414 20 0 FIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)C3CCCCC3)CC2)cc1 ZINC000449526833 1110099861 /nfs/dbraw/zinc/09/98/61/1110099861.db2.gz XUAVSUXRCPZIIO-QGZVFWFLSA-N 2 2 357.542 4.168 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000449729329 1110154706 /nfs/dbraw/zinc/15/47/06/1110154706.db2.gz ALUWVWLGYKNNBT-HXUWFJFHSA-N 2 2 354.404 4.191 20 0 FIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000449729329 1110154709 /nfs/dbraw/zinc/15/47/09/1110154709.db2.gz ALUWVWLGYKNNBT-HXUWFJFHSA-N 2 2 354.404 4.191 20 0 FIADLP CCO[C@@H]1C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C12CCC2 ZINC000538409469 1111130498 /nfs/dbraw/zinc/13/04/98/1111130498.db2.gz QHYRKUPMNNJCJN-QHAWAJNXSA-N 2 2 353.510 4.179 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@@H](OCc3ccccc3)C1(C)C)CCC2 ZINC000538510109 1111174236 /nfs/dbraw/zinc/17/42/36/1111174236.db2.gz MMZXZLLQBKFSQX-XUVXKRRUSA-N 2 2 353.510 4.042 20 0 FIADLP C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000538638598 1111225415 /nfs/dbraw/zinc/22/54/15/1111225415.db2.gz ZWUVZNWPWHSNHJ-GOSISDBHSA-N 2 2 368.525 4.185 20 0 FIADLP CC(C)Cc1ncc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000538730784 1111267282 /nfs/dbraw/zinc/26/72/82/1111267282.db2.gz ORVMGRRZHFMQGI-IBGZPJMESA-N 2 2 357.567 4.296 20 0 FIADLP CC(C)Cc1ncc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000538730784 1111267284 /nfs/dbraw/zinc/26/72/84/1111267284.db2.gz ORVMGRRZHFMQGI-IBGZPJMESA-N 2 2 357.567 4.296 20 0 FIADLP CC(C)Cc1ncc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000538730784 1111267296 /nfs/dbraw/zinc/26/72/96/1111267296.db2.gz ORVMGRRZHFMQGI-IBGZPJMESA-N 2 2 357.567 4.296 20 0 FIADLP CC(C)Cc1ncc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000538730784 1111267298 /nfs/dbraw/zinc/26/72/98/1111267298.db2.gz ORVMGRRZHFMQGI-IBGZPJMESA-N 2 2 357.567 4.296 20 0 FIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(Cl)s1 ZINC000538723969 1111274793 /nfs/dbraw/zinc/27/47/93/1111274793.db2.gz JMRKPMFCNAPIAR-UHFFFAOYSA-N 3 2 370.006 4.030 20 0 FIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(Cl)s1 ZINC000538723969 1111274796 /nfs/dbraw/zinc/27/47/96/1111274796.db2.gz JMRKPMFCNAPIAR-UHFFFAOYSA-N 3 2 370.006 4.030 20 0 FIADLP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000538797863 1111295464 /nfs/dbraw/zinc/29/54/64/1111295464.db2.gz BWHXQIQPBFVCOY-OXJNMPFZSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000538797863 1111295465 /nfs/dbraw/zinc/29/54/65/1111295465.db2.gz BWHXQIQPBFVCOY-OXJNMPFZSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000538797863 1111295466 /nfs/dbraw/zinc/29/54/66/1111295466.db2.gz BWHXQIQPBFVCOY-OXJNMPFZSA-N 2 2 370.928 4.179 20 0 FIADLP Clc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000538797863 1111295467 /nfs/dbraw/zinc/29/54/67/1111295467.db2.gz BWHXQIQPBFVCOY-OXJNMPFZSA-N 2 2 370.928 4.179 20 0 FIADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000539092960 1111428560 /nfs/dbraw/zinc/42/85/60/1111428560.db2.gz HAZLFWWEXWYMEF-MRXNPFEDSA-N 2 2 369.322 4.428 20 0 FIADLP CC(C)CC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccoc1 ZINC000552067791 1111565153 /nfs/dbraw/zinc/56/51/53/1111565153.db2.gz YDDNMKNXOLACLG-VQTJNVASSA-N 2 2 356.514 4.404 20 0 FIADLP Cc1ccccc1[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC000553094318 1111905205 /nfs/dbraw/zinc/90/52/05/1111905205.db2.gz XEUALDQIZOSWQS-HSZRJFAPSA-N 2 2 352.522 4.314 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000553180544 1111925459 /nfs/dbraw/zinc/92/54/59/1111925459.db2.gz ZHKAIBAJLZJUEE-WIYYLYMNSA-N 2 2 368.569 4.203 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000553180544 1111925460 /nfs/dbraw/zinc/92/54/60/1111925460.db2.gz ZHKAIBAJLZJUEE-WIYYLYMNSA-N 2 2 368.569 4.203 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000553180544 1111925463 /nfs/dbraw/zinc/92/54/63/1111925463.db2.gz ZHKAIBAJLZJUEE-WIYYLYMNSA-N 2 2 368.569 4.203 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000553180544 1111925464 /nfs/dbraw/zinc/92/54/64/1111925464.db2.gz ZHKAIBAJLZJUEE-WIYYLYMNSA-N 2 2 368.569 4.203 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000553180541 1111925517 /nfs/dbraw/zinc/92/55/17/1111925517.db2.gz ZHKAIBAJLZJUEE-GHTZIAJQSA-N 2 2 368.569 4.203 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000553180541 1111925520 /nfs/dbraw/zinc/92/55/20/1111925520.db2.gz ZHKAIBAJLZJUEE-GHTZIAJQSA-N 2 2 368.569 4.203 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000553180541 1111925521 /nfs/dbraw/zinc/92/55/21/1111925521.db2.gz ZHKAIBAJLZJUEE-GHTZIAJQSA-N 2 2 368.569 4.203 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000553180541 1111925523 /nfs/dbraw/zinc/92/55/23/1111925523.db2.gz ZHKAIBAJLZJUEE-GHTZIAJQSA-N 2 2 368.569 4.203 20 0 FIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)Cc1ccc(Br)cc1)CCC2 ZINC000479268128 1111982817 /nfs/dbraw/zinc/98/28/17/1111982817.db2.gz YSNNJWPDSLFYPP-CJNGLKHVSA-N 2 2 362.315 4.052 20 0 FIADLP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CC([NH+]3CCCCC3)C1)CCCC2 ZINC000479523764 1112051899 /nfs/dbraw/zinc/05/18/99/1112051899.db2.gz GFCBBRCEEBIIPW-AOMIVXANSA-N 2 2 354.538 4.386 20 0 FIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000479529915 1112054075 /nfs/dbraw/zinc/05/40/75/1112054075.db2.gz RSAHSJMNBPWPQB-LHWDRQQYSA-N 2 2 367.512 4.357 20 0 FIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000479529915 1112054081 /nfs/dbraw/zinc/05/40/81/1112054081.db2.gz RSAHSJMNBPWPQB-LHWDRQQYSA-N 2 2 367.512 4.357 20 0 FIADLP Cc1cccc2[nH]c(C[N@@H+](C)C3CC[NH+](CCc4ccccn4)CC3)cc21 ZINC000667563936 1112163481 /nfs/dbraw/zinc/16/34/81/1112163481.db2.gz WHBMOQLWCBHMKC-UHFFFAOYSA-N 2 2 362.521 4.010 20 0 FIADLP Cc1cccc2[nH]c(C[N@H+](C)C3CC[NH+](CCc4ccccn4)CC3)cc21 ZINC000667563936 1112163484 /nfs/dbraw/zinc/16/34/84/1112163484.db2.gz WHBMOQLWCBHMKC-UHFFFAOYSA-N 2 2 362.521 4.010 20 0 FIADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000480080461 1112264968 /nfs/dbraw/zinc/26/49/68/1112264968.db2.gz GPTDFCOFGILLEM-ZFWWWQNUSA-N 2 2 355.345 4.060 20 0 FIADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000480080461 1112264971 /nfs/dbraw/zinc/26/49/71/1112264971.db2.gz GPTDFCOFGILLEM-ZFWWWQNUSA-N 2 2 355.345 4.060 20 0 FIADLP Brc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2ccco2)cc1 ZINC000554495205 1112376328 /nfs/dbraw/zinc/37/63/28/1112376328.db2.gz SWBYZPTZUQXQMD-GOSISDBHSA-N 2 2 374.282 4.398 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(-c3cccc(F)c3F)o1)CCC2 ZINC000480380011 1112405979 /nfs/dbraw/zinc/40/59/79/1112405979.db2.gz DDVPPWJLJNYYLM-CQSZACIVSA-N 2 2 357.404 4.397 20 0 FIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1nc(-c2ccccc2)cs1 ZINC000480774930 1112598559 /nfs/dbraw/zinc/59/85/59/1112598559.db2.gz OCVZIYIZZYCTIA-OAHLLOKOSA-N 2 2 352.507 4.236 20 0 FIADLP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CCc4[nH+]c[nH]c4C2)CCC3)cc1 ZINC000554998782 1112610235 /nfs/dbraw/zinc/61/02/35/1112610235.db2.gz UWYOUKQPQDNIBN-RDJZCZTQSA-N 2 2 364.518 4.366 20 0 FIADLP Cc1sc(C2([NH2+]CCn3cc[nH+]c3)CCC2)nc1-c1ccccc1F ZINC000555773559 1112992390 /nfs/dbraw/zinc/99/23/90/1112992390.db2.gz SXASOMNQSZSYLO-UHFFFAOYSA-N 2 2 356.470 4.123 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc2cc(Br)ccc2o1 ZINC000157794106 1113119527 /nfs/dbraw/zinc/11/95/27/1113119527.db2.gz HZNOZXVWNIYHFG-TYNCELHUSA-N 2 2 351.288 4.329 20 0 FIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc2cc(Br)ccc2o1 ZINC000157794106 1113119532 /nfs/dbraw/zinc/11/95/32/1113119532.db2.gz HZNOZXVWNIYHFG-TYNCELHUSA-N 2 2 351.288 4.329 20 0 FIADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000481929420 1113137922 /nfs/dbraw/zinc/13/79/22/1113137922.db2.gz CJZNYUJNYXSJEG-UHFFFAOYSA-N 2 2 365.521 4.208 20 0 FIADLP CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccco1 ZINC000481956597 1113140934 /nfs/dbraw/zinc/14/09/34/1113140934.db2.gz DFBUDHJXZURAEP-PXNSSMCTSA-N 2 2 352.482 4.199 20 0 FIADLP C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000482251864 1113211276 /nfs/dbraw/zinc/21/12/76/1113211276.db2.gz FZTZYMWAVWMCSV-MRXNPFEDSA-N 2 2 366.534 4.491 20 0 FIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000162926955 1113250226 /nfs/dbraw/zinc/25/02/26/1113250226.db2.gz BVQSALOFNOVEES-IBGZPJMESA-N 3 2 360.505 4.319 20 0 FIADLP Fc1c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cccc1OC1CC1 ZINC000668104810 1113331700 /nfs/dbraw/zinc/33/17/00/1113331700.db2.gz OCUVWQRAAWKUCN-QGZVFWFLSA-N 2 2 369.484 4.279 20 0 FIADLP Fc1c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cccc1OC1CC1 ZINC000668104810 1113331703 /nfs/dbraw/zinc/33/17/03/1113331703.db2.gz OCUVWQRAAWKUCN-QGZVFWFLSA-N 2 2 369.484 4.279 20 0 FIADLP COc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000483134934 1113450551 /nfs/dbraw/zinc/45/05/51/1113450551.db2.gz OAEIYVBXQNTPAM-MRXNPFEDSA-N 2 2 351.450 4.049 20 0 FIADLP C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483140757 1113452315 /nfs/dbraw/zinc/45/23/15/1113452315.db2.gz QVIVBPYHNZUNNH-XLIONFOSSA-N 2 2 364.468 4.331 20 0 FIADLP COc1cc(F)c([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC000483143457 1113452398 /nfs/dbraw/zinc/45/23/98/1113452398.db2.gz XJMXANXDWMPIBN-OAHLLOKOSA-N 2 2 364.505 4.291 20 0 FIADLP Clc1ccc(C2=CC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)cc1 ZINC000668693818 1113658575 /nfs/dbraw/zinc/65/85/75/1113658575.db2.gz WEOAMXRWAKXCAT-PZJWPPBQSA-N 2 2 360.929 4.119 20 0 FIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488135390 1113860788 /nfs/dbraw/zinc/86/07/88/1113860788.db2.gz DLCKVKNPBNOMCC-CQSZACIVSA-N 2 2 352.309 4.224 20 0 FIADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3cc4ccc(F)cc4[nH]3)C1)CCCC2 ZINC000488519442 1113948796 /nfs/dbraw/zinc/94/87/96/1113948796.db2.gz RLKOYGVJLMBLFP-GOSISDBHSA-N 2 2 352.457 4.138 20 0 FIADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3cc4ccc(F)cc4[nH]3)C1)CCCC2 ZINC000488519442 1113948802 /nfs/dbraw/zinc/94/88/02/1113948802.db2.gz RLKOYGVJLMBLFP-GOSISDBHSA-N 2 2 352.457 4.138 20 0 FIADLP C(C[NH+]1CCS[C@H]2CCCC[C@H]21)C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000489387306 1114096698 /nfs/dbraw/zinc/09/66/98/1114096698.db2.gz KMHXOLCTSBIUHZ-MKXGPGLRSA-N 2 2 354.629 4.097 20 0 FIADLP C(C[NH+]1CCS[C@H]2CCCC[C@H]21)C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000489387306 1114096703 /nfs/dbraw/zinc/09/67/03/1114096703.db2.gz KMHXOLCTSBIUHZ-MKXGPGLRSA-N 2 2 354.629 4.097 20 0 FIADLP C(C[NH+]1CCS[C@@H]2CCCC[C@H]21)C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000489387306 1114096706 /nfs/dbraw/zinc/09/67/06/1114096706.db2.gz KMHXOLCTSBIUHZ-MKXGPGLRSA-N 2 2 354.629 4.097 20 0 FIADLP C(C[NH+]1CCS[C@@H]2CCCC[C@H]21)C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000489387306 1114096710 /nfs/dbraw/zinc/09/67/10/1114096710.db2.gz KMHXOLCTSBIUHZ-MKXGPGLRSA-N 2 2 354.629 4.097 20 0 FIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490991152 1114360437 /nfs/dbraw/zinc/36/04/37/1114360437.db2.gz XHXZEXZOPBOUCR-CLCXKQKWSA-N 2 2 370.368 4.012 20 0 FIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490991152 1114360442 /nfs/dbraw/zinc/36/04/42/1114360442.db2.gz XHXZEXZOPBOUCR-CLCXKQKWSA-N 2 2 370.368 4.012 20 0 FIADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591083086 1115018727 /nfs/dbraw/zinc/01/87/27/1115018727.db2.gz NSXBUKNYSFHESK-VXKWHMMOSA-N 2 2 374.488 4.208 20 0 FIADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591083086 1115018733 /nfs/dbraw/zinc/01/87/33/1115018733.db2.gz NSXBUKNYSFHESK-VXKWHMMOSA-N 2 2 374.488 4.208 20 0 FIADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000593691443 1115343223 /nfs/dbraw/zinc/34/32/23/1115343223.db2.gz PUZIJOCWSUYTGK-NHCUHLMSSA-N 2 2 370.537 4.021 20 0 FIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(Br)cs1 ZINC000226393349 1115349929 /nfs/dbraw/zinc/34/99/29/1115349929.db2.gz QYKYHNDFYSTZPW-BXUZGUMPSA-N 2 2 356.333 4.473 20 0 FIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1ccccc1 ZINC000608075660 1116081080 /nfs/dbraw/zinc/08/10/80/1116081080.db2.gz WGDRKSFMICVLKP-FQEVSTJZSA-N 2 2 361.489 4.207 20 0 FIADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1SC(F)(F)F ZINC000173786076 1116088983 /nfs/dbraw/zinc/08/89/83/1116088983.db2.gz UHWATMKKSGXKQN-HNNXBMFYSA-N 2 2 374.472 4.225 20 0 FIADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1SC(F)(F)F ZINC000173786076 1116088986 /nfs/dbraw/zinc/08/89/86/1116088986.db2.gz UHWATMKKSGXKQN-HNNXBMFYSA-N 2 2 374.472 4.225 20 0 FIADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)sc1Br ZINC000539896086 1117739602 /nfs/dbraw/zinc/73/96/02/1117739602.db2.gz ISUQQHSQSKHGEA-CJNGLKHVSA-N 2 2 369.372 4.268 20 0 FIADLP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)sc1Br ZINC000539896086 1117739604 /nfs/dbraw/zinc/73/96/04/1117739604.db2.gz ISUQQHSQSKHGEA-CJNGLKHVSA-N 2 2 369.372 4.268 20 0 FIADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)sc1Br ZINC000539896086 1117739606 /nfs/dbraw/zinc/73/96/06/1117739606.db2.gz ISUQQHSQSKHGEA-CJNGLKHVSA-N 2 2 369.372 4.268 20 0 FIADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)sc1Br ZINC000539896086 1117739608 /nfs/dbraw/zinc/73/96/08/1117739608.db2.gz ISUQQHSQSKHGEA-CJNGLKHVSA-N 2 2 369.372 4.268 20 0 FIADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000539897710 1117740086 /nfs/dbraw/zinc/74/00/86/1117740086.db2.gz APWZJGBEVBAKBL-FUHWJXTLSA-N 2 2 366.933 4.054 20 0 FIADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000539897710 1117740088 /nfs/dbraw/zinc/74/00/88/1117740088.db2.gz APWZJGBEVBAKBL-FUHWJXTLSA-N 2 2 366.933 4.054 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000539897710 1117740089 /nfs/dbraw/zinc/74/00/89/1117740089.db2.gz APWZJGBEVBAKBL-FUHWJXTLSA-N 2 2 366.933 4.054 20 0 FIADLP CCCOc1c(Cl)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000539897710 1117740090 /nfs/dbraw/zinc/74/00/90/1117740090.db2.gz APWZJGBEVBAKBL-FUHWJXTLSA-N 2 2 366.933 4.054 20 0 FIADLP c1nc2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)ccc2[nH]1 ZINC000539898436 1117740536 /nfs/dbraw/zinc/74/05/36/1117740536.db2.gz XHDPEHGROSZSEI-NZQKXSOJSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)ccc2[nH]1 ZINC000539898436 1117740537 /nfs/dbraw/zinc/74/05/37/1117740537.db2.gz XHDPEHGROSZSEI-NZQKXSOJSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)ccc2[nH]1 ZINC000539898436 1117740539 /nfs/dbraw/zinc/74/05/39/1117740539.db2.gz XHDPEHGROSZSEI-NZQKXSOJSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)ccc2[nH]1 ZINC000539898436 1117740540 /nfs/dbraw/zinc/74/05/40/1117740540.db2.gz XHDPEHGROSZSEI-NZQKXSOJSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cc2[nH]1 ZINC000539898436 1117740541 /nfs/dbraw/zinc/74/05/41/1117740541.db2.gz XHDPEHGROSZSEI-NZQKXSOJSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cc2[nH]1 ZINC000539898436 1117740543 /nfs/dbraw/zinc/74/05/43/1117740543.db2.gz XHDPEHGROSZSEI-NZQKXSOJSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2[nH]1 ZINC000539898436 1117740544 /nfs/dbraw/zinc/74/05/44/1117740544.db2.gz XHDPEHGROSZSEI-NZQKXSOJSA-N 2 2 360.505 4.049 20 0 FIADLP c1nc2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)cc2[nH]1 ZINC000539898436 1117740545 /nfs/dbraw/zinc/74/05/45/1117740545.db2.gz XHDPEHGROSZSEI-NZQKXSOJSA-N 2 2 360.505 4.049 20 0 FIADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000462818093 1117794015 /nfs/dbraw/zinc/79/40/15/1117794015.db2.gz PRQKXKPCLAWEQG-KKSFZXQISA-N 2 2 359.583 4.251 20 0 FIADLP COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540141520 1117893530 /nfs/dbraw/zinc/89/35/30/1117893530.db2.gz FJEUPLPGSUKTBH-ZWKOTPCHSA-N 2 2 365.477 4.247 20 0 FIADLP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463113751 1117970251 /nfs/dbraw/zinc/97/02/51/1117970251.db2.gz CPHCJWSXSILUBI-IBGZPJMESA-N 2 2 352.522 4.443 20 0 FIADLP COc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C2CC2)cc1 ZINC000540300832 1117975249 /nfs/dbraw/zinc/97/52/49/1117975249.db2.gz GTESIEWRBQFSES-LAUBAEHRSA-N 2 2 353.510 4.245 20 0 FIADLP C[C@@H]1C[C@H](NC[C@H](c2cccc(F)c2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463137724 1117986150 /nfs/dbraw/zinc/98/61/50/1117986150.db2.gz MPAHNAJJIMJDTC-SXSPYAJSSA-N 2 2 369.528 4.071 20 0 FIADLP C[C@@H]1C[C@H](NC[C@H](c2cccc(F)c2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463137724 1117986153 /nfs/dbraw/zinc/98/61/53/1117986153.db2.gz MPAHNAJJIMJDTC-SXSPYAJSSA-N 2 2 369.528 4.071 20 0 FIADLP CCc1cnccc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000540314620 1117988173 /nfs/dbraw/zinc/98/81/73/1117988173.db2.gz RMPOQUHYTDDKFT-KRWDZBQOSA-N 2 2 355.501 4.141 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000463211564 1118023513 /nfs/dbraw/zinc/02/35/13/1118023513.db2.gz HCPAEGYYVSCMFJ-BHDDXSALSA-N 2 2 353.510 4.086 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000463211564 1118023520 /nfs/dbraw/zinc/02/35/20/1118023520.db2.gz HCPAEGYYVSCMFJ-BHDDXSALSA-N 2 2 353.510 4.086 20 0 FIADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000463263676 1118058156 /nfs/dbraw/zinc/05/81/56/1118058156.db2.gz DDMOZZNRDNMIRY-YRISNDGFSA-N 2 2 354.469 4.292 20 0 FIADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)CC[N@H+]1Cc1ccccc1 ZINC000463263676 1118058162 /nfs/dbraw/zinc/05/81/62/1118058162.db2.gz DDMOZZNRDNMIRY-YRISNDGFSA-N 2 2 354.469 4.292 20 0 FIADLP COCC[N@H+](CCCn1cc[nH+]c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000540555536 1118126902 /nfs/dbraw/zinc/12/69/02/1118126902.db2.gz LAUVFWPBKOJIJL-OAHLLOKOSA-N 2 2 355.404 4.002 20 0 FIADLP COCC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000540555536 1118126907 /nfs/dbraw/zinc/12/69/07/1118126907.db2.gz LAUVFWPBKOJIJL-OAHLLOKOSA-N 2 2 355.404 4.002 20 0 FIADLP Cn1c2ccc(Cl)cc2nc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541202459 1118422288 /nfs/dbraw/zinc/42/22/88/1118422288.db2.gz JFLTVHFGCWAINP-UHFFFAOYSA-N 2 2 371.916 4.116 20 0 FIADLP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132905 1118808316 /nfs/dbraw/zinc/80/83/16/1118808316.db2.gz DDDJDEJUGBIEBO-UHFFFAOYSA-N 2 2 369.509 4.177 20 0 FIADLP CC(C)Oc1ccccc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174654365 1119140105 /nfs/dbraw/zinc/14/01/05/1119140105.db2.gz JHYHACFRQCKOGE-UHFFFAOYSA-N 2 2 367.537 4.008 20 0 FIADLP CC(C)Oc1ccccc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174654365 1119140110 /nfs/dbraw/zinc/14/01/10/1119140110.db2.gz JHYHACFRQCKOGE-UHFFFAOYSA-N 2 2 367.537 4.008 20 0 FIADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)CC3 ZINC000493224935 1119352646 /nfs/dbraw/zinc/35/26/46/1119352646.db2.gz FXENKZNSOLTLFF-GOSISDBHSA-N 2 2 356.473 4.309 20 0 FIADLP COCC[N@H+](CCCc1ccccc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542466127 1119434458 /nfs/dbraw/zinc/43/44/58/1119434458.db2.gz GYIPCETWEXQPFD-UHFFFAOYSA-N 2 2 355.507 4.015 20 0 FIADLP COCC[N@@H+](CCCc1ccccc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542466127 1119434463 /nfs/dbraw/zinc/43/44/63/1119434463.db2.gz GYIPCETWEXQPFD-UHFFFAOYSA-N 2 2 355.507 4.015 20 0 FIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cc(Br)cs1)CCC2 ZINC000493767826 1119494213 /nfs/dbraw/zinc/49/42/13/1119494213.db2.gz NTZZVXBNIZYYRW-NWDGAFQWSA-N 2 2 354.317 4.244 20 0 FIADLP FC(F)(F)C1CCC(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000186587765 1119738568 /nfs/dbraw/zinc/73/85/68/1119738568.db2.gz FWUUPCLQEZGYJE-UHFFFAOYSA-N 2 2 351.416 4.390 20 0 FIADLP COc1ccc2nc(C[NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)sc2c1 ZINC000187490668 1119785810 /nfs/dbraw/zinc/78/58/10/1119785810.db2.gz VUFGVMJCNXCAKG-CABCVRRESA-N 2 2 359.539 4.048 20 0 FIADLP COc1ccc2nc(C[NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)sc2c1 ZINC000187490668 1119785816 /nfs/dbraw/zinc/78/58/16/1119785816.db2.gz VUFGVMJCNXCAKG-CABCVRRESA-N 2 2 359.539 4.048 20 0 FIADLP Brc1cccc(-c2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)o2)c1 ZINC000494424743 1119855662 /nfs/dbraw/zinc/85/56/62/1119855662.db2.gz JAYCBGQMPYRVJZ-OAHLLOKOSA-N 2 2 372.266 4.010 20 0 FIADLP Fc1ccc([C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c2cccnc2)cc1 ZINC000542482945 1119867084 /nfs/dbraw/zinc/86/70/84/1119867084.db2.gz ZTAHLSIYTMYDJJ-HSZRJFAPSA-N 2 2 372.447 4.345 20 0 FIADLP Cc1cc([C@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)c2cccnc2)ccc1F ZINC000542488450 1119965006 /nfs/dbraw/zinc/96/50/06/1119965006.db2.gz GOTSVJVGLDKOMJ-GCJKJVERSA-N 2 2 355.501 4.473 20 0 FIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000192160292 1120033509 /nfs/dbraw/zinc/03/35/09/1120033509.db2.gz WTJBTGGZOLJRKC-SFHVURJKSA-N 2 2 357.461 4.217 20 0 FIADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193009748 1120094706 /nfs/dbraw/zinc/09/47/06/1120094706.db2.gz PMDHPWZBGPYHEL-UHFFFAOYSA-N 2 2 367.518 4.466 20 0 FIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](c3ccco3)c3ccccc3)[nH+]c2)C1 ZINC000542501390 1120231204 /nfs/dbraw/zinc/23/12/04/1120231204.db2.gz WVXFRXWOCRPPQN-KNQAVFIVSA-N 2 2 362.477 4.016 20 0 FIADLP Fc1cccc(F)c1-c1csc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000542515529 1120333033 /nfs/dbraw/zinc/33/30/33/1120333033.db2.gz OVVSKHJGZSHEKL-UHFFFAOYSA-N 2 2 360.433 4.191 20 0 FIADLP CC[NH+](CC)[C@H](C[NH2+]C1CCC(c2nc(C)no2)CC1)c1ccccc1 ZINC000494914444 1120374760 /nfs/dbraw/zinc/37/47/60/1120374760.db2.gz IAHDKYXUUMLLLB-SOAGJPPSSA-N 2 2 356.514 4.077 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000494937446 1120389815 /nfs/dbraw/zinc/38/98/15/1120389815.db2.gz MUHVRFKATJCWPE-SUMWQHHRSA-N 2 2 366.431 4.010 20 0 FIADLP C[C@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000494937446 1120389821 /nfs/dbraw/zinc/38/98/21/1120389821.db2.gz MUHVRFKATJCWPE-SUMWQHHRSA-N 2 2 366.431 4.010 20 0 FIADLP C[C@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000494937446 1120389827 /nfs/dbraw/zinc/38/98/27/1120389827.db2.gz MUHVRFKATJCWPE-SUMWQHHRSA-N 2 2 366.431 4.010 20 0 FIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000494937446 1120389834 /nfs/dbraw/zinc/38/98/34/1120389834.db2.gz MUHVRFKATJCWPE-SUMWQHHRSA-N 2 2 366.431 4.010 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000494937443 1120390023 /nfs/dbraw/zinc/39/00/23/1120390023.db2.gz MUHVRFKATJCWPE-CXAGYDPISA-N 2 2 366.431 4.010 20 0 FIADLP C[C@@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000494937443 1120390028 /nfs/dbraw/zinc/39/00/28/1120390028.db2.gz MUHVRFKATJCWPE-CXAGYDPISA-N 2 2 366.431 4.010 20 0 FIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000494937443 1120390037 /nfs/dbraw/zinc/39/00/37/1120390037.db2.gz MUHVRFKATJCWPE-CXAGYDPISA-N 2 2 366.431 4.010 20 0 FIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000494937443 1120390045 /nfs/dbraw/zinc/39/00/45/1120390045.db2.gz MUHVRFKATJCWPE-CXAGYDPISA-N 2 2 366.431 4.010 20 0 FIADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000495049959 1120445699 /nfs/dbraw/zinc/44/56/99/1120445699.db2.gz UCVOPVKBVRXAIO-XLIONFOSSA-N 2 2 357.473 4.170 20 0 FIADLP COCC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(C)o1 ZINC000495410653 1120787147 /nfs/dbraw/zinc/78/71/47/1120787147.db2.gz YKJQQHHWCFUZEB-NRFANRHFSA-N 2 2 374.500 4.101 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495431940 1120816757 /nfs/dbraw/zinc/81/67/57/1120816757.db2.gz GALCVQMOGDVRFX-MZKRTTBSSA-N 3 2 374.532 4.434 20 0 FIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495431940 1120816770 /nfs/dbraw/zinc/81/67/70/1120816770.db2.gz GALCVQMOGDVRFX-MZKRTTBSSA-N 3 2 374.532 4.434 20 0 FIADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)ncc2F)C1 ZINC000762760843 1120960470 /nfs/dbraw/zinc/96/04/70/1120960470.db2.gz HWCCOXWGOKHIQE-ZIAGYGMSSA-N 2 2 372.326 4.002 20 0 FIADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)ncc2F)C1 ZINC000762760843 1120960471 /nfs/dbraw/zinc/96/04/71/1120960471.db2.gz HWCCOXWGOKHIQE-ZIAGYGMSSA-N 2 2 372.326 4.002 20 0 FIADLP Brc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000236635877 1120968375 /nfs/dbraw/zinc/96/83/75/1120968375.db2.gz UCCKORDSOOKPTO-GOSISDBHSA-N 2 2 372.310 4.090 20 0 FIADLP COc1ccsc1[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000186178714 1121253688 /nfs/dbraw/zinc/25/36/88/1121253688.db2.gz MLFHFHNYQFIUKK-HNNXBMFYSA-N 2 2 359.539 4.142 20 0 FIADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000915879989 1121306500 /nfs/dbraw/zinc/30/65/00/1121306500.db2.gz AHPJLZRSJODVNK-XXBNENTESA-N 2 2 352.522 4.443 20 0 FIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)CSC(C)(C)C)CCOCC1)c1ccccc1 ZINC000153936020 1121465475 /nfs/dbraw/zinc/46/54/75/1121465475.db2.gz BTYITYLXELGJKA-ZWKOTPCHSA-N 2 2 364.599 4.396 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)ccc2OCc2cccnc2)CC[N@@H+]1C ZINC000123894441 1121643732 /nfs/dbraw/zinc/64/37/32/1121643732.db2.gz FINTWGMLGYILPV-JXFKEZNVSA-N 2 2 373.928 4.229 20 0 FIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)ccc2OCc2cccnc2)CC[N@H+]1C ZINC000123894441 1121643738 /nfs/dbraw/zinc/64/37/38/1121643738.db2.gz FINTWGMLGYILPV-JXFKEZNVSA-N 2 2 373.928 4.229 20 0 FIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OCc2cccnc2)CC[NH+]1C ZINC000123894441 1121643745 /nfs/dbraw/zinc/64/37/45/1121643745.db2.gz FINTWGMLGYILPV-JXFKEZNVSA-N 2 2 373.928 4.229 20 0 FIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OCc2cccnc2)CC[NH+]1C ZINC000123894441 1121643749 /nfs/dbraw/zinc/64/37/49/1121643749.db2.gz FINTWGMLGYILPV-JXFKEZNVSA-N 2 2 373.928 4.229 20 0 FIADLP C[C@H](C[NH2+]Cc1ccccc1OCc1ccc(F)cc1F)Cn1cc[nH+]c1 ZINC001649101927 1121797914 /nfs/dbraw/zinc/79/79/14/1121797914.db2.gz RRTNSYOVXLGJEF-MRXNPFEDSA-N 2 2 371.431 4.166 20 0 FIADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCCO2 ZINC000126539733 1121964282 /nfs/dbraw/zinc/96/42/82/1121964282.db2.gz OKTRFPLXPAIXQV-FQEVSTJZSA-N 2 2 353.510 4.389 20 0 FIADLP C[C@H](C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc(F)cc1 ZINC000127960353 1122168366 /nfs/dbraw/zinc/16/83/66/1122168366.db2.gz ASDOHDZSGJDCSJ-MOPGFXCFSA-N 2 2 370.512 4.419 20 0 FIADLP C[C@@H](C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccc(F)cc1 ZINC000127960590 1122168437 /nfs/dbraw/zinc/16/84/37/1122168437.db2.gz ASDOHDZSGJDCSJ-RBUKOAKNSA-N 2 2 370.512 4.419 20 0 FIADLP COc1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccco2)cc1 ZINC000497409888 1122220987 /nfs/dbraw/zinc/22/09/87/1122220987.db2.gz AYWZFGXRKOPPHP-JOCHJYFZSA-N 2 2 363.461 4.031 20 0 FIADLP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444796142 1122622623 /nfs/dbraw/zinc/62/26/23/1122622623.db2.gz VUFZALSWUYORIU-UKRRQHHQSA-N 2 2 371.872 4.064 20 0 FIADLP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444796142 1122622627 /nfs/dbraw/zinc/62/26/27/1122622627.db2.gz VUFZALSWUYORIU-UKRRQHHQSA-N 2 2 371.872 4.064 20 0 FIADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Sc1ccccc1 ZINC000129766879 1122695691 /nfs/dbraw/zinc/69/56/91/1122695691.db2.gz VIJDZTWRQAYBTG-OPYAIIAOSA-N 2 2 355.551 4.062 20 0 FIADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Sc1ccccc1 ZINC000129766879 1122695695 /nfs/dbraw/zinc/69/56/95/1122695695.db2.gz VIJDZTWRQAYBTG-OPYAIIAOSA-N 2 2 355.551 4.062 20 0 FIADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(C)c1OC ZINC000556869170 1123151355 /nfs/dbraw/zinc/15/13/55/1123151355.db2.gz GKZDKUSVKDMDBH-INIZCTEOSA-N 2 2 351.450 4.049 20 0 FIADLP Fc1cccc(N2CCCC2)c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000556914052 1123223415 /nfs/dbraw/zinc/22/34/15/1123223415.db2.gz XVEACVDGALEMKT-UHFFFAOYSA-N 2 2 359.533 4.313 20 0 FIADLP CCc1nc2c(s1)[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCC2 ZINC000132203853 1123229698 /nfs/dbraw/zinc/22/96/98/1123229698.db2.gz FQRSQJKNZZBYRE-KRWDZBQOSA-N 2 2 366.534 4.160 20 0 FIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CSCCc3ccccc32)[nH+]1 ZINC000132265157 1123237264 /nfs/dbraw/zinc/23/72/64/1123237264.db2.gz SFMITTJLDQJPAO-NRFANRHFSA-N 2 2 363.530 4.094 20 0 FIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+]2CCC[C@H]2C(C)C)c1=S ZINC000920486180 1123462855 /nfs/dbraw/zinc/46/28/55/1123462855.db2.gz ZWGKMHGJJPSFCC-IRXDYDNUSA-N 2 2 367.607 4.305 20 0 FIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+]2CCC[C@H]2C(C)C)c1=S ZINC000920486180 1123462857 /nfs/dbraw/zinc/46/28/57/1123462857.db2.gz ZWGKMHGJJPSFCC-IRXDYDNUSA-N 2 2 367.607 4.305 20 0 FIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000136919979 1123947999 /nfs/dbraw/zinc/94/79/99/1123947999.db2.gz KYWCNTWBYUDQSJ-LJQANCHMSA-N 2 2 370.459 4.171 20 0 FIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000136919979 1123948003 /nfs/dbraw/zinc/94/80/03/1123948003.db2.gz KYWCNTWBYUDQSJ-LJQANCHMSA-N 2 2 370.459 4.171 20 0 FIADLP c1cn(C2CCCC2)nc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245641019 1124158722 /nfs/dbraw/zinc/15/87/22/1124158722.db2.gz ATHLKCOVJWQJIF-MUSUJDOFSA-N 2 2 364.537 4.283 20 0 FIADLP c1cn(C2CCCC2)nc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245641019 1124158726 /nfs/dbraw/zinc/15/87/26/1124158726.db2.gz ATHLKCOVJWQJIF-MUSUJDOFSA-N 2 2 364.537 4.283 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(F)c1F ZINC000245870330 1124268223 /nfs/dbraw/zinc/26/82/23/1124268223.db2.gz JFEKYUIMAWUNQX-JKSUJKDBSA-N 2 2 360.448 4.036 20 0 FIADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(F)c1F ZINC000245870330 1124268234 /nfs/dbraw/zinc/26/82/34/1124268234.db2.gz JFEKYUIMAWUNQX-JKSUJKDBSA-N 2 2 360.448 4.036 20 0 FIADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000542840334 1124437374 /nfs/dbraw/zinc/43/73/74/1124437374.db2.gz DFGJUSSNJWYCNZ-INIZCTEOSA-N 2 2 374.960 4.207 20 0 FIADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000542840334 1124437377 /nfs/dbraw/zinc/43/73/77/1124437377.db2.gz DFGJUSSNJWYCNZ-INIZCTEOSA-N 2 2 374.960 4.207 20 0 FIADLP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000246947863 1124575537 /nfs/dbraw/zinc/57/55/37/1124575537.db2.gz HYRODUKMWDTPKL-VJBMBRPKSA-N 2 2 351.538 4.321 20 0 FIADLP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000246947863 1124575540 /nfs/dbraw/zinc/57/55/40/1124575540.db2.gz HYRODUKMWDTPKL-VJBMBRPKSA-N 2 2 351.538 4.321 20 0 FIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000247110455 1124591597 /nfs/dbraw/zinc/59/15/97/1124591597.db2.gz QLXRRCHLYQRHOL-YADARESESA-N 2 2 359.517 4.278 20 0 FIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000247110455 1124591605 /nfs/dbraw/zinc/59/16/05/1124591605.db2.gz QLXRRCHLYQRHOL-YADARESESA-N 2 2 359.517 4.278 20 0 FIADLP C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000247788799 1124726227 /nfs/dbraw/zinc/72/62/27/1124726227.db2.gz YVSUEBDHBXWXPL-AUUYWEPGSA-N 2 2 356.857 4.275 20 0 FIADLP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000247788799 1124726235 /nfs/dbraw/zinc/72/62/35/1124726235.db2.gz YVSUEBDHBXWXPL-AUUYWEPGSA-N 2 2 356.857 4.275 20 0 FIADLP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000248013291 1124736851 /nfs/dbraw/zinc/73/68/51/1124736851.db2.gz LMKUEYGKFHOKAZ-GCKMJXCFSA-N 2 2 374.550 4.499 20 0 FIADLP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000248013291 1124736852 /nfs/dbraw/zinc/73/68/52/1124736852.db2.gz LMKUEYGKFHOKAZ-GCKMJXCFSA-N 2 2 374.550 4.499 20 0 FIADLP Brc1c2ccccc2oc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000656252608 1124843281 /nfs/dbraw/zinc/84/32/81/1124843281.db2.gz CSDJATSQXAEDEG-UHFFFAOYSA-N 2 2 360.255 4.298 20 0 FIADLP COc1ccc([C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C2CC2)cc1 ZINC000091283299 1125061028 /nfs/dbraw/zinc/06/10/28/1125061028.db2.gz QTZBOTKAGLEXRB-QHCPKHFHSA-N 2 2 361.489 4.223 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1nc2ccccc2n1C ZINC000091346767 1125067475 /nfs/dbraw/zinc/06/74/75/1125067475.db2.gz UQRTVQXYKGGQMI-YRNRMSPPSA-N 2 2 368.550 4.369 20 0 FIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1nc2ccccc2n1C ZINC000091346767 1125067484 /nfs/dbraw/zinc/06/74/84/1125067484.db2.gz UQRTVQXYKGGQMI-YRNRMSPPSA-N 2 2 368.550 4.369 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1nc2ccccc2n1C ZINC000091368161 1125068145 /nfs/dbraw/zinc/06/81/45/1125068145.db2.gz TUBGUUULHLXZGT-BJLQDIEVSA-N 2 2 362.521 4.277 20 0 FIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1nc2ccccc2n1C ZINC000091368161 1125068155 /nfs/dbraw/zinc/06/81/55/1125068155.db2.gz TUBGUUULHLXZGT-BJLQDIEVSA-N 2 2 362.521 4.277 20 0 FIADLP COC[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc(Cl)c1F ZINC000672603838 1125193697 /nfs/dbraw/zinc/19/36/97/1125193697.db2.gz YLGHHMKIFFCLNX-GOSISDBHSA-N 2 2 368.855 4.157 20 0 FIADLP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000604069334 568205983 /nfs/dbraw/zinc/20/59/83/568205983.db2.gz TVJPXOODJMDVSJ-NRFANRHFSA-N 2 2 368.521 4.238 20 0 FIADLP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1OC ZINC000604069334 568205984 /nfs/dbraw/zinc/20/59/84/568205984.db2.gz TVJPXOODJMDVSJ-NRFANRHFSA-N 2 2 368.521 4.238 20 0 FIADLP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1OCC ZINC000604069973 568206163 /nfs/dbraw/zinc/20/61/63/568206163.db2.gz VAQSYJDWBBGIIN-OAQYLSRUSA-N 2 2 368.521 4.238 20 0 FIADLP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1OCC ZINC000604069973 568206164 /nfs/dbraw/zinc/20/61/64/568206164.db2.gz VAQSYJDWBBGIIN-OAQYLSRUSA-N 2 2 368.521 4.238 20 0 FIADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000563120078 568224809 /nfs/dbraw/zinc/22/48/09/568224809.db2.gz QNZOPSGHSADHDO-UNMCSNQZSA-N 3 2 355.570 4.038 20 0 FIADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000563120078 568224810 /nfs/dbraw/zinc/22/48/10/568224810.db2.gz QNZOPSGHSADHDO-UNMCSNQZSA-N 3 2 355.570 4.038 20 0 FIADLP C[C@H]1CCCC[NH+]1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120078 568224812 /nfs/dbraw/zinc/22/48/12/568224812.db2.gz QNZOPSGHSADHDO-UNMCSNQZSA-N 3 2 355.570 4.038 20 0 FIADLP Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1Oc1cc[nH+]cc1 ZINC000604315943 568245978 /nfs/dbraw/zinc/24/59/78/568245978.db2.gz DFOPTLXZVHYOOL-KRWDZBQOSA-N 2 2 367.493 4.034 20 0 FIADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)o1 ZINC000303534146 568290791 /nfs/dbraw/zinc/29/07/91/568290791.db2.gz IBDHNNLVNOXQEF-MRXNPFEDSA-N 2 2 352.482 4.197 20 0 FIADLP Brc1ccc(/C=C/CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000604997994 568508251 /nfs/dbraw/zinc/50/82/51/568508251.db2.gz YHIRNWFGVJDGDB-YDZHWAMISA-N 2 2 360.299 4.386 20 0 FIADLP Brc1ccc(/C=C/CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000604997994 568508252 /nfs/dbraw/zinc/50/82/52/568508252.db2.gz YHIRNWFGVJDGDB-YDZHWAMISA-N 2 2 360.299 4.386 20 0 FIADLP Cc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)[nH+]c2ccccc12 ZINC001164952585 722017150 /nfs/dbraw/zinc/01/71/50/722017150.db2.gz NZMOPQQQRMFJTH-UHFFFAOYSA-N 2 2 372.516 4.431 20 0 FIADLP Cc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)[nH+]c2ccccc12 ZINC001164952585 722017152 /nfs/dbraw/zinc/01/71/52/722017152.db2.gz NZMOPQQQRMFJTH-UHFFFAOYSA-N 2 2 372.516 4.431 20 0 FIADLP Cc1cccc2c1cc[nH+]c2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164953635 722017584 /nfs/dbraw/zinc/01/75/84/722017584.db2.gz WJHVKSVEXNMRMA-UHFFFAOYSA-N 2 2 372.516 4.431 20 0 FIADLP Cc1cccc2c1cc[nH+]c2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164953635 722017587 /nfs/dbraw/zinc/01/75/87/722017587.db2.gz WJHVKSVEXNMRMA-UHFFFAOYSA-N 2 2 372.516 4.431 20 0 FIADLP