smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCn1c(C)c[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000575316424 1020945656 /nfs/dbraw/zinc/94/56/56/1020945656.db2.gz NHNLMOSLGOBUKY-OAHLLOKOSA-N 2 2 303.475 3.961 50 0 DHAALP CCCn1c(C)c[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000575316424 1020945663 /nfs/dbraw/zinc/94/56/63/1020945663.db2.gz NHNLMOSLGOBUKY-OAHLLOKOSA-N 2 2 303.475 3.961 50 0 DHAALP COc1cc[nH+]c(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)c1 ZINC000072174001 191069190 /nfs/dbraw/zinc/06/91/90/191069190.db2.gz VLEZOHVAXIAMJM-INIZCTEOSA-N 2 2 312.413 3.538 50 0 DHAALP Cc1[nH+]cc(C[NH2+][C@H]2CCOc3ccccc32)n1-c1ccccc1 ZINC000072307110 191117975 /nfs/dbraw/zinc/11/79/75/191117975.db2.gz DWEUJRKHYLBJIH-IBGZPJMESA-N 2 2 319.408 3.794 50 0 DHAALP CCCCn1cc[nH+]c1C1CCN(c2cc[nH+]cc2F)CC1 ZINC000091745924 193100557 /nfs/dbraw/zinc/10/05/57/193100557.db2.gz NEFIPRHUBZTBPU-UHFFFAOYSA-N 2 2 302.397 3.601 50 0 DHAALP CC(C)Oc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1Cl ZINC000284461674 131082136 /nfs/dbraw/zinc/08/21/36/131082136.db2.gz TXOIAXMEJDXCLE-ZDUSSCGKSA-N 2 2 307.825 3.675 50 0 DHAALP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375270726 337006991 /nfs/dbraw/zinc/00/69/91/337006991.db2.gz WTRGNMQPPAGTMV-KRWDZBQOSA-N 2 2 311.429 3.531 50 0 DHAALP Cc1[nH]c(C[N@@H+]2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)c[nH+]1 ZINC000011664856 563358741 /nfs/dbraw/zinc/35/87/41/563358741.db2.gz XYDAALYRHDJYIK-HNNXBMFYSA-N 2 2 319.399 3.841 50 0 DHAALP Cc1[nH]c(C[N@H+]2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)c[nH+]1 ZINC000011664856 563358744 /nfs/dbraw/zinc/35/87/44/563358744.db2.gz XYDAALYRHDJYIK-HNNXBMFYSA-N 2 2 319.399 3.841 50 0 DHAALP C[C@H](c1cccc(-c2[nH+]ccn2CCc2ccccn2)c1)[NH+](C)C ZINC000067447071 563487468 /nfs/dbraw/zinc/48/74/68/563487468.db2.gz OADKLFFAUSWJGQ-MRXNPFEDSA-N 2 2 320.440 3.810 50 0 DHAALP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)n1C ZINC000071762456 563500812 /nfs/dbraw/zinc/50/08/12/563500812.db2.gz TYDGDCVGZGQASI-KRWDZBQOSA-N 2 2 315.436 3.712 50 0 DHAALP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)n1C ZINC000071762456 563500815 /nfs/dbraw/zinc/50/08/15/563500815.db2.gz TYDGDCVGZGQASI-KRWDZBQOSA-N 2 2 315.436 3.712 50 0 DHAALP CSCc1ccc(N2CCC(C3CC[NH+](C)CC3)CC2)[nH+]c1 ZINC000077376490 563509353 /nfs/dbraw/zinc/50/93/53/563509353.db2.gz RKDNSAKTULVVNP-UHFFFAOYSA-N 2 2 319.518 3.503 50 0 DHAALP Cc1cc(N2CCC[C@H](Cn3cc[nH+]c3)C2)c2ccccc2[nH+]1 ZINC000077378296 563509478 /nfs/dbraw/zinc/50/94/78/563509478.db2.gz KZXUUKOYNGVJSF-MRXNPFEDSA-N 2 2 306.413 3.656 50 0 DHAALP Cc1cc(C(F)(F)F)cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)[nH+]1 ZINC000077564272 563511869 /nfs/dbraw/zinc/51/18/69/563511869.db2.gz FCJPCMANMXCQRA-LLVKDONJSA-N 2 2 310.323 3.516 50 0 DHAALP Cc1cccc(Cn2cc(C[NH2+]CC[NH+](C)C)c3ccccc32)c1 ZINC000248047236 563782887 /nfs/dbraw/zinc/78/28/87/563782887.db2.gz WQFPIVLHFTYKPY-UHFFFAOYSA-N 2 2 321.468 3.649 50 0 DHAALP Clc1ccsc1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC000670453168 563944590 /nfs/dbraw/zinc/94/45/90/563944590.db2.gz ZRNLNUMJZIVTDU-UHFFFAOYSA-N 2 2 308.834 3.840 50 0 DHAALP Cc1c[nH+]c(C2CC2)n1[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000575550217 1020976179 /nfs/dbraw/zinc/97/61/79/1020976179.db2.gz RWZNLJCYZTXWHO-MRXNPFEDSA-N 2 2 317.383 3.794 50 0 DHAALP Cc1c[nH+]c(C2CC2)n1[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000575550217 1020976190 /nfs/dbraw/zinc/97/61/90/1020976190.db2.gz RWZNLJCYZTXWHO-MRXNPFEDSA-N 2 2 317.383 3.794 50 0 DHAALP Cc1c[nH+]c(-c2ccccc2)n1CC1CC[NH+](CC2CC2)CC1 ZINC000575549955 1029880677 /nfs/dbraw/zinc/88/06/77/1029880677.db2.gz QOWRSHWTBSNAKM-UHFFFAOYSA-N 2 2 309.457 3.981 50 0 DHAALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000082171020 185174470 /nfs/dbraw/zinc/17/44/70/185174470.db2.gz NHSQTHODLXYZDF-ZDUSSCGKSA-N 2 2 307.800 3.592 50 0 DHAALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000082171020 185174471 /nfs/dbraw/zinc/17/44/71/185174471.db2.gz NHSQTHODLXYZDF-ZDUSSCGKSA-N 2 2 307.800 3.592 50 0 DHAALP Cc1cccc(C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000072143582 191049460 /nfs/dbraw/zinc/04/94/60/191049460.db2.gz SJKIUHQHURWTDB-MRXNPFEDSA-N 2 2 320.440 3.721 50 0 DHAALP Cc1cccc(C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000072143582 191049462 /nfs/dbraw/zinc/04/94/62/191049462.db2.gz SJKIUHQHURWTDB-MRXNPFEDSA-N 2 2 320.440 3.721 50 0 DHAALP CCn1cc[nH+]c1CN(C)CC1([NH+]2CCCCC2)CCCCC1 ZINC000072410943 191154245 /nfs/dbraw/zinc/15/42/45/191154245.db2.gz QXVCALOTJDNDFN-UHFFFAOYSA-N 2 2 318.509 3.524 50 0 DHAALP c1[nH]c2ccccc2c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000022777630 182334248 /nfs/dbraw/zinc/33/42/48/182334248.db2.gz QPMHVFROEIFKCB-GOSISDBHSA-N 2 2 305.425 3.532 50 0 DHAALP c1[nH]c2ccccc2c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000022777630 182334250 /nfs/dbraw/zinc/33/42/50/182334250.db2.gz QPMHVFROEIFKCB-GOSISDBHSA-N 2 2 305.425 3.532 50 0 DHAALP Cc1ccc2[nH]c(CCC[NH2+][C@@H]3CCCSC3)[nH+]c2c1C ZINC000534642190 334305990 /nfs/dbraw/zinc/30/59/90/334305990.db2.gz UZHCVECMBKXEKK-CQSZACIVSA-N 2 2 303.475 3.598 50 0 DHAALP Cc1ccc2[nH+]c(CCC[NH2+][C@@H]3CCCSC3)[nH]c2c1C ZINC000534642190 334305991 /nfs/dbraw/zinc/30/59/91/334305991.db2.gz UZHCVECMBKXEKK-CQSZACIVSA-N 2 2 303.475 3.598 50 0 DHAALP Cc1[nH]c(C[N@@H+]2CCC[C@H](CCc3ccc(F)c(F)c3)C2)c[nH+]1 ZINC000011664855 563358826 /nfs/dbraw/zinc/35/88/26/563358826.db2.gz XYDAALYRHDJYIK-OAHLLOKOSA-N 2 2 319.399 3.841 50 0 DHAALP Cc1[nH]c(C[N@H+]2CCC[C@H](CCc3ccc(F)c(F)c3)C2)c[nH+]1 ZINC000011664855 563358832 /nfs/dbraw/zinc/35/88/32/563358832.db2.gz XYDAALYRHDJYIK-OAHLLOKOSA-N 2 2 319.399 3.841 50 0 DHAALP FC(F)(F)CC[N@@H+]1CCc2[nH+]c[nH]c2[C@@H]1Cc1ccccc1 ZINC000067785093 563490441 /nfs/dbraw/zinc/49/04/41/563490441.db2.gz NETQSACHJVKCJB-AWEZNQCLSA-N 2 2 309.335 3.504 50 0 DHAALP FC(F)(F)CC[N@H+]1CCc2[nH+]c[nH]c2[C@@H]1Cc1ccccc1 ZINC000067785093 563490443 /nfs/dbraw/zinc/49/04/43/563490443.db2.gz NETQSACHJVKCJB-AWEZNQCLSA-N 2 2 309.335 3.504 50 0 DHAALP Cn1c(C[N@@H+]2CCCC[C@H]2CCn2cc[nH+]c2)cc2ccccc21 ZINC000077287421 563508299 /nfs/dbraw/zinc/50/82/99/563508299.db2.gz ROQJWZKNXGLUGI-SFHVURJKSA-N 2 2 322.456 3.820 50 0 DHAALP Cn1c(C[N@H+]2CCCC[C@H]2CCn2cc[nH+]c2)cc2ccccc21 ZINC000077287421 563508303 /nfs/dbraw/zinc/50/83/03/563508303.db2.gz ROQJWZKNXGLUGI-SFHVURJKSA-N 2 2 322.456 3.820 50 0 DHAALP CCc1ccc([C@@H](C)[NH2+]CC2=CSC3=[NH+]CCCN23)cc1 ZINC000101083840 563649874 /nfs/dbraw/zinc/64/98/74/563649874.db2.gz NVNKEWRFKHGBQM-CYBMUJFWSA-N 2 2 301.459 3.550 50 0 DHAALP Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000215642198 563706583 /nfs/dbraw/zinc/70/65/83/563706583.db2.gz FOFFKGVMEFANSA-LJQANCHMSA-N 2 2 322.412 3.896 50 0 DHAALP Cc1cc([C@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000215642198 563706585 /nfs/dbraw/zinc/70/65/85/563706585.db2.gz FOFFKGVMEFANSA-LJQANCHMSA-N 2 2 322.412 3.896 50 0 DHAALP Cc1ccc2c(c1)c1c(n2CCc2ccc(C)[nH+]c2)CC[N@@H+](C)C1 ZINC000008144259 563889537 /nfs/dbraw/zinc/88/95/37/563889537.db2.gz JNODQFNWMXFMEV-UHFFFAOYSA-N 2 2 319.452 3.884 50 0 investigational DHAALP Cc1ccc2c(c1)c1c(n2CCc2ccc(C)[nH+]c2)CC[N@H+](C)C1 ZINC000008144259 563889540 /nfs/dbraw/zinc/88/95/40/563889540.db2.gz JNODQFNWMXFMEV-UHFFFAOYSA-N 2 2 319.452 3.884 50 0 investigational DHAALP C[C@H]1CC[N@H+](CCSc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000089930000 563912335 /nfs/dbraw/zinc/91/23/35/563912335.db2.gz NRJWNEASDKXHSH-RDJZCZTQSA-N 2 2 301.459 3.558 50 0 DHAALP C[C@H]1CC[N@@H+](CCSc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000089930000 563912336 /nfs/dbraw/zinc/91/23/36/563912336.db2.gz NRJWNEASDKXHSH-RDJZCZTQSA-N 2 2 301.459 3.558 50 0 DHAALP CSCc1ccc(N2CCC([C@@H](C)[NH+]3CCCC3)CC2)[nH+]c1 ZINC000082098902 192355306 /nfs/dbraw/zinc/35/53/06/192355306.db2.gz PDUIGAOSZSKMSF-OAHLLOKOSA-N 2 2 319.518 3.645 50 0 DHAALP Cc1csc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000080338733 192150051 /nfs/dbraw/zinc/15/00/51/192150051.db2.gz YJRWCBAWJJASPI-NVXWUHKLSA-N 2 2 315.486 3.594 50 0 DHAALP Cc1csc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000080338733 192150053 /nfs/dbraw/zinc/15/00/53/192150053.db2.gz YJRWCBAWJJASPI-NVXWUHKLSA-N 2 2 315.486 3.594 50 0 DHAALP CCn1cc[nH+]c1[C@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000091906357 193125042 /nfs/dbraw/zinc/12/50/42/193125042.db2.gz XYTFXPOAEJDNEQ-LBPRGKRZSA-N 2 2 324.350 3.701 50 0 DHAALP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[NH+]1CCCCC1 ZINC000022455373 182322373 /nfs/dbraw/zinc/32/23/73/182322373.db2.gz IPVAQYBSKJLMME-AWEZNQCLSA-N 2 2 314.395 3.712 50 0 DHAALP CCC[NH+]1CCC([NH2+][C@H](c2ccncc2)c2ccccc2C)CC1 ZINC000065394145 184334738 /nfs/dbraw/zinc/33/47/38/184334738.db2.gz NFMCAEKBWHNJMU-OAQYLSRUSA-N 2 2 323.484 3.943 50 0 DHAALP c1cn(CC[C@H]2CCCC[N@@H+]2Cc2ccnc3ccccc23)c[nH+]1 ZINC000065451634 184346574 /nfs/dbraw/zinc/34/65/74/184346574.db2.gz OMVGAWSXNCTLTG-GOSISDBHSA-N 2 2 320.440 3.876 50 0 DHAALP c1cn(CC[C@H]2CCCC[N@H+]2Cc2ccnc3ccccc23)c[nH+]1 ZINC000065451634 184346576 /nfs/dbraw/zinc/34/65/76/184346576.db2.gz OMVGAWSXNCTLTG-GOSISDBHSA-N 2 2 320.440 3.876 50 0 DHAALP Fc1ccc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000000317009 563240846 /nfs/dbraw/zinc/24/08/46/563240846.db2.gz WUAMWPHLEZCWBI-UHFFFAOYSA-N 2 2 324.443 3.848 50 0 DHAALP Fc1ccc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000000317009 563240848 /nfs/dbraw/zinc/24/08/48/563240848.db2.gz WUAMWPHLEZCWBI-UHFFFAOYSA-N 2 2 324.443 3.848 50 0 DHAALP Cc1ccc(N2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)[nH+]c1 ZINC000095352441 563529142 /nfs/dbraw/zinc/52/91/42/563529142.db2.gz FMVGRUOMUJIFKU-QGZVFWFLSA-N 2 2 310.445 3.771 50 0 DHAALP Cc1cccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000177260744 563636676 /nfs/dbraw/zinc/63/66/76/563636676.db2.gz VPQCZXVACVJKDA-UHFFFAOYSA-N 2 2 323.484 3.529 50 0 DHAALP Cc1cccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000177260744 563636680 /nfs/dbraw/zinc/63/66/80/563636680.db2.gz VPQCZXVACVJKDA-UHFFFAOYSA-N 2 2 323.484 3.529 50 0 DHAALP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1F ZINC000121355764 563856033 /nfs/dbraw/zinc/85/60/33/563856033.db2.gz LTEQVLZRLQSGED-CYBMUJFWSA-N 2 2 317.383 3.679 50 0 DHAALP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1F ZINC000121355614 563856042 /nfs/dbraw/zinc/85/60/42/563856042.db2.gz LTEQVLZRLQSGED-ZDUSSCGKSA-N 2 2 317.383 3.679 50 0 DHAALP Cc1ccc(N2CCC[N@H+](CCCc3ccc(C)[nH+]c3)CC2)cc1 ZINC000170599999 563907388 /nfs/dbraw/zinc/90/73/88/563907388.db2.gz YJWHYBCIITVIIF-UHFFFAOYSA-N 2 2 323.484 3.843 50 0 DHAALP Cc1ccc(N2CCC[N@@H+](CCCc3ccc(C)[nH+]c3)CC2)cc1 ZINC000170599999 563907390 /nfs/dbraw/zinc/90/73/90/563907390.db2.gz YJWHYBCIITVIIF-UHFFFAOYSA-N 2 2 323.484 3.843 50 0 DHAALP Cc1[nH+]cn(C[C@@H](C)[NH2+][C@@H](c2ccccc2)c2ccccn2)c1C ZINC000095427062 563931530 /nfs/dbraw/zinc/93/15/30/563931530.db2.gz GMKJMPDXEJKZPA-QRWLVFNGSA-N 2 2 320.440 3.663 50 0 DHAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000952976807 1032680164 /nfs/dbraw/zinc/68/01/64/1032680164.db2.gz IERSHQLVJOBFED-MRXNPFEDSA-N 2 2 309.413 3.613 50 0 DHAALP Cc1cc(C[N@@H+](C)Cc2cc(C[NH+]3CCCCC3)cs2)on1 ZINC000215961166 1024527621 /nfs/dbraw/zinc/52/76/21/1024527621.db2.gz FGUXCZJJIIMMJR-UHFFFAOYSA-N 2 2 319.474 3.662 50 0 DHAALP Cc1cc(C[N@H+](C)Cc2cc(C[NH+]3CCCCC3)cs2)on1 ZINC000215961166 1024527629 /nfs/dbraw/zinc/52/76/29/1024527629.db2.gz FGUXCZJJIIMMJR-UHFFFAOYSA-N 2 2 319.474 3.662 50 0 DHAALP COC(C)(C)Cn1cc[nH+]c1-c1cccc([C@H](C)[NH+](C)C)c1 ZINC000071746749 191019054 /nfs/dbraw/zinc/01/90/54/191019054.db2.gz PXZNOMIOLHAABJ-AWEZNQCLSA-N 2 2 301.434 3.598 50 0 DHAALP Cc1cccc2[nH+]c(C3CC[NH+](Cc4cccnc4)CC3)[nH]c21 ZINC000072165955 191065173 /nfs/dbraw/zinc/06/51/73/191065173.db2.gz VOXFMQLHDYEELK-UHFFFAOYSA-N 2 2 306.413 3.646 50 0 DHAALP Cc1cccc2[nH]c(C3CC[NH+](Cc4cccnc4)CC3)[nH+]c21 ZINC000072165955 191065175 /nfs/dbraw/zinc/06/51/75/191065175.db2.gz VOXFMQLHDYEELK-UHFFFAOYSA-N 2 2 306.413 3.646 50 0 DHAALP COc1cc[nH+]c(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)c1 ZINC000072174002 191069938 /nfs/dbraw/zinc/06/99/38/191069938.db2.gz VLEZOHVAXIAMJM-MRXNPFEDSA-N 2 2 312.413 3.538 50 0 DHAALP CCc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000001165967 563278455 /nfs/dbraw/zinc/27/84/55/563278455.db2.gz MPYLBXSXBZIWMR-QGZVFWFLSA-N 2 2 300.490 3.945 50 0 DHAALP CCc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000001165967 563278459 /nfs/dbraw/zinc/27/84/59/563278459.db2.gz MPYLBXSXBZIWMR-QGZVFWFLSA-N 2 2 300.490 3.945 50 0 DHAALP COc1cccc(CC[C@@H]2CCC[N@H+](Cc3c[nH+]c(C)[nH]3)C2)c1 ZINC000055054568 563471184 /nfs/dbraw/zinc/47/11/84/563471184.db2.gz BPBUTLFAKZAVMF-KRWDZBQOSA-N 2 2 313.445 3.572 50 0 DHAALP COc1cccc(CC[C@@H]2CCC[N@@H+](Cc3c[nH+]c(C)[nH]3)C2)c1 ZINC000055054568 563471185 /nfs/dbraw/zinc/47/11/85/563471185.db2.gz BPBUTLFAKZAVMF-KRWDZBQOSA-N 2 2 313.445 3.572 50 0 DHAALP Cc1[nH]c(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3F)C2)c[nH+]1 ZINC000055109197 563471957 /nfs/dbraw/zinc/47/19/57/563471957.db2.gz CVWDHFNUGNRUIF-CQSZACIVSA-N 2 2 319.399 3.841 50 0 DHAALP Cc1[nH]c(C[N@H+]2CCC[C@H](CCc3ccc(F)cc3F)C2)c[nH+]1 ZINC000055109197 563471958 /nfs/dbraw/zinc/47/19/58/563471958.db2.gz CVWDHFNUGNRUIF-CQSZACIVSA-N 2 2 319.399 3.841 50 0 DHAALP Cc1cc(N2CCC[C@@H](Cn3cc[nH+]c3)C2)c2ccccc2[nH+]1 ZINC000077378297 563509441 /nfs/dbraw/zinc/50/94/41/563509441.db2.gz KZXUUKOYNGVJSF-INIZCTEOSA-N 2 2 306.413 3.656 50 0 DHAALP Cc1cc([C@@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000215642145 563706082 /nfs/dbraw/zinc/70/60/82/563706082.db2.gz FOFFKGVMEFANSA-IBGZPJMESA-N 2 2 322.412 3.896 50 0 DHAALP Cc1cc([C@@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000215642145 563706085 /nfs/dbraw/zinc/70/60/85/563706085.db2.gz FOFFKGVMEFANSA-IBGZPJMESA-N 2 2 322.412 3.896 50 0 DHAALP C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000083473202 563811344 /nfs/dbraw/zinc/81/13/44/563811344.db2.gz GFHAKBYEDWSNAN-CYBMUJFWSA-N 2 2 312.804 3.772 50 0 DHAALP Cc1cccc(C2CC([NH2+]Cc3cccnc3-n3cc[nH+]c3)C2)c1 ZINC000154104970 563924874 /nfs/dbraw/zinc/92/48/74/563924874.db2.gz RAEPJFCGHNUPCP-UHFFFAOYSA-N 2 2 318.424 3.612 50 0 DHAALP C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000095420145 563931317 /nfs/dbraw/zinc/93/13/17/563931317.db2.gz DZMVJUKUSZYZFK-HNNXBMFYSA-N 2 2 311.454 3.714 50 0 DHAALP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000095420171 563931424 /nfs/dbraw/zinc/93/14/24/563931424.db2.gz BSVBVUXPNQJGPU-OAHLLOKOSA-N 2 2 309.413 3.938 50 0 DHAALP CC[C@H]1C=CC[N@@H+]1Cc1cccc(OCCCn2cc[nH+]c2)c1 ZINC000952962560 1032671364 /nfs/dbraw/zinc/67/13/64/1032671364.db2.gz GFTPNIXEIYDFSZ-SFHVURJKSA-N 2 2 311.429 3.503 50 0 DHAALP CC[C@H]1C=CC[N@H+]1Cc1cccc(OCCCn2cc[nH+]c2)c1 ZINC000952962560 1032671366 /nfs/dbraw/zinc/67/13/66/1032671366.db2.gz GFTPNIXEIYDFSZ-SFHVURJKSA-N 2 2 311.429 3.503 50 0 DHAALP Cc1[nH+]ccn1CC[C@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000821758584 1020273743 /nfs/dbraw/zinc/27/37/43/1020273743.db2.gz LOELPUIUBNCTGR-AWEZNQCLSA-N 2 2 308.429 3.510 50 0 DHAALP Cc1[nH+]ccn1CC[C@H](C)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000821758584 1020273748 /nfs/dbraw/zinc/27/37/48/1020273748.db2.gz LOELPUIUBNCTGR-AWEZNQCLSA-N 2 2 308.429 3.510 50 0 DHAALP Cc1c[nH+]c(-c2ccncc2)n1C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000575547461 1029856567 /nfs/dbraw/zinc/85/65/67/1029856567.db2.gz CVMPIWUXRXDXME-KRWDZBQOSA-N 2 2 324.472 3.908 50 0 DHAALP Cc1c[nH+]c(-c2ccncc2)n1C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000575547461 1029856570 /nfs/dbraw/zinc/85/65/70/1029856570.db2.gz CVMPIWUXRXDXME-KRWDZBQOSA-N 2 2 324.472 3.908 50 0 DHAALP Cc1csc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000080338737 192150863 /nfs/dbraw/zinc/15/08/63/192150863.db2.gz YJRWCBAWJJASPI-WBVHZDCISA-N 2 2 315.486 3.594 50 0 DHAALP Cc1csc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000080338737 192150865 /nfs/dbraw/zinc/15/08/65/192150865.db2.gz YJRWCBAWJJASPI-WBVHZDCISA-N 2 2 315.486 3.594 50 0 DHAALP CCCCn1cc[nH+]c1C1CC[NH+](Cc2cc(CC)no2)CC1 ZINC000091518569 193068250 /nfs/dbraw/zinc/06/82/50/193068250.db2.gz OZWURGUAEVQYCA-UHFFFAOYSA-N 2 2 316.449 3.613 50 0 DHAALP CCn1cc[nH+]c1C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000091951396 193130625 /nfs/dbraw/zinc/13/06/25/193130625.db2.gz YRVXUOZWFDHQJI-UHFFFAOYSA-N 2 2 305.372 3.561 50 0 DHAALP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000289375993 131379793 /nfs/dbraw/zinc/37/97/93/131379793.db2.gz BVASVBSMYSHBPN-GOSISDBHSA-N 2 2 313.445 3.652 50 0 DHAALP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000289375993 131379794 /nfs/dbraw/zinc/37/97/94/131379794.db2.gz BVASVBSMYSHBPN-GOSISDBHSA-N 2 2 313.445 3.652 50 0 DHAALP CSC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000067847724 563492448 /nfs/dbraw/zinc/49/24/48/563492448.db2.gz ZFGFDMNMPCCKSD-OAHLLOKOSA-N 2 2 321.534 3.556 50 0 DHAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nc2cc(C(C)(C)C)ccc2o1 ZINC000067770158 563490576 /nfs/dbraw/zinc/49/05/76/563490576.db2.gz QKLHGNATLARTMO-CYBMUJFWSA-N 2 2 312.417 3.500 50 0 DHAALP CSc1ccc(-c2[nH+]ccn2CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000067842323 563492464 /nfs/dbraw/zinc/49/24/64/563492464.db2.gz BFLSXWIEMOYLTB-HNNXBMFYSA-N 2 2 301.459 3.756 50 0 DHAALP CSc1ccc(-c2[nH+]ccn2CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000067842323 563492467 /nfs/dbraw/zinc/49/24/67/563492467.db2.gz BFLSXWIEMOYLTB-HNNXBMFYSA-N 2 2 301.459 3.756 50 0 DHAALP c1ccc2c(c1)[nH]c1c2CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000067909995 563493533 /nfs/dbraw/zinc/49/35/33/563493533.db2.gz XWGJOMIDPBQEMP-HRAATJIYSA-N 2 2 323.484 3.791 50 0 DHAALP c1ccc2c(c1)[nH]c1c2CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000067909995 563493534 /nfs/dbraw/zinc/49/35/34/563493534.db2.gz XWGJOMIDPBQEMP-HRAATJIYSA-N 2 2 323.484 3.791 50 0 DHAALP c1ccc2c(c1)[nH]c1c2CC[N@@H+](C[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000067909995 563493535 /nfs/dbraw/zinc/49/35/35/563493535.db2.gz XWGJOMIDPBQEMP-HRAATJIYSA-N 2 2 323.484 3.791 50 0 DHAALP c1ccc2c(c1)[nH]c1c2CC[N@H+](C[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000067909995 563493537 /nfs/dbraw/zinc/49/35/37/563493537.db2.gz XWGJOMIDPBQEMP-HRAATJIYSA-N 2 2 323.484 3.791 50 0 DHAALP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccsc1 ZINC000178404112 563526311 /nfs/dbraw/zinc/52/63/11/563526311.db2.gz CSCSLHMXLNLJSP-VKJFTORMSA-N 2 2 315.486 3.704 50 0 DHAALP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccsc1 ZINC000178404112 563526313 /nfs/dbraw/zinc/52/63/13/563526313.db2.gz CSCSLHMXLNLJSP-VKJFTORMSA-N 2 2 315.486 3.704 50 0 DHAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccccc2Cl)cn1 ZINC000048782241 563699887 /nfs/dbraw/zinc/69/98/87/563699887.db2.gz XBWBAKOMFZVRBD-UHFFFAOYSA-N 2 2 312.804 3.519 50 0 DHAALP Cc1c2ccccc2oc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000215585531 563706189 /nfs/dbraw/zinc/70/61/89/563706189.db2.gz CDJHLZGUQUMXRH-OAHLLOKOSA-N 2 2 309.413 3.854 50 0 DHAALP Cc1c2ccccc2oc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000215585531 563706191 /nfs/dbraw/zinc/70/61/91/563706191.db2.gz CDJHLZGUQUMXRH-OAHLLOKOSA-N 2 2 309.413 3.854 50 0 DHAALP CCc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000252483989 563783902 /nfs/dbraw/zinc/78/39/02/563783902.db2.gz FLRWLQLIWGVQEY-KRWDZBQOSA-N 2 2 323.444 3.549 50 0 DHAALP CCc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000252483989 563783907 /nfs/dbraw/zinc/78/39/07/563783907.db2.gz FLRWLQLIWGVQEY-KRWDZBQOSA-N 2 2 323.444 3.549 50 0 DHAALP c1ccc(CC[N@@H+]2CC[C@H]([NH2+]CC3(c4ccccc4)CC3)C2)cc1 ZINC000078998903 563930038 /nfs/dbraw/zinc/93/00/38/563930038.db2.gz BQLJQGFSQWFRLY-NRFANRHFSA-N 2 2 320.480 3.625 50 0 DHAALP c1ccc(CC[N@H+]2CC[C@H]([NH2+]CC3(c4ccccc4)CC3)C2)cc1 ZINC000078998903 563930039 /nfs/dbraw/zinc/93/00/39/563930039.db2.gz BQLJQGFSQWFRLY-NRFANRHFSA-N 2 2 320.480 3.625 50 0 DHAALP CC[C@H]([NH2+]C1CC[NH+](Cc2ccco2)CC1)c1cccc(C)n1 ZINC000670434633 563943332 /nfs/dbraw/zinc/94/33/32/563943332.db2.gz BCICNQWGVJVRLI-SFHVURJKSA-N 2 2 313.445 3.688 50 0 DHAALP COc1cccc(C[NH+]2CCC([NH+]3CCCCCC3)CC2)c1 ZINC000000207647 331460265 /nfs/dbraw/zinc/46/02/65/331460265.db2.gz BJYPEFIGQLAQDL-UHFFFAOYSA-N 2 2 302.462 3.536 50 0 DHAALP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375270728 337006963 /nfs/dbraw/zinc/00/69/63/337006963.db2.gz WTRGNMQPPAGTMV-QGZVFWFLSA-N 2 2 311.429 3.531 50 0 DHAALP CCc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000001165969 563278581 /nfs/dbraw/zinc/27/85/81/563278581.db2.gz MPYLBXSXBZIWMR-KRWDZBQOSA-N 2 2 300.490 3.945 50 0 DHAALP CCc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000001165969 563278582 /nfs/dbraw/zinc/27/85/82/563278582.db2.gz MPYLBXSXBZIWMR-KRWDZBQOSA-N 2 2 300.490 3.945 50 0 DHAALP CC(C)(C)c1cn2c([nH+]1)[C@H](C[NH2+]C1CCSCC1)CCC2 ZINC000095402079 563466579 /nfs/dbraw/zinc/46/65/79/563466579.db2.gz MFDLTWPUWFQTQF-ZDUSSCGKSA-N 2 2 307.507 3.543 50 0 DHAALP FC(F)(F)CC[N@@H+]1CCc2[nH+]c[nH]c2[C@H]1Cc1ccccc1 ZINC000067785091 563490457 /nfs/dbraw/zinc/49/04/57/563490457.db2.gz NETQSACHJVKCJB-CQSZACIVSA-N 2 2 309.335 3.504 50 0 DHAALP FC(F)(F)CC[N@H+]1CCc2[nH+]c[nH]c2[C@H]1Cc1ccccc1 ZINC000067785091 563490459 /nfs/dbraw/zinc/49/04/59/563490459.db2.gz NETQSACHJVKCJB-CQSZACIVSA-N 2 2 309.335 3.504 50 0 DHAALP Cc1ccc(Cn2cc(C[NH2+]CC[NH+](C)C)c3ccccc32)cc1 ZINC000248050045 563782834 /nfs/dbraw/zinc/78/28/34/563782834.db2.gz XIEBYFIQLNPINQ-UHFFFAOYSA-N 2 2 321.468 3.649 50 0 DHAALP Cc1nc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cs1 ZINC000084290996 563825735 /nfs/dbraw/zinc/82/57/35/563825735.db2.gz NARBDNNZSXHPIJ-GFCCVEGCSA-N 2 2 312.442 3.796 50 0 DHAALP CC[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccc(F)cc1F ZINC000084734132 563830874 /nfs/dbraw/zinc/83/08/74/563830874.db2.gz BJIIIOCIGYJTQY-LRDDRELGSA-N 2 2 305.372 3.780 50 0 DHAALP Cc1ccc(CCC[N@@H+]2CCO[C@H](CCc3ccccc3)C2)c[nH+]1 ZINC000170616091 563908393 /nfs/dbraw/zinc/90/83/93/563908393.db2.gz ODJXLIZSHRGBTI-OAQYLSRUSA-N 2 2 324.468 3.656 50 0 DHAALP Cc1ccc(CCC[N@H+]2CCO[C@H](CCc3ccccc3)C2)c[nH+]1 ZINC000170616091 563908394 /nfs/dbraw/zinc/90/83/94/563908394.db2.gz ODJXLIZSHRGBTI-OAQYLSRUSA-N 2 2 324.468 3.656 50 0 DHAALP CCn1cc[nH+]c1[C@H]1CCCN(c2ccc3c([nH+]2)CCCC3)C1 ZINC000095512320 185376565 /nfs/dbraw/zinc/37/65/65/185376565.db2.gz GXYXLAHPAMZIKG-INIZCTEOSA-N 2 2 310.445 3.561 50 0 DHAALP C[C@H](CCc1ccccc1)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000095450143 185368665 /nfs/dbraw/zinc/36/86/65/185368665.db2.gz KJZIMJMJBNSVKW-GOSISDBHSA-N 2 2 323.484 3.909 50 0 DHAALP c1ccc2ncc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc2c1 ZINC000225533191 201725859 /nfs/dbraw/zinc/72/58/59/201725859.db2.gz WGJREUPCZJOFKU-UHFFFAOYSA-N 2 2 309.457 3.685 50 0 DHAALP COC(C)(C)Cn1cc[nH+]c1-c1cccc([C@@H](C)[NH+](C)C)c1 ZINC000071746750 191018846 /nfs/dbraw/zinc/01/88/46/191018846.db2.gz PXZNOMIOLHAABJ-CQSZACIVSA-N 2 2 301.434 3.598 50 0 DHAALP COc1ccc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000000316339 563240429 /nfs/dbraw/zinc/24/04/29/563240429.db2.gz XJXSTGUGODMAQP-UHFFFAOYSA-N 2 2 324.468 3.792 50 0 DHAALP COc1ccc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000000316339 563240432 /nfs/dbraw/zinc/24/04/32/563240432.db2.gz XJXSTGUGODMAQP-UHFFFAOYSA-N 2 2 324.468 3.792 50 0 DHAALP Cc1[nH]c(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)c[nH+]1 ZINC000011817074 563359984 /nfs/dbraw/zinc/35/99/84/563359984.db2.gz AWVGPOKARKRIDF-CQSZACIVSA-N 2 2 319.399 3.841 50 0 DHAALP Cc1[nH]c(C[N@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)c[nH+]1 ZINC000011817074 563359986 /nfs/dbraw/zinc/35/99/86/563359986.db2.gz AWVGPOKARKRIDF-CQSZACIVSA-N 2 2 319.399 3.841 50 0 DHAALP Cc1c[nH+]ccc1N1CCCN(c2[nH+]ccc3ccccc32)CC1 ZINC000096180272 563535283 /nfs/dbraw/zinc/53/52/83/563535283.db2.gz HZLSMZXSQJSPPG-UHFFFAOYSA-N 2 2 318.424 3.655 50 0 DHAALP Cc1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)o2)cc1Cl ZINC000097217596 563538461 /nfs/dbraw/zinc/53/84/61/563538461.db2.gz MZECGJBKWKZLOB-UHFFFAOYSA-N 2 2 304.821 3.704 50 0 DHAALP Cc1ccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)o2)cc1Cl ZINC000097217596 563538463 /nfs/dbraw/zinc/53/84/63/563538463.db2.gz MZECGJBKWKZLOB-UHFFFAOYSA-N 2 2 304.821 3.704 50 0 DHAALP COc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000025356244 563726400 /nfs/dbraw/zinc/72/64/00/563726400.db2.gz DWVQHVLTVGYLAX-HNNXBMFYSA-N 2 2 307.397 3.732 50 0 DHAALP CC[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccc(F)cc1F ZINC000084734140 563830451 /nfs/dbraw/zinc/83/04/51/563830451.db2.gz BJIIIOCIGYJTQY-MLGOLLRUSA-N 2 2 305.372 3.780 50 0 DHAALP CC(C)[C@@H](c1ccccc1)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000242324328 563881007 /nfs/dbraw/zinc/88/10/07/563881007.db2.gz ZADZANFZYYXYBD-XLIONFOSSA-N 2 2 316.489 3.569 50 0 DHAALP CC(C)[C@@H](c1ccccc1)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000242324328 563881011 /nfs/dbraw/zinc/88/10/11/563881011.db2.gz ZADZANFZYYXYBD-XLIONFOSSA-N 2 2 316.489 3.569 50 0 DHAALP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000089905221 563912117 /nfs/dbraw/zinc/91/21/17/563912117.db2.gz VTWCBUDAHVXBSS-HNNXBMFYSA-N 2 2 309.388 3.921 50 0 DHAALP CCc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000195539747 563919587 /nfs/dbraw/zinc/91/95/87/563919587.db2.gz KJGQXTDEMBWLEA-GOSISDBHSA-N 2 2 309.413 3.649 50 0 DHAALP CCc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000195539746 563919608 /nfs/dbraw/zinc/91/96/08/563919608.db2.gz KJGQXTDEMBWLEA-SFHVURJKSA-N 2 2 309.413 3.649 50 0 DHAALP C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000225547901 563938053 /nfs/dbraw/zinc/93/80/53/563938053.db2.gz DOTAZFWKZWLLEV-CYBMUJFWSA-N 2 2 312.804 3.772 50 0 DHAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000952976802 1032678635 /nfs/dbraw/zinc/67/86/35/1032678635.db2.gz IERSHQLVJOBFED-INIZCTEOSA-N 2 2 309.413 3.613 50 0 DHAALP COc1ccc2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)ccc2c1 ZINC000092648428 185331429 /nfs/dbraw/zinc/33/14/29/185331429.db2.gz MDPMWBOJHKWXFE-UHFFFAOYSA-N 2 2 321.424 3.882 50 0 DHAALP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2F)C[N@@H+]1Cc1ccccc1 ZINC000095419366 185359693 /nfs/dbraw/zinc/35/96/93/185359693.db2.gz JAPHTMCASRQQGO-QFBILLFUSA-N 2 2 312.432 3.621 50 0 DHAALP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2F)C[N@H+]1Cc1ccccc1 ZINC000095419366 185359694 /nfs/dbraw/zinc/35/96/94/185359694.db2.gz JAPHTMCASRQQGO-QFBILLFUSA-N 2 2 312.432 3.621 50 0 DHAALP COc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+](C)C)cc1Cl ZINC000072463494 191173997 /nfs/dbraw/zinc/17/39/97/191173997.db2.gz HKTCCWBKVGKKEO-HNNXBMFYSA-N 2 2 310.869 3.655 50 0 DHAALP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+](C)C)cc1Cl ZINC000072463494 191173999 /nfs/dbraw/zinc/17/39/99/191173999.db2.gz HKTCCWBKVGKKEO-HNNXBMFYSA-N 2 2 310.869 3.655 50 0 DHAALP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccs1 ZINC000089910205 192904347 /nfs/dbraw/zinc/90/43/47/192904347.db2.gz LWMPEVUMCXGNIA-OAHLLOKOSA-N 2 2 311.454 3.886 50 0 DHAALP Cc1nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000110669340 194348168 /nfs/dbraw/zinc/34/81/68/194348168.db2.gz PMLMDPDPFAPKBN-WMLDXEAASA-N 2 2 315.486 3.594 50 0 DHAALP Cc1nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000110669340 194348171 /nfs/dbraw/zinc/34/81/71/194348171.db2.gz PMLMDPDPFAPKBN-WMLDXEAASA-N 2 2 315.486 3.594 50 0 DHAALP Cc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)o1 ZINC000095420013 332169995 /nfs/dbraw/zinc/16/99/95/332169995.db2.gz WWJRVQASSAKUIC-INIZCTEOSA-N 2 2 309.413 3.726 50 0 DHAALP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccsc1 ZINC000095420009 332170149 /nfs/dbraw/zinc/17/01/49/332170149.db2.gz KFHKSIOKKIIYEL-OAHLLOKOSA-N 2 2 311.454 3.886 50 0 DHAALP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000000207786 563230500 /nfs/dbraw/zinc/23/05/00/563230500.db2.gz INFVHZQTTPPRFA-UHFFFAOYSA-N 2 2 312.432 3.922 50 0 DHAALP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000000207786 563230502 /nfs/dbraw/zinc/23/05/02/563230502.db2.gz INFVHZQTTPPRFA-UHFFFAOYSA-N 2 2 312.432 3.922 50 0 DHAALP CSc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000000214810 563231003 /nfs/dbraw/zinc/23/10/03/563231003.db2.gz SOKGLRMXBPSWDE-UHFFFAOYSA-N 2 2 304.503 3.859 50 0 DHAALP CCCCc1[nH]c(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c[nH+]1 ZINC000072435822 563503350 /nfs/dbraw/zinc/50/33/50/563503350.db2.gz HJWFSOGZSDZKLG-CQSZACIVSA-N 2 2 301.409 3.881 50 0 DHAALP CSCc1ccc(N(C)C[C@@H]2CCC[N@@H+](C(C)C)C2)[nH+]c1 ZINC000077427247 563510316 /nfs/dbraw/zinc/51/03/16/563510316.db2.gz ATGFWNLBMWHSPQ-INIZCTEOSA-N 2 2 307.507 3.501 50 0 DHAALP CSCc1ccc(N(C)C[C@@H]2CCC[N@H+](C(C)C)C2)[nH+]c1 ZINC000077427247 563510319 /nfs/dbraw/zinc/51/03/19/563510319.db2.gz ATGFWNLBMWHSPQ-INIZCTEOSA-N 2 2 307.507 3.501 50 0 DHAALP Cc1ncsc1C[NH2+]C[C@H]1CCCn2cc(C(C)(C)C)[nH+]c21 ZINC000084066526 563821143 /nfs/dbraw/zinc/82/11/43/563821143.db2.gz LBQUWODDPPEOQB-CYBMUJFWSA-N 2 2 318.490 3.613 50 0 DHAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(C(C)(C)C)s1)CCC2 ZINC000084257829 563825695 /nfs/dbraw/zinc/82/56/95/563825695.db2.gz OZANBDTVRIXGDZ-CYBMUJFWSA-N 2 2 318.490 3.613 50 0 DHAALP Clc1ccc(C[NH2+]CCCCn2cc[nH+]c2)c2ncccc12 ZINC000089807725 563911417 /nfs/dbraw/zinc/91/14/17/563911417.db2.gz VXYFJVFSJAIYNA-UHFFFAOYSA-N 2 2 314.820 3.655 50 0 DHAALP Cc1ncsc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079044970 185148892 /nfs/dbraw/zinc/14/88/92/185148892.db2.gz RLDBTHYNMMIFNI-PBHICJAKSA-N 2 2 315.486 3.594 50 0 DHAALP Cc1ncsc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079044970 185148893 /nfs/dbraw/zinc/14/88/93/185148893.db2.gz RLDBTHYNMMIFNI-PBHICJAKSA-N 2 2 315.486 3.594 50 0 DHAALP Cc1cccc(C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000072143583 191049491 /nfs/dbraw/zinc/04/94/91/191049491.db2.gz SJKIUHQHURWTDB-INIZCTEOSA-N 2 2 320.440 3.721 50 0 DHAALP Cc1cccc(C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000072143583 191049493 /nfs/dbraw/zinc/04/94/93/191049493.db2.gz SJKIUHQHURWTDB-INIZCTEOSA-N 2 2 320.440 3.721 50 0 DHAALP Cc1cc(-c2cc(NCC[NH+](C)C)nc3[nH]ccc32)[nH+]c(C)c1C ZINC000072166434 191065790 /nfs/dbraw/zinc/06/57/90/191065790.db2.gz BRYBBJKVWCHNJK-UHFFFAOYSA-N 2 2 323.444 3.524 50 0 DHAALP Cc1ccc(-c2ccc(C[NH2+]CCC[NH+](C)C)o2)cc1Cl ZINC000004999759 181187933 /nfs/dbraw/zinc/18/79/33/181187933.db2.gz JYFIWYYATNVJLN-UHFFFAOYSA-N 2 2 306.837 3.950 50 0 DHAALP COc1ccccc1/C=C/C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000023279901 182355518 /nfs/dbraw/zinc/35/55/18/182355518.db2.gz PDOBUQPUAOCQIM-VQHVLOKHSA-N 2 2 314.473 3.659 50 0 DHAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nc2cc(C(C)(C)C)ccc2o1 ZINC000067770156 563490692 /nfs/dbraw/zinc/49/06/92/563490692.db2.gz QKLHGNATLARTMO-ZDUSSCGKSA-N 2 2 312.417 3.500 50 0 DHAALP CSCc1ccc(N(C)C[C@H]2CCC[N@@H+](C(C)C)C2)[nH+]c1 ZINC000077427244 563510275 /nfs/dbraw/zinc/51/02/75/563510275.db2.gz ATGFWNLBMWHSPQ-MRXNPFEDSA-N 2 2 307.507 3.501 50 0 DHAALP CSCc1ccc(N(C)C[C@H]2CCC[N@H+](C(C)C)C2)[nH+]c1 ZINC000077427244 563510276 /nfs/dbraw/zinc/51/02/76/563510276.db2.gz ATGFWNLBMWHSPQ-MRXNPFEDSA-N 2 2 307.507 3.501 50 0 DHAALP Cc1csc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000107359449 563683736 /nfs/dbraw/zinc/68/37/36/563683736.db2.gz YJRWCBAWJJASPI-RDJZCZTQSA-N 2 2 315.486 3.594 50 0 DHAALP Cc1csc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000107359449 563683739 /nfs/dbraw/zinc/68/37/39/563683739.db2.gz YJRWCBAWJJASPI-RDJZCZTQSA-N 2 2 315.486 3.594 50 0 DHAALP c1cn(-c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)cc2)c[nH+]1 ZINC000012540294 563799512 /nfs/dbraw/zinc/79/95/12/563799512.db2.gz QPYCRFYXOIHNLB-UHFFFAOYSA-N 2 2 316.408 3.686 50 0 DHAALP C[C@@H]([NH2+]C[C@@H]1CCCn2cc(C(C)(C)C)[nH+]c21)c1ccncc1 ZINC000095402213 563931458 /nfs/dbraw/zinc/93/14/58/563931458.db2.gz WZIQWIQQMPDDON-ZBFHGGJFSA-N 2 2 312.461 3.804 50 0 DHAALP Cc1c(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)[nH]c2ccccc12 ZINC000952963646 1032671429 /nfs/dbraw/zinc/67/14/29/1032671429.db2.gz LGHPHKBNNMDDJF-GOSISDBHSA-N 2 2 310.445 3.877 50 0 DHAALP Cc1[nH+]ccn1CC[C@@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000821758589 1020273553 /nfs/dbraw/zinc/27/35/53/1020273553.db2.gz LOELPUIUBNCTGR-CQSZACIVSA-N 2 2 308.429 3.510 50 0 DHAALP Cc1[nH+]ccn1CC[C@@H](C)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000821758589 1020273560 /nfs/dbraw/zinc/27/35/60/1020273560.db2.gz LOELPUIUBNCTGR-CQSZACIVSA-N 2 2 308.429 3.510 50 0 DHAALP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccco2)CC1)c1ncccc1C ZINC000534670120 334320050 /nfs/dbraw/zinc/32/00/50/334320050.db2.gz LINDCRAPRZJWQS-GOSISDBHSA-N 2 2 313.445 3.688 50 0 DHAALP Cc1[nH+]ccn1CC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000097307096 563538735 /nfs/dbraw/zinc/53/87/35/563538735.db2.gz JRQMJRCYWKWUAI-UHFFFAOYSA-N 2 2 321.827 3.896 50 0 DHAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000192135490 563885534 /nfs/dbraw/zinc/88/55/34/563885534.db2.gz DVGRNXNBNLRHNZ-MRXNPFEDSA-N 2 2 306.413 3.769 50 0 DHAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](C)c1ccccn1 ZINC000192135490 563885537 /nfs/dbraw/zinc/88/55/37/563885537.db2.gz DVGRNXNBNLRHNZ-MRXNPFEDSA-N 2 2 306.413 3.769 50 0 DHAALP Cc1ccc(N2CCC([N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)CC2)cc1 ZINC000670454632 563944831 /nfs/dbraw/zinc/94/48/31/563944831.db2.gz OCYYEOPNMQSOJC-KRWDZBQOSA-N 2 2 324.472 3.567 50 0 DHAALP Cc1ccc(N2CCC([N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)CC2)cc1 ZINC000670454632 563944832 /nfs/dbraw/zinc/94/48/32/563944832.db2.gz OCYYEOPNMQSOJC-KRWDZBQOSA-N 2 2 324.472 3.567 50 0 DHAALP C[C@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1cccc(O)c1 ZINC000253433487 1020378220 /nfs/dbraw/zinc/37/82/20/1020378220.db2.gz XOFYQZRSPTUNOH-AWEZNQCLSA-N 2 2 316.470 3.769 50 0 DHAALP C[N@H+](Cc1ccoc1)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000823719816 1020444002 /nfs/dbraw/zinc/44/40/02/1020444002.db2.gz IISKQCLXWBNABW-UHFFFAOYSA-N 2 2 304.459 3.959 50 0 DHAALP Cc1c[nH+]c(C2C[NH+](C3CCCCCC3)C2)n1Cc1cccnc1 ZINC000575553738 1020977239 /nfs/dbraw/zinc/97/72/39/1020977239.db2.gz GOFQBNVKAOZBPA-UHFFFAOYSA-N 2 2 324.472 3.757 50 0 DHAALP CC(C)[N@@H+]1CCC[C@H](C[NH+](C)Cc2ccc(O)cc2Cl)C1 ZINC000072168364 191066145 /nfs/dbraw/zinc/06/61/45/191066145.db2.gz SPVSMMAJDOUOCA-CQSZACIVSA-N 2 2 310.869 3.598 50 0 DHAALP CC(C)[N@H+]1CCC[C@H](C[NH+](C)Cc2ccc(O)cc2Cl)C1 ZINC000072168364 191066147 /nfs/dbraw/zinc/06/61/47/191066147.db2.gz SPVSMMAJDOUOCA-CQSZACIVSA-N 2 2 310.869 3.598 50 0 DHAALP CC(C)[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(O)cc2Cl)C1 ZINC000072168365 191067179 /nfs/dbraw/zinc/06/71/79/191067179.db2.gz SPVSMMAJDOUOCA-AWEZNQCLSA-N 2 2 310.869 3.598 50 0 DHAALP CC(C)[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(O)cc2Cl)C1 ZINC000072168365 191067181 /nfs/dbraw/zinc/06/71/81/191067181.db2.gz SPVSMMAJDOUOCA-AWEZNQCLSA-N 2 2 310.869 3.598 50 0 DHAALP Cc1ccc2[nH]c(CCCn3cc[nH+]c3[C@H]3CCOC3)[nH+]c2c1C ZINC000077518215 191731076 /nfs/dbraw/zinc/73/10/76/191731076.db2.gz XIGHQRICRIYJPW-HNNXBMFYSA-N 2 2 324.428 3.513 50 0 DHAALP Cc1ccc2[nH+]c(CCCn3cc[nH+]c3[C@H]3CCOC3)[nH]c2c1C ZINC000077518215 191731078 /nfs/dbraw/zinc/73/10/78/191731078.db2.gz XIGHQRICRIYJPW-HNNXBMFYSA-N 2 2 324.428 3.513 50 0 DHAALP CC(C)=CC[NH+]1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000091585895 193075743 /nfs/dbraw/zinc/07/57/43/193075743.db2.gz QTWYYOLWKKKJRP-UHFFFAOYSA-N 2 2 316.474 3.534 50 0 DHAALP Clc1ccc(C[NH2+]CC[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000019370426 182119726 /nfs/dbraw/zinc/11/97/26/182119726.db2.gz CYMQHJTXFPRIMG-UHFFFAOYSA-N 2 2 309.240 3.873 50 0 DHAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)cn1 ZINC000058245504 184094466 /nfs/dbraw/zinc/09/44/66/184094466.db2.gz INVMOEPXSAXJCH-CXAGYDPISA-N 2 2 322.412 3.582 50 0 DHAALP CCOc1ccc2ccccc2c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000067500808 184470348 /nfs/dbraw/zinc/47/03/48/184470348.db2.gz AJDANUZZLQXYLE-MRXNPFEDSA-N 2 2 323.440 3.861 50 0 DHAALP CC(C)[NH2+]CCn1c(-c2ccccc2)cn2c3ccccc3[nH+]c21 ZINC000005034037 563450765 /nfs/dbraw/zinc/45/07/65/563450765.db2.gz NLPCWROWSUZGBY-UHFFFAOYSA-N 2 2 318.424 3.954 50 0 DHAALP C/C(=C\c1ccccc1)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000071924544 563470362 /nfs/dbraw/zinc/47/03/62/563470362.db2.gz UPGZZTZWZPTCJV-OBGWFSINSA-N 2 2 321.468 3.739 50 0 DHAALP Cc1[nH]c(C[N@@H+]2CCC[C@H](CCc3ccccc3F)C2)c[nH+]1 ZINC000055099338 563470623 /nfs/dbraw/zinc/47/06/23/563470623.db2.gz VDIBEWOICMCGSD-OAHLLOKOSA-N 2 2 301.409 3.702 50 0 DHAALP Cc1[nH]c(C[N@H+]2CCC[C@H](CCc3ccccc3F)C2)c[nH+]1 ZINC000055099338 563470625 /nfs/dbraw/zinc/47/06/25/563470625.db2.gz VDIBEWOICMCGSD-OAHLLOKOSA-N 2 2 301.409 3.702 50 0 DHAALP CC[NH+](CC)C1CC[NH+]([C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000097165399 563507402 /nfs/dbraw/zinc/50/74/02/563507402.db2.gz NLJYPTUWSCUCJU-HNNXBMFYSA-N 2 2 320.477 3.571 50 0 DHAALP Cc1cc(C(F)(F)F)cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)[nH+]1 ZINC000077564269 563512005 /nfs/dbraw/zinc/51/20/05/563512005.db2.gz FCJPCMANMXCQRA-NSHDSACASA-N 2 2 310.323 3.516 50 0 DHAALP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccsc1 ZINC000178404123 563526230 /nfs/dbraw/zinc/52/62/30/563526230.db2.gz CSCSLHMXLNLJSP-MPGHIAIKSA-N 2 2 315.486 3.704 50 0 DHAALP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccsc1 ZINC000178404123 563526235 /nfs/dbraw/zinc/52/62/35/563526235.db2.gz CSCSLHMXLNLJSP-MPGHIAIKSA-N 2 2 315.486 3.704 50 0 DHAALP CC(C)=CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095376480 563529866 /nfs/dbraw/zinc/52/98/66/563529866.db2.gz PXZLZYGPHQAEKD-OAHLLOKOSA-N 2 2 316.474 3.534 50 0 DHAALP CC(C)=CC[N@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095376480 563529867 /nfs/dbraw/zinc/52/98/67/563529867.db2.gz PXZLZYGPHQAEKD-OAHLLOKOSA-N 2 2 316.474 3.534 50 0 DHAALP Cc1ccc(CCn2c3ccccc3c3c2CC[N@@H+](C)C3)c[nH+]1 ZINC000000199910 563577428 /nfs/dbraw/zinc/57/74/28/563577428.db2.gz UPLUVROGBHSYKI-UHFFFAOYSA-N 2 2 305.425 3.575 50 0 biogenic DHAALP Cc1ccc(CCn2c3ccccc3c3c2CC[N@H+](C)C3)c[nH+]1 ZINC000000199910 563577429 /nfs/dbraw/zinc/57/74/29/563577429.db2.gz UPLUVROGBHSYKI-UHFFFAOYSA-N 2 2 305.425 3.575 50 0 biogenic DHAALP CCc1ccc([C@H](C)[NH2+]CC2=CSC3=[NH+]CCCN23)cc1 ZINC000101083844 563650264 /nfs/dbraw/zinc/65/02/64/563650264.db2.gz NVNKEWRFKHGBQM-ZDUSSCGKSA-N 2 2 301.459 3.550 50 0 DHAALP CCc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000252483990 563783745 /nfs/dbraw/zinc/78/37/45/563783745.db2.gz FLRWLQLIWGVQEY-QGZVFWFLSA-N 2 2 323.444 3.549 50 0 DHAALP CCc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000252483990 563783751 /nfs/dbraw/zinc/78/37/51/563783751.db2.gz FLRWLQLIWGVQEY-QGZVFWFLSA-N 2 2 323.444 3.549 50 0 DHAALP Fc1ccc2c(NCc3ccc(-n4cc[nH+]c4)nc3)cc[nH+]c2c1 ZINC000075611365 563885052 /nfs/dbraw/zinc/88/50/52/563885052.db2.gz QNHSHFMDGRQZSK-UHFFFAOYSA-N 2 2 319.343 3.567 50 0 DHAALP C[C@H]([NH2+]C[C@@H]1CCCn2cc(C(C)(C)C)[nH+]c21)c1ccncc1 ZINC000095402212 563931319 /nfs/dbraw/zinc/93/13/19/563931319.db2.gz WZIQWIQQMPDDON-HOCLYGCPSA-N 2 2 312.461 3.804 50 0 DHAALP Cc1c[nH+]c(C2CC2)n1[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000575550213 1020976113 /nfs/dbraw/zinc/97/61/13/1020976113.db2.gz RWZNLJCYZTXWHO-INIZCTEOSA-N 2 2 317.383 3.794 50 0 DHAALP Cc1c[nH+]c(C2CC2)n1[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000575550213 1020976123 /nfs/dbraw/zinc/97/61/23/1020976123.db2.gz RWZNLJCYZTXWHO-INIZCTEOSA-N 2 2 317.383 3.794 50 0 DHAALP Cn1cc[nH+]c1C[C@H](Nc1cc[nH+]cc1Cl)c1ccccc1 ZINC000095408655 185356646 /nfs/dbraw/zinc/35/66/46/185356646.db2.gz WMZDIVAFLQHPPN-INIZCTEOSA-N 2 2 312.804 3.864 50 0 DHAALP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCc3sccc32)cn1 ZINC000095420608 185360176 /nfs/dbraw/zinc/36/01/76/185360176.db2.gz GXBZOERRARGRIN-INIZCTEOSA-N 2 2 324.453 3.804 50 0 DHAALP O=C(C[NH2+]C1CCCCC1)Nc1c2c([nH+]c3ccccc31)CCC2 ZINC000005061001 181199383 /nfs/dbraw/zinc/19/93/83/181199383.db2.gz VFHRBFLWEMSRGM-UHFFFAOYSA-N 2 2 323.440 3.584 50 0 DHAALP c1cc(-c2ccccc2)oc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376758041 337040540 /nfs/dbraw/zinc/04/05/40/337040540.db2.gz KPGPFZGHWZKZFR-UHFFFAOYSA-N 2 2 307.397 3.769 50 0 DHAALP CC[NH+](CC)CCn1c(C(C)(C)C)cn2c3ccccc3[nH+]c21 ZINC000000274330 563235158 /nfs/dbraw/zinc/23/51/58/563235158.db2.gz IOMSMITUTWVOTR-UHFFFAOYSA-N 2 2 312.461 3.928 50 0 DHAALP CCOc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000000316889 563240456 /nfs/dbraw/zinc/24/04/56/563240456.db2.gz YTKFWXBFVGRGTA-QGZVFWFLSA-N 2 2 316.489 3.782 50 0 DHAALP CCOc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000000316889 563240461 /nfs/dbraw/zinc/24/04/61/563240461.db2.gz YTKFWXBFVGRGTA-QGZVFWFLSA-N 2 2 316.489 3.782 50 0 DHAALP c1coc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)c1 ZINC000000350257 563243022 /nfs/dbraw/zinc/24/30/22/563243022.db2.gz OKJBRQGNLMMBIK-UHFFFAOYSA-N 2 2 324.428 3.727 50 0 DHAALP Cc1ccc(N2CCC[C@H](c3[nH+]ccn3CC3CCC3)C2)[nH+]c1 ZINC000095352440 563528843 /nfs/dbraw/zinc/52/88/43/563528843.db2.gz FMVGRUOMUJIFKU-KRWDZBQOSA-N 2 2 310.445 3.771 50 0 DHAALP c1cn(CC2CCC2)c([C@H]2CCC[N@H+](Cc3cscn3)C2)[nH+]1 ZINC000095357168 563529595 /nfs/dbraw/zinc/52/95/95/563529595.db2.gz NIHOVAFASPBARA-HNNXBMFYSA-N 2 2 316.474 3.519 50 0 DHAALP c1cn(CC2CCC2)c([C@H]2CCC[N@@H+](Cc3cscn3)C2)[nH+]1 ZINC000095357168 563529599 /nfs/dbraw/zinc/52/95/99/563529599.db2.gz NIHOVAFASPBARA-HNNXBMFYSA-N 2 2 316.474 3.519 50 0 DHAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(Cl)s2)cn1 ZINC000048782506 563699988 /nfs/dbraw/zinc/69/99/88/563699988.db2.gz ZEFUFIYYQYBSNE-UHFFFAOYSA-N 2 2 318.833 3.580 50 0 DHAALP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c2cccnc12 ZINC000215471505 563705830 /nfs/dbraw/zinc/70/58/30/563705830.db2.gz YYCIUTCPWKBZDF-QGZVFWFLSA-N 2 2 320.440 3.656 50 0 DHAALP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c2cccnc12 ZINC000215471505 563705832 /nfs/dbraw/zinc/70/58/32/563705832.db2.gz YYCIUTCPWKBZDF-QGZVFWFLSA-N 2 2 320.440 3.656 50 0 DHAALP CC[NH+](CC)CCn1c2ccccc2n2cc(C(C)(C)C)[nH+]c21 ZINC000001237022 563809077 /nfs/dbraw/zinc/80/90/77/563809077.db2.gz LMESSURCIQLYCJ-UHFFFAOYSA-N 2 2 312.461 3.928 50 0 DHAALP Cc1ncsc1C[NH2+]C[C@@H]1CCCn2cc(C(C)(C)C)[nH+]c21 ZINC000084066524 563821009 /nfs/dbraw/zinc/82/10/09/563821009.db2.gz LBQUWODDPPEOQB-ZDUSSCGKSA-N 2 2 318.490 3.613 50 0 DHAALP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccc(F)c(Cl)c1 ZINC000084647771 563828842 /nfs/dbraw/zinc/82/88/42/563828842.db2.gz HFGYAZRIBYBFQD-AAEUAGOBSA-N 2 2 307.800 3.904 50 0 DHAALP Fc1ccccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000002497424 1014771967 /nfs/dbraw/zinc/77/19/67/1014771967.db2.gz QOPUABSSWKWSMN-UHFFFAOYSA-N 2 2 312.432 3.622 50 0 DHAALP C=Cc1ccc(N2CCC(c3[nH+]ccn3CC3CC3)CC2)[nH+]c1 ZINC000082121186 192359092 /nfs/dbraw/zinc/35/90/92/192359092.db2.gz MEGLSKBRTQOJQQ-UHFFFAOYSA-N 2 2 308.429 3.715 50 0 DHAALP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000072166139 191065090 /nfs/dbraw/zinc/06/50/90/191065090.db2.gz NTOVUBCAHBLRAJ-SFHVURJKSA-N 2 2 323.444 3.603 50 0 DHAALP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000072166139 191065092 /nfs/dbraw/zinc/06/50/92/191065092.db2.gz NTOVUBCAHBLRAJ-SFHVURJKSA-N 2 2 323.444 3.603 50 0 DHAALP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000072166139 191065095 /nfs/dbraw/zinc/06/50/95/191065095.db2.gz NTOVUBCAHBLRAJ-SFHVURJKSA-N 2 2 323.444 3.603 50 0 DHAALP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000072166139 191065097 /nfs/dbraw/zinc/06/50/97/191065097.db2.gz NTOVUBCAHBLRAJ-SFHVURJKSA-N 2 2 323.444 3.603 50 0 DHAALP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccc(F)c(Cl)c1 ZINC000084647778 192450527 /nfs/dbraw/zinc/45/05/27/192450527.db2.gz HFGYAZRIBYBFQD-DGCLKSJQSA-N 2 2 307.800 3.904 50 0 DHAALP CC(C)(C)c1cn2c3ccccc3[nH+]c2n1CC[NH+]1CCCC1 ZINC000000274325 180744800 /nfs/dbraw/zinc/74/48/00/180744800.db2.gz DOVYFZDUQSFFSL-UHFFFAOYSA-N 2 2 310.445 3.682 50 0 DHAALP CCC[NH+]1CCC([NH2+][C@@H](c2ccncc2)c2ccccc2C)CC1 ZINC000065394144 184334293 /nfs/dbraw/zinc/33/42/93/184334293.db2.gz NFMCAEKBWHNJMU-NRFANRHFSA-N 2 2 323.484 3.943 50 0 DHAALP COc1ccc(C[NH+]2CCC([NH+]3CCCCCC3)CC2)cc1 ZINC000000207651 563230524 /nfs/dbraw/zinc/23/05/24/563230524.db2.gz ODTQWBZBOYELLN-UHFFFAOYSA-N 2 2 302.462 3.536 50 0 DHAALP Clc1ccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)o2)cc1 ZINC000035268962 563452773 /nfs/dbraw/zinc/45/27/73/563452773.db2.gz MSBZEBYTJLNQFX-UHFFFAOYSA-N 2 2 315.804 3.976 50 0 DHAALP Cc1oc(-c2ccc3ccccc3c2)nc1C[NH+]1CCC([NH3+])CC1 ZINC000067688795 563488882 /nfs/dbraw/zinc/48/88/82/563488882.db2.gz IARATMQPWVHKJQ-UHFFFAOYSA-N 2 2 321.424 3.726 50 0 DHAALP Cn1c(C[N@@H+]2CCCC[C@@H]2CCn2cc[nH+]c2)cc2ccccc21 ZINC000077287420 563508584 /nfs/dbraw/zinc/50/85/84/563508584.db2.gz ROQJWZKNXGLUGI-GOSISDBHSA-N 2 2 322.456 3.820 50 0 DHAALP Cn1c(C[N@H+]2CCCC[C@@H]2CCn2cc[nH+]c2)cc2ccccc21 ZINC000077287420 563508588 /nfs/dbraw/zinc/50/85/88/563508588.db2.gz ROQJWZKNXGLUGI-GOSISDBHSA-N 2 2 322.456 3.820 50 0 DHAALP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccsc1 ZINC000247938436 563598674 /nfs/dbraw/zinc/59/86/74/563598674.db2.gz CSCSLHMXLNLJSP-RVKKMQEKSA-N 2 2 315.486 3.704 50 0 DHAALP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccsc1 ZINC000247938436 563598677 /nfs/dbraw/zinc/59/86/77/563598677.db2.gz CSCSLHMXLNLJSP-RVKKMQEKSA-N 2 2 315.486 3.704 50 0 DHAALP Oc1ccc2cc(C[N@@H+]3CCC[C@H](Cn4cc[nH+]c4)C3)ccc2c1 ZINC000215580232 563706497 /nfs/dbraw/zinc/70/64/97/563706497.db2.gz HAVMJAHHXNHMRJ-KRWDZBQOSA-N 2 2 321.424 3.654 50 0 DHAALP Oc1ccc2cc(C[N@H+]3CCC[C@H](Cn4cc[nH+]c4)C3)ccc2c1 ZINC000215580232 563706500 /nfs/dbraw/zinc/70/65/00/563706500.db2.gz HAVMJAHHXNHMRJ-KRWDZBQOSA-N 2 2 321.424 3.654 50 0 DHAALP Cc1ccccc1OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000241287477 563777445 /nfs/dbraw/zinc/77/74/45/563777445.db2.gz LLTVWUSPFKSKQS-TZIWHRDSSA-N 2 2 324.468 3.799 50 0 DHAALP Cc1ccccc1OCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000241287477 563777448 /nfs/dbraw/zinc/77/74/48/563777448.db2.gz LLTVWUSPFKSKQS-TZIWHRDSSA-N 2 2 324.468 3.799 50 0 DHAALP Cc1nc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cs1 ZINC000084291000 563825439 /nfs/dbraw/zinc/82/54/39/563825439.db2.gz NARBDNNZSXHPIJ-LBPRGKRZSA-N 2 2 312.442 3.796 50 0 DHAALP CC(C)[C@H](c1ccccc1)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000084715132 563829770 /nfs/dbraw/zinc/82/97/70/563829770.db2.gz ZADZANFZYYXYBD-FXAWDEMLSA-N 2 2 316.489 3.569 50 0 DHAALP CC(C)[C@H](c1ccccc1)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000084715132 563829771 /nfs/dbraw/zinc/82/97/71/563829771.db2.gz ZADZANFZYYXYBD-FXAWDEMLSA-N 2 2 316.489 3.569 50 0 DHAALP Cc1ccc(N2CCC([N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)CC2)cc1 ZINC000670454633 563944752 /nfs/dbraw/zinc/94/47/52/563944752.db2.gz OCYYEOPNMQSOJC-QGZVFWFLSA-N 2 2 324.472 3.567 50 0 DHAALP Cc1ccc(N2CCC([N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)CC2)cc1 ZINC000670454633 563944754 /nfs/dbraw/zinc/94/47/54/563944754.db2.gz OCYYEOPNMQSOJC-QGZVFWFLSA-N 2 2 324.472 3.567 50 0 DHAALP Cc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc1F ZINC000078552308 563961149 /nfs/dbraw/zinc/96/11/49/563961149.db2.gz QQHVQWSGXBQWJR-UHFFFAOYSA-N 2 2 309.388 3.669 50 0 DHAALP CC[C@@H]1C=CC[N@@H+]1Cc1cccc(OCCCn2cc[nH+]c2)c1 ZINC000952962553 1032672010 /nfs/dbraw/zinc/67/20/10/1032672010.db2.gz GFTPNIXEIYDFSZ-GOSISDBHSA-N 2 2 311.429 3.503 50 0 DHAALP CC[C@@H]1C=CC[N@H+]1Cc1cccc(OCCCn2cc[nH+]c2)c1 ZINC000952962553 1032672015 /nfs/dbraw/zinc/67/20/15/1032672015.db2.gz GFTPNIXEIYDFSZ-GOSISDBHSA-N 2 2 311.429 3.503 50 0 DHAALP COc1cccc(C[N@@H+]2CC[C@@H](c3[nH+]cc(C)n3C(C)C)C2)c1 ZINC000581815657 1021849450 /nfs/dbraw/zinc/84/94/50/1021849450.db2.gz FGLMTFYWVWGOHP-QGZVFWFLSA-N 2 2 313.445 3.771 50 0 DHAALP COc1cccc(C[N@H+]2CC[C@@H](c3[nH+]cc(C)n3C(C)C)C2)c1 ZINC000581815657 1021849463 /nfs/dbraw/zinc/84/94/63/1021849463.db2.gz FGLMTFYWVWGOHP-QGZVFWFLSA-N 2 2 313.445 3.771 50 0 DHAALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000082108797 192356766 /nfs/dbraw/zinc/35/67/66/192356766.db2.gz UYNNBVOHUZHBAS-CQSZACIVSA-N 2 2 323.362 3.819 50 0 DHAALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000082108797 192356768 /nfs/dbraw/zinc/35/67/68/192356768.db2.gz UYNNBVOHUZHBAS-CQSZACIVSA-N 2 2 323.362 3.819 50 0 DHAALP CC(C)c1[nH+]ccn1C[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000071751867 191023874 /nfs/dbraw/zinc/02/38/74/191023874.db2.gz HBVOXGMIKDCERR-QGZVFWFLSA-N 2 2 301.409 3.983 50 0 DHAALP Cc1[nH+]cc(C[NH2+][C@@H]2CCOc3ccccc32)n1-c1ccccc1 ZINC000072307109 191118020 /nfs/dbraw/zinc/11/80/20/191118020.db2.gz DWEUJRKHYLBJIH-LJQANCHMSA-N 2 2 319.408 3.794 50 0 DHAALP CCOc1ccccc1C[NH+]1CCC([NH+]2CCCCCC2)CC1 ZINC000004745507 181147166 /nfs/dbraw/zinc/14/71/66/181147166.db2.gz BKUVUYPWDWTVAU-UHFFFAOYSA-N 2 2 316.489 3.926 50 0 DHAALP CC(C)CC[C@@]1(CC[NH2+]CC[NH+](C)C)CCO[C@H](C(C)C)C1 ZINC000020649287 182241488 /nfs/dbraw/zinc/24/14/88/182241488.db2.gz SDZRWKJHFVQPCS-RBUKOAKNSA-N 2 2 312.542 3.785 50 0 DHAALP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000022027674 182304813 /nfs/dbraw/zinc/30/48/13/182304813.db2.gz UYTQYOQXPOGPPS-ZDUSSCGKSA-N 2 2 302.384 3.568 50 0 DHAALP Cc1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000110669345 194348668 /nfs/dbraw/zinc/34/86/68/194348668.db2.gz PMLMDPDPFAPKBN-YOEHRIQHSA-N 2 2 315.486 3.594 50 0 DHAALP Cc1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000110669345 194348670 /nfs/dbraw/zinc/34/86/70/194348670.db2.gz PMLMDPDPFAPKBN-YOEHRIQHSA-N 2 2 315.486 3.594 50 0 DHAALP Cc1cn2c(cccc2-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)[nH+]1 ZINC000426389903 257252308 /nfs/dbraw/zinc/25/23/08/257252308.db2.gz SCPGPDHHJXAZDW-MRXNPFEDSA-N 2 2 321.424 3.703 50 0 DHAALP Cc1cn2c(cccc2-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)[nH+]1 ZINC000426389894 257252490 /nfs/dbraw/zinc/25/24/90/257252490.db2.gz SCPGPDHHJXAZDW-INIZCTEOSA-N 2 2 321.424 3.703 50 0 DHAALP Cc1c(C)n(CC[NH+](C)C)c2[nH+]c(-c3ccccc3)c(C)c(N)c12 ZINC000012407587 563368833 /nfs/dbraw/zinc/36/88/33/563368833.db2.gz JCJAOYXXPSHUFN-UHFFFAOYSA-N 2 2 322.456 3.772 50 0 DHAALP CCc1cc(C[N@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)on1 ZINC000215541408 563706267 /nfs/dbraw/zinc/70/62/67/563706267.db2.gz IBRGBDPTYIXKOT-UHFFFAOYSA-N 2 2 319.474 3.526 50 0 DHAALP CCc1cc(C[N@@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)on1 ZINC000215541408 563706269 /nfs/dbraw/zinc/70/62/69/563706269.db2.gz IBRGBDPTYIXKOT-UHFFFAOYSA-N 2 2 319.474 3.526 50 0 DHAALP C[NH+](C)CCn1c2ccccc2n2cc(-c3ccc(F)cc3)[nH+]c21 ZINC000008468296 563722396 /nfs/dbraw/zinc/72/23/96/563722396.db2.gz MKZPCFFREGVOHC-UHFFFAOYSA-N 2 2 322.387 3.657 50 0 DHAALP C[C@@H]([NH2+]Cc1ccncc1Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000170605237 563907359 /nfs/dbraw/zinc/90/73/59/563907359.db2.gz CWGWWKZKNMKYGV-CYBMUJFWSA-N 2 2 312.804 3.772 50 0 DHAALP Cc1ncsc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079044964 185148717 /nfs/dbraw/zinc/14/87/17/185148717.db2.gz RLDBTHYNMMIFNI-RHSMWYFYSA-N 2 2 315.486 3.594 50 0 DHAALP Cc1ncsc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079044964 185148718 /nfs/dbraw/zinc/14/87/18/185148718.db2.gz RLDBTHYNMMIFNI-RHSMWYFYSA-N 2 2 315.486 3.594 50 0 DHAALP CSCc1ccc(N2CCC([C@H](C)[NH+]3CCCC3)CC2)[nH+]c1 ZINC000082098901 192355791 /nfs/dbraw/zinc/35/57/91/192355791.db2.gz PDUIGAOSZSKMSF-HNNXBMFYSA-N 2 2 319.518 3.645 50 0 DHAALP Cn1cc[nH+]c1C[C@@H](Nc1cc[nH+]cc1Cl)c1ccccc1 ZINC000095408656 185356623 /nfs/dbraw/zinc/35/66/23/185356623.db2.gz WMZDIVAFLQHPPN-MRXNPFEDSA-N 2 2 312.804 3.864 50 0 DHAALP c1cn(-c2ccc(C[NH2+][C@H](CC3CC3)c3ccccc3)cn2)c[nH+]1 ZINC000095409540 185357065 /nfs/dbraw/zinc/35/70/65/185357065.db2.gz ILCOXBSXFGXWOV-LJQANCHMSA-N 2 2 318.424 3.898 50 0 DHAALP C[C@@H](CCc1ccccc1)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000095450142 185368814 /nfs/dbraw/zinc/36/88/14/185368814.db2.gz KJZIMJMJBNSVKW-SFHVURJKSA-N 2 2 323.484 3.909 50 0 DHAALP CCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000091593174 193076122 /nfs/dbraw/zinc/07/61/22/193076122.db2.gz ZHLJTZAHSWQAHI-ZDUSSCGKSA-N 2 2 305.372 3.561 50 0 DHAALP CCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000091593174 193076124 /nfs/dbraw/zinc/07/61/24/193076124.db2.gz ZHLJTZAHSWQAHI-ZDUSSCGKSA-N 2 2 305.372 3.561 50 0 DHAALP Cc1cc2[nH]c(CCNc3nc(C)[nH+]c(C)c3C)[nH+]c2cc1C ZINC000091650754 193084892 /nfs/dbraw/zinc/08/48/92/193084892.db2.gz GRUYVTAKLJYVFN-UHFFFAOYSA-N 2 2 309.417 3.550 50 0 DHAALP c1[nH]c2ccccc2c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000022777626 182333830 /nfs/dbraw/zinc/33/38/30/182333830.db2.gz QPMHVFROEIFKCB-SFHVURJKSA-N 2 2 305.425 3.532 50 0 DHAALP c1[nH]c2ccccc2c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000022777626 182333833 /nfs/dbraw/zinc/33/38/33/182333833.db2.gz QPMHVFROEIFKCB-SFHVURJKSA-N 2 2 305.425 3.532 50 0 DHAALP Cc1cc2cc(C[NH2+]Cc3c[nH+]c4n3CCCC4)oc2cc1C ZINC000376717157 337039906 /nfs/dbraw/zinc/03/99/06/337039906.db2.gz QGCYFGYKNAGSLP-UHFFFAOYSA-N 2 2 309.413 3.872 50 0 DHAALP Cc1cccc([C@@H](C)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000096478273 563484400 /nfs/dbraw/zinc/48/44/00/563484400.db2.gz NPRGCBSJLCDDIZ-SFHVURJKSA-N 2 2 323.484 3.748 50 0 DHAALP Cc1cccc([C@H](C)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000096478275 563484449 /nfs/dbraw/zinc/48/44/49/563484449.db2.gz NPRGCBSJLCDDIZ-GOSISDBHSA-N 2 2 323.484 3.748 50 0 DHAALP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000067490231 563487638 /nfs/dbraw/zinc/48/76/38/563487638.db2.gz LWZAJJXRODXEPW-INIZCTEOSA-N 2 2 318.852 3.685 50 0 DHAALP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000067490231 563487642 /nfs/dbraw/zinc/48/76/42/563487642.db2.gz LWZAJJXRODXEPW-INIZCTEOSA-N 2 2 318.852 3.685 50 0 DHAALP CCC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000000757601 563632321 /nfs/dbraw/zinc/63/23/21/563632321.db2.gz LTSXDGBYCBMYRI-UHFFFAOYSA-N 2 2 301.261 3.957 50 0 DHAALP c1cc([C@@H]2CCC[N@H+]2CC2=CSC3=[NH+]CCCN23)cs1 ZINC000101083867 563650200 /nfs/dbraw/zinc/65/02/00/563650200.db2.gz PTRTTXOLFUWIEO-AWEZNQCLSA-N 2 2 305.472 3.535 50 0 DHAALP c1cc([C@@H]2CCC[N@@H+]2CC2=CSC3=[NH+]CCCN23)cs1 ZINC000101083867 563650203 /nfs/dbraw/zinc/65/02/03/563650203.db2.gz PTRTTXOLFUWIEO-AWEZNQCLSA-N 2 2 305.472 3.535 50 0 DHAALP CC(C)n1c[nH+]cc1C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000215867438 563707277 /nfs/dbraw/zinc/70/72/77/563707277.db2.gz MDIDYJNWLJHPTH-UHFFFAOYSA-N 2 2 309.457 3.944 50 0 DHAALP CC(C)[C@H](c1ccccc1)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000084715130 563829651 /nfs/dbraw/zinc/82/96/51/563829651.db2.gz ZADZANFZYYXYBD-YLJYHZDGSA-N 2 2 316.489 3.569 50 0 DHAALP CC(C)[C@H](c1ccccc1)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000084715130 563829653 /nfs/dbraw/zinc/82/96/53/563829653.db2.gz ZADZANFZYYXYBD-YLJYHZDGSA-N 2 2 316.489 3.569 50 0 DHAALP Fc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccsc2)cc1 ZINC000096013569 563934970 /nfs/dbraw/zinc/93/49/70/563934970.db2.gz PFRQRRKBTIMSBZ-INIZCTEOSA-N 2 2 301.390 3.615 50 0 DHAALP C[C@@H]([NH2+]C1(C[NH2+]C2CCCCC2)CCOCC1)c1ccccc1 ZINC000097009625 185396570 /nfs/dbraw/zinc/39/65/70/185396570.db2.gz ZYVIEFXRZPDWSR-QGZVFWFLSA-N 2 2 316.489 3.809 50 0 DHAALP C[C@H]([NH2+]C1(C[NH2+]C2CCCCC2)CCOCC1)c1ccccc1 ZINC000097009623 185396696 /nfs/dbraw/zinc/39/66/96/185396696.db2.gz ZYVIEFXRZPDWSR-KRWDZBQOSA-N 2 2 316.489 3.809 50 0 DHAALP c1[nH+]cn2c1C[N@H+](CC(c1ccccc1)c1ccccc1)CC2 ZINC000072156280 191059459 /nfs/dbraw/zinc/05/94/59/191059459.db2.gz LICHQSUZFSTHKY-UHFFFAOYSA-N 2 2 303.409 3.531 50 0 DHAALP c1[nH+]cn2c1C[N@@H+](CC(c1ccccc1)c1ccccc1)CC2 ZINC000072156280 191059460 /nfs/dbraw/zinc/05/94/60/191059460.db2.gz LICHQSUZFSTHKY-UHFFFAOYSA-N 2 2 303.409 3.531 50 0 DHAALP CCn1cc[nH+]c1C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000092077426 193153884 /nfs/dbraw/zinc/15/38/84/193153884.db2.gz NNOFIUJMUVHBEX-UHFFFAOYSA-N 2 2 303.837 3.936 50 0 DHAALP Cc1cc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cn2cc[nH+]c12 ZINC000426632938 257245238 /nfs/dbraw/zinc/24/52/38/257245238.db2.gz VIEVEJVNGUYYQI-MRXNPFEDSA-N 2 2 321.424 3.703 50 0 DHAALP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccsc1 ZINC000095420008 332170028 /nfs/dbraw/zinc/17/00/28/332170028.db2.gz KFHKSIOKKIIYEL-HNNXBMFYSA-N 2 2 311.454 3.886 50 0 DHAALP Cc1cc(N2CC[NH+](Cc3ccccc3C)CC2)nc(C(C)C)[nH+]1 ZINC000032717206 563382488 /nfs/dbraw/zinc/38/24/88/563382488.db2.gz ORCCDNVTAZCNJS-UHFFFAOYSA-N 2 2 324.472 3.539 50 0 DHAALP C[C@H](c1ccc(-c2[nH+]ccn2Cc2ccccn2)cc1)[NH+](C)C ZINC000067787570 563490651 /nfs/dbraw/zinc/49/06/51/563490651.db2.gz XAHDUQRDMXZYLJ-OAHLLOKOSA-N 2 2 306.413 3.616 50 0 DHAALP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)n1C ZINC000071762455 563500603 /nfs/dbraw/zinc/50/06/03/563500603.db2.gz TYDGDCVGZGQASI-QGZVFWFLSA-N 2 2 315.436 3.712 50 0 DHAALP Cc1[nH+]cc(C[N@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)n1C ZINC000071762455 563500606 /nfs/dbraw/zinc/50/06/06/563500606.db2.gz TYDGDCVGZGQASI-QGZVFWFLSA-N 2 2 315.436 3.712 50 0 DHAALP CC[NH+](CC)C1CC[NH+]([C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000097165400 563507384 /nfs/dbraw/zinc/50/73/84/563507384.db2.gz NLJYPTUWSCUCJU-OAHLLOKOSA-N 2 2 320.477 3.571 50 0 DHAALP Cc1ccccc1Cn1cc(C[NH2+]CC[NH+](C)C)c2ccccc21 ZINC000247960572 563782329 /nfs/dbraw/zinc/78/23/29/563782329.db2.gz FBJYUDUQGAYDDK-UHFFFAOYSA-N 2 2 321.468 3.649 50 0 DHAALP Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000216061662 1024527964 /nfs/dbraw/zinc/52/79/64/1024527964.db2.gz YFVRTEQCNISXPA-QGZVFWFLSA-N 2 2 308.385 3.506 50 0 DHAALP Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000216061662 1024527972 /nfs/dbraw/zinc/52/79/72/1024527972.db2.gz YFVRTEQCNISXPA-QGZVFWFLSA-N 2 2 308.385 3.506 50 0 DHAALP CCn1ccc2c1cccc2C[NH+]1CCC(Cn2cc[nH+]c2)CC1 ZINC000216457397 1025257700 /nfs/dbraw/zinc/25/77/00/1025257700.db2.gz YXYDRSVKSQJICA-UHFFFAOYSA-N 2 2 322.456 3.770 50 0 DHAALP Cc1[nH+]ccn1CCn1cc[nH+]c1-c1ccc(C(F)(F)F)cc1 ZINC000071748343 191021323 /nfs/dbraw/zinc/02/13/23/191021323.db2.gz WVKVOUJGDMMGIT-UHFFFAOYSA-N 2 2 320.318 3.774 50 0 DHAALP CCOc1ccccc1C[NH+]1CCC([NH+]2CCC(C)CC2)CC1 ZINC000004746386 181146939 /nfs/dbraw/zinc/14/69/39/181146939.db2.gz KGYKVQHWHOVTQK-UHFFFAOYSA-N 2 2 316.489 3.782 50 0 DHAALP Cn1cc[nH+]c1C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000091690831 193091658 /nfs/dbraw/zinc/09/16/58/193091658.db2.gz DOTXINLVCCISBL-UHFFFAOYSA-N 2 2 307.800 3.592 50 0 DHAALP c1csc([C@@H]2CCC[N@H+]2Cc2ccccc2-c2[nH]cc[nH+]2)n1 ZINC000020109528 182187902 /nfs/dbraw/zinc/18/79/02/182187902.db2.gz OAXQKLFEABQXJS-HNNXBMFYSA-N 2 2 310.426 3.870 50 0 DHAALP c1csc([C@@H]2CCC[N@@H+]2Cc2ccccc2-c2[nH]cc[nH+]2)n1 ZINC000020109528 182187903 /nfs/dbraw/zinc/18/79/03/182187903.db2.gz OAXQKLFEABQXJS-HNNXBMFYSA-N 2 2 310.426 3.870 50 0 DHAALP CC(C)[C@@H]([NH2+]C1CC[NH+](Cc2ccco2)CC1)c1cccnc1 ZINC000534664728 334318089 /nfs/dbraw/zinc/31/80/89/334318089.db2.gz MXSFCSVPWZETIJ-LJQANCHMSA-N 2 2 313.445 3.626 50 0 DHAALP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccco1 ZINC000013110706 563378333 /nfs/dbraw/zinc/37/83/33/563378333.db2.gz UFOHGYMHVZWPDJ-UHFFFAOYSA-N 2 2 312.417 3.583 50 0 DHAALP Clc1cccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)o2)c1 ZINC000035268963 563452623 /nfs/dbraw/zinc/45/26/23/563452623.db2.gz IAFQQWQUGMCVKK-UHFFFAOYSA-N 2 2 315.804 3.976 50 0 DHAALP Cc1[nH+]cn(C[C@H](C)[NH2+][C@@H](c2ccccc2)c2ccccn2)c1C ZINC000095427063 563931624 /nfs/dbraw/zinc/93/16/24/563931624.db2.gz GMKJMPDXEJKZPA-YWZLYKJASA-N 2 2 320.440 3.663 50 0 DHAALP Fc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccsc2)cc1 ZINC000096013568 563934816 /nfs/dbraw/zinc/93/48/16/563934816.db2.gz PFRQRRKBTIMSBZ-MRXNPFEDSA-N 2 2 301.390 3.615 50 0 DHAALP Cc1ccc(F)c(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1F ZINC000952869895 1032669393 /nfs/dbraw/zinc/66/93/93/1032669393.db2.gz ONASXXYGQRNSRW-HNNXBMFYSA-N 2 2 307.388 3.674 50 0 DHAALP CSCc1ccc(N2CCC[C@@H](C[NH+]3CCCCC3)C2)[nH+]c1 ZINC000082166447 185174252 /nfs/dbraw/zinc/17/42/52/185174252.db2.gz YETLXLRZUZVWEV-KRWDZBQOSA-N 2 2 319.518 3.647 50 0 DHAALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000082108798 192356711 /nfs/dbraw/zinc/35/67/11/192356711.db2.gz UYNNBVOHUZHBAS-AWEZNQCLSA-N 2 2 323.362 3.819 50 0 DHAALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000082108798 192356714 /nfs/dbraw/zinc/35/67/14/192356714.db2.gz UYNNBVOHUZHBAS-AWEZNQCLSA-N 2 2 323.362 3.819 50 0 DHAALP Cc1[nH+]ccn1CCCn1cc[nH+]c1-c1cc(F)cc(Cl)c1 ZINC000071763485 191027334 /nfs/dbraw/zinc/02/73/34/191027334.db2.gz BOPJNLKZUCBEBD-UHFFFAOYSA-N 2 2 318.783 3.938 50 0 DHAALP c1cn([C@@H]2CC[NH2+]C2)c(-c2ccc3c(c2)Cc2ccccc2-3)[nH+]1 ZINC000072429348 191163687 /nfs/dbraw/zinc/16/36/87/191163687.db2.gz UQZXJNFADAITPN-QGZVFWFLSA-N 2 2 301.393 3.656 50 0 DHAALP C[NH+](C)CCC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004942970 181176828 /nfs/dbraw/zinc/17/68/28/181176828.db2.gz YIQFCULBVMFGTR-UHFFFAOYSA-N 2 2 310.800 3.780 50 0 DHAALP Fc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000036379408 563354737 /nfs/dbraw/zinc/35/47/37/563354737.db2.gz DEOXVDKEGOJWGA-UHFFFAOYSA-N 2 2 312.432 3.622 50 0 DHAALP c1cn(CCC[NH2+]Cc2cccc(OCc3ccccc3)c2)c[nH+]1 ZINC000010314015 563356098 /nfs/dbraw/zinc/35/60/98/563356098.db2.gz DIMRDCFQDBLTCQ-UHFFFAOYSA-N 2 2 321.424 3.642 50 0 DHAALP Cc1[nH]c(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)c[nH+]1 ZINC000011817073 563359813 /nfs/dbraw/zinc/35/98/13/563359813.db2.gz AWVGPOKARKRIDF-AWEZNQCLSA-N 2 2 319.399 3.841 50 0 DHAALP Cc1[nH]c(C[N@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)c[nH+]1 ZINC000011817073 563359814 /nfs/dbraw/zinc/35/98/14/563359814.db2.gz AWVGPOKARKRIDF-AWEZNQCLSA-N 2 2 319.399 3.841 50 0 DHAALP C[NH+](C)CC[NH2+]CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000020548458 563417550 /nfs/dbraw/zinc/41/75/50/563417550.db2.gz SJTZTKSEPKJZMN-RBUKOAKNSA-N 2 2 318.505 3.517 50 0 DHAALP Clc1ccccc1-c1ccc(C[NH2+]CCCn2cc[nH+]c2)o1 ZINC000035268967 563452528 /nfs/dbraw/zinc/45/25/28/563452528.db2.gz LNNCOZNPHKPCTK-UHFFFAOYSA-N 2 2 315.804 3.976 50 0 DHAALP C[C@@H](c1ccc(-c2[nH+]ccn2Cc2ccccn2)cc1)[NH+](C)C ZINC000067787568 563490406 /nfs/dbraw/zinc/49/04/06/563490406.db2.gz XAHDUQRDMXZYLJ-HNNXBMFYSA-N 2 2 306.413 3.616 50 0 DHAALP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c2cccnc12 ZINC000215471455 563705398 /nfs/dbraw/zinc/70/53/98/563705398.db2.gz YYCIUTCPWKBZDF-KRWDZBQOSA-N 2 2 320.440 3.656 50 0 DHAALP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c2cccnc12 ZINC000215471455 563705399 /nfs/dbraw/zinc/70/53/99/563705399.db2.gz YYCIUTCPWKBZDF-KRWDZBQOSA-N 2 2 320.440 3.656 50 0 DHAALP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000185212386 563837376 /nfs/dbraw/zinc/83/73/76/563837376.db2.gz PCQHALIQVZPCII-INIZCTEOSA-N 2 2 311.429 3.540 50 0 DHAALP Cc1ccc(C[N@@H+](C)Cc2ccc(C[NH+]3CCCC3)s2)o1 ZINC000215056170 1024520940 /nfs/dbraw/zinc/52/09/40/1024520940.db2.gz BFIPAPVQTSBBEJ-UHFFFAOYSA-N 2 2 304.459 3.877 50 0 DHAALP Cc1ccc(C[N@H+](C)Cc2ccc(C[NH+]3CCCC3)s2)o1 ZINC000215056170 1024520949 /nfs/dbraw/zinc/52/09/49/1024520949.db2.gz BFIPAPVQTSBBEJ-UHFFFAOYSA-N 2 2 304.459 3.877 50 0 DHAALP FC(F)(F)CCC(CCC(F)(F)F)[NH2+]CCn1cc[nH+]c1 ZINC000863983645 1028157189 /nfs/dbraw/zinc/15/71/89/1028157189.db2.gz KQSZTQVOOMYZHH-UHFFFAOYSA-N 2 2 317.277 3.526 50 0 DHAALP Cc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082166824 185174443 /nfs/dbraw/zinc/17/44/43/185174443.db2.gz LQMTXLVGXQZTLJ-LJQANCHMSA-N 2 2 309.457 3.981 50 0 DHAALP Cc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082166824 185174444 /nfs/dbraw/zinc/17/44/44/185174444.db2.gz LQMTXLVGXQZTLJ-LJQANCHMSA-N 2 2 309.457 3.981 50 0 DHAALP c1cn(Cc2ccccc2)c([C@@H]2CCCN(c3cccc[nH+]3)C2)[nH+]1 ZINC000082100487 192356321 /nfs/dbraw/zinc/35/63/21/192356321.db2.gz SWFNKSFHTMIJTI-GOSISDBHSA-N 2 2 318.424 3.710 50 0 DHAALP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1nc(-c2ccccc2)cs1 ZINC000095419105 185359925 /nfs/dbraw/zinc/35/99/25/185359925.db2.gz UVEPHHNWSUNNCS-CQSZACIVSA-N 2 2 312.442 3.748 50 0 DHAALP COc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+](C)C)cc1Cl ZINC000072463495 191174751 /nfs/dbraw/zinc/17/47/51/191174751.db2.gz HKTCCWBKVGKKEO-OAHLLOKOSA-N 2 2 310.869 3.655 50 0 DHAALP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+](C)C)cc1Cl ZINC000072463495 191174754 /nfs/dbraw/zinc/17/47/54/191174754.db2.gz HKTCCWBKVGKKEO-OAHLLOKOSA-N 2 2 310.869 3.655 50 0 DHAALP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[NH+]1CCCCC1 ZINC000022455378 182321870 /nfs/dbraw/zinc/32/18/70/182321870.db2.gz IPVAQYBSKJLMME-CQSZACIVSA-N 2 2 314.395 3.712 50 0 DHAALP c1cn(CC[C@@H]2CCCC[N@@H+]2Cc2ccnc3ccccc23)c[nH+]1 ZINC000065451637 184346586 /nfs/dbraw/zinc/34/65/86/184346586.db2.gz OMVGAWSXNCTLTG-SFHVURJKSA-N 2 2 320.440 3.876 50 0 DHAALP c1cn(CC[C@@H]2CCCC[N@H+]2Cc2ccnc3ccccc23)c[nH+]1 ZINC000065451637 184346587 /nfs/dbraw/zinc/34/65/87/184346587.db2.gz OMVGAWSXNCTLTG-SFHVURJKSA-N 2 2 320.440 3.876 50 0 DHAALP Cc1ccc2[nH]c(CCC[NH2+][C@H]3CCCSC3)[nH+]c2c1C ZINC000534642189 334306049 /nfs/dbraw/zinc/30/60/49/334306049.db2.gz UZHCVECMBKXEKK-AWEZNQCLSA-N 2 2 303.475 3.598 50 0 DHAALP Cc1ccc2[nH+]c(CCC[NH2+][C@H]3CCCSC3)[nH]c2c1C ZINC000534642189 334306050 /nfs/dbraw/zinc/30/60/50/334306050.db2.gz UZHCVECMBKXEKK-AWEZNQCLSA-N 2 2 303.475 3.598 50 0 DHAALP c1cn(Cc2cccc(C[NH2+][C@@H]3CCCc4occc43)c2)c[nH+]1 ZINC000192653455 341882351 /nfs/dbraw/zinc/88/23/51/341882351.db2.gz WEHHZJRAVVVQHM-GOSISDBHSA-N 2 2 307.397 3.692 50 0 DHAALP CCn1c2ccccc2c2cc(C[NH2+]CCn3cc[nH+]c3)ccc21 ZINC000032735869 563388809 /nfs/dbraw/zinc/38/88/09/563388809.db2.gz OCAVMKVWIDNDMV-UHFFFAOYSA-N 2 2 318.424 3.801 50 0 DHAALP COc1cccc(CC[C@H]2CCC[N@H+](Cc3c[nH+]c(C)[nH]3)C2)c1 ZINC000055054567 563470898 /nfs/dbraw/zinc/47/08/98/563470898.db2.gz BPBUTLFAKZAVMF-QGZVFWFLSA-N 2 2 313.445 3.572 50 0 DHAALP COc1cccc(CC[C@H]2CCC[N@@H+](Cc3c[nH+]c(C)[nH]3)C2)c1 ZINC000055054567 563470900 /nfs/dbraw/zinc/47/09/00/563470900.db2.gz BPBUTLFAKZAVMF-QGZVFWFLSA-N 2 2 313.445 3.572 50 0 DHAALP CCCCc1[nH]c(C[N@@H+](Cc2ccccn2)CC(C)C)c[nH+]1 ZINC000055060549 563471226 /nfs/dbraw/zinc/47/12/26/563471226.db2.gz MRYMGNNASMEVJY-UHFFFAOYSA-N 2 2 300.450 3.806 50 0 DHAALP CCCCc1[nH]c(C[N@H+](Cc2ccccn2)CC(C)C)c[nH+]1 ZINC000055060549 563471228 /nfs/dbraw/zinc/47/12/28/563471228.db2.gz MRYMGNNASMEVJY-UHFFFAOYSA-N 2 2 300.450 3.806 50 0 DHAALP Fc1cc(Cl)ccc1-c1ccc(C[NH2+]CCc2c[nH]c[nH+]2)o1 ZINC000055167331 563471992 /nfs/dbraw/zinc/47/19/92/563471992.db2.gz KDLOZMYIPCYDPL-UHFFFAOYSA-N 2 2 319.767 3.795 50 0 DHAALP Fc1cc(Cl)ccc1-c1ccc(C[NH2+]CCc2c[nH+]c[nH]2)o1 ZINC000055167331 563471994 /nfs/dbraw/zinc/47/19/94/563471994.db2.gz KDLOZMYIPCYDPL-UHFFFAOYSA-N 2 2 319.767 3.795 50 0 DHAALP C[C@H](c1cccc(-c2[nH+]ccn2Cc2cccnc2)c1)[NH+](C)C ZINC000067955598 563494251 /nfs/dbraw/zinc/49/42/51/563494251.db2.gz TZUIMIKXJZBELM-OAHLLOKOSA-N 2 2 306.413 3.616 50 0 DHAALP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccsc1 ZINC000247938434 563598807 /nfs/dbraw/zinc/59/88/07/563598807.db2.gz CSCSLHMXLNLJSP-RLFYNMQTSA-N 2 2 315.486 3.704 50 0 DHAALP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccsc1 ZINC000247938434 563598811 /nfs/dbraw/zinc/59/88/11/563598811.db2.gz CSCSLHMXLNLJSP-RLFYNMQTSA-N 2 2 315.486 3.704 50 0 DHAALP Cc1ncsc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000107151394 563683091 /nfs/dbraw/zinc/68/30/91/563683091.db2.gz RLDBTHYNMMIFNI-YOEHRIQHSA-N 2 2 315.486 3.594 50 0 DHAALP Cc1ncsc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000107151394 563683095 /nfs/dbraw/zinc/68/30/95/563683095.db2.gz RLDBTHYNMMIFNI-YOEHRIQHSA-N 2 2 315.486 3.594 50 0 DHAALP C[C@@H](C[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000075572739 563884702 /nfs/dbraw/zinc/88/47/02/563884702.db2.gz RAISYGIMJPZXCH-RXVVDRJESA-N 2 2 308.469 3.697 50 0 DHAALP C[C@@H](C[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000075572739 563884704 /nfs/dbraw/zinc/88/47/04/563884704.db2.gz RAISYGIMJPZXCH-RXVVDRJESA-N 2 2 308.469 3.697 50 0 DHAALP C[C@H](C[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000075572738 563884852 /nfs/dbraw/zinc/88/48/52/563884852.db2.gz RAISYGIMJPZXCH-WIYYLYMNSA-N 2 2 308.469 3.697 50 0 DHAALP C[C@H](C[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000075572738 563884853 /nfs/dbraw/zinc/88/48/53/563884853.db2.gz RAISYGIMJPZXCH-WIYYLYMNSA-N 2 2 308.469 3.697 50 0 DHAALP Cc1ccc(CCC[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c[nH+]1 ZINC000170616092 563908455 /nfs/dbraw/zinc/90/84/55/563908455.db2.gz ODJXLIZSHRGBTI-NRFANRHFSA-N 2 2 324.468 3.656 50 0 DHAALP Cc1ccc(CCC[N@H+]2CCO[C@@H](CCc3ccccc3)C2)c[nH+]1 ZINC000170616092 563908457 /nfs/dbraw/zinc/90/84/57/563908457.db2.gz ODJXLIZSHRGBTI-NRFANRHFSA-N 2 2 324.468 3.656 50 0 DHAALP CC(C)C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccccn1 ZINC000089821044 563911570 /nfs/dbraw/zinc/91/15/70/563911570.db2.gz FLQIYKYCGCIGPD-SFHVURJKSA-N 2 2 308.429 3.649 50 0 DHAALP C[C@@H]([NH2+]C[C@H]1CCCn2cc(C(C)(C)C)[nH+]c21)c1ccncc1 ZINC000095402215 563931263 /nfs/dbraw/zinc/93/12/63/563931263.db2.gz WZIQWIQQMPDDON-GDBMZVCRSA-N 2 2 312.461 3.804 50 0 DHAALP CCCn1c(C)c[nH+]c1[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000581816493 1021853737 /nfs/dbraw/zinc/85/37/37/1021853737.db2.gz XMGIHBANNRJORI-HNNXBMFYSA-N 2 2 319.399 3.869 50 0 DHAALP CCCn1c(C)c[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000581816493 1021853752 /nfs/dbraw/zinc/85/37/52/1021853752.db2.gz XMGIHBANNRJORI-HNNXBMFYSA-N 2 2 319.399 3.869 50 0 DHAALP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2F)C[N@@H+]1Cc1ccccc1 ZINC000095419363 185359791 /nfs/dbraw/zinc/35/97/91/185359791.db2.gz JAPHTMCASRQQGO-APWZRJJASA-N 2 2 312.432 3.621 50 0 DHAALP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2F)C[N@H+]1Cc1ccccc1 ZINC000095419363 185359792 /nfs/dbraw/zinc/35/97/92/185359792.db2.gz JAPHTMCASRQQGO-APWZRJJASA-N 2 2 312.432 3.621 50 0 DHAALP CCOc1ccc([C@@H](C)[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000095421125 185360504 /nfs/dbraw/zinc/36/05/04/185360504.db2.gz GGMHKWVBXRNJLY-OAHLLOKOSA-N 2 2 322.412 3.517 50 0 DHAALP C[NH+](C)CC[C@H]1CCCCN1Cc1c[nH+]cn1C1CCCCC1 ZINC000072127483 191042955 /nfs/dbraw/zinc/04/29/55/191042955.db2.gz GVPNXSOARAWYFA-QGZVFWFLSA-N 2 2 318.509 3.695 50 0 DHAALP CC(C)n1cc[nH+]c1-c1cc(O)cc(CC[C@@H]2CCCC[NH2+]2)c1 ZINC000072171434 191069052 /nfs/dbraw/zinc/06/90/52/191069052.db2.gz ABDDMIPHCWBUNY-KRWDZBQOSA-N 2 2 313.445 3.911 50 0 DHAALP COc1cc(C)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1C ZINC000000276839 180746154 /nfs/dbraw/zinc/74/61/54/180746154.db2.gz QAGDSFZSOFYZTB-UHFFFAOYSA-N 2 2 316.489 3.762 50 0 DHAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)cn1 ZINC000058245503 184094486 /nfs/dbraw/zinc/09/44/86/184094486.db2.gz INVMOEPXSAXJCH-GUYCJALGSA-N 2 2 322.412 3.582 50 0 DHAALP c1ccc2c(c1)cccc2OCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000065041073 184309367 /nfs/dbraw/zinc/30/93/67/184309367.db2.gz MXRYNBWFQGRPNZ-UHFFFAOYSA-N 2 2 324.468 3.779 50 0 DHAALP CCCCn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000095380270 257271935 /nfs/dbraw/zinc/27/19/35/257271935.db2.gz QRZDBGGYDGFOIW-AWEZNQCLSA-N 2 2 302.397 3.601 50 0 DHAALP c1ccc2c(c1)sc1c2cccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000426677349 257244186 /nfs/dbraw/zinc/24/41/86/257244186.db2.gz CDFZLCDCMVKPGU-SUMWQHHRSA-N 2 2 308.450 3.848 50 0 DHAALP c1ccc2c(c1)sc1c2cccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000426677349 257244187 /nfs/dbraw/zinc/24/41/87/257244187.db2.gz CDFZLCDCMVKPGU-SUMWQHHRSA-N 2 2 308.450 3.848 50 0 DHAALP Cc1cc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)cn2cc[nH+]c12 ZINC000426632937 257245175 /nfs/dbraw/zinc/24/51/75/257245175.db2.gz VIEVEJVNGUYYQI-INIZCTEOSA-N 2 2 321.424 3.703 50 0 DHAALP Cc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)o1 ZINC000095420012 332170143 /nfs/dbraw/zinc/17/01/43/332170143.db2.gz WWJRVQASSAKUIC-MRXNPFEDSA-N 2 2 309.413 3.726 50 0 DHAALP CCOc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000000243789 563232883 /nfs/dbraw/zinc/23/28/83/563232883.db2.gz BDGUYDMMFGREGX-UHFFFAOYSA-N 2 2 302.462 3.536 50 0 DHAALP Cc1[nH]c(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3F)C2)c[nH+]1 ZINC000055109199 563472008 /nfs/dbraw/zinc/47/20/08/563472008.db2.gz CVWDHFNUGNRUIF-AWEZNQCLSA-N 2 2 319.399 3.841 50 0 DHAALP Cc1[nH]c(C[N@H+]2CCC[C@@H](CCc3ccc(F)cc3F)C2)c[nH+]1 ZINC000055109199 563472010 /nfs/dbraw/zinc/47/20/10/563472010.db2.gz CVWDHFNUGNRUIF-AWEZNQCLSA-N 2 2 319.399 3.841 50 0 DHAALP COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000025356082 563726596 /nfs/dbraw/zinc/72/65/96/563726596.db2.gz YJYNCVFVEHLGNN-HNNXBMFYSA-N 2 2 307.397 3.732 50 0 DHAALP CCn1cc[nH+]c1[C@@H]1CCCN(c2ccc3c([nH+]2)CCCC3)C1 ZINC000095512319 185376624 /nfs/dbraw/zinc/37/66/24/185376624.db2.gz GXYXLAHPAMZIKG-MRXNPFEDSA-N 2 2 310.445 3.561 50 0 DHAALP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000079029632 185147636 /nfs/dbraw/zinc/14/76/36/185147636.db2.gz YVILFDXRBRCRHL-FQEVSTJZSA-N 2 2 309.457 3.787 50 0 DHAALP Cc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082166821 185174463 /nfs/dbraw/zinc/17/44/63/185174463.db2.gz LQMTXLVGXQZTLJ-IBGZPJMESA-N 2 2 309.457 3.981 50 0 DHAALP Cc1cccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082166821 185174464 /nfs/dbraw/zinc/17/44/64/185174464.db2.gz LQMTXLVGXQZTLJ-IBGZPJMESA-N 2 2 309.457 3.981 50 0 DHAALP c1cn(CCCC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c[nH+]1 ZINC000089857755 192887042 /nfs/dbraw/zinc/88/70/42/192887042.db2.gz SXRBAHOSQLLZNU-QGZVFWFLSA-N 2 2 311.429 3.699 50 0 DHAALP Fc1c[nH+]ccc1N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091616867 193079374 /nfs/dbraw/zinc/07/93/74/193079374.db2.gz MEKPDKBSFKTVOJ-UHFFFAOYSA-N 2 2 314.408 3.601 50 0 DHAALP CCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000091987125 193137500 /nfs/dbraw/zinc/13/75/00/193137500.db2.gz ANZXIPHFPXWBIL-OAHLLOKOSA-N 2 2 303.837 3.936 50 0 DHAALP CCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000091987125 193137502 /nfs/dbraw/zinc/13/75/02/193137502.db2.gz ANZXIPHFPXWBIL-OAHLLOKOSA-N 2 2 303.837 3.936 50 0 DHAALP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093770130 193304239 /nfs/dbraw/zinc/30/42/39/193304239.db2.gz KBMKXLFWABCUFM-CQSZACIVSA-N 2 2 307.507 3.574 50 0 DHAALP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093770130 193304240 /nfs/dbraw/zinc/30/42/40/193304240.db2.gz KBMKXLFWABCUFM-CQSZACIVSA-N 2 2 307.507 3.574 50 0 DHAALP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093770130 193304242 /nfs/dbraw/zinc/30/42/42/193304242.db2.gz KBMKXLFWABCUFM-CQSZACIVSA-N 2 2 307.507 3.574 50 0 DHAALP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093770130 193304243 /nfs/dbraw/zinc/30/42/43/193304243.db2.gz KBMKXLFWABCUFM-CQSZACIVSA-N 2 2 307.507 3.574 50 0 DHAALP CC(C)CC[C@@]1(CC[NH2+]CC[NH+](C)C)CCO[C@@H](C(C)C)C1 ZINC000020649281 182241096 /nfs/dbraw/zinc/24/10/96/182241096.db2.gz SDZRWKJHFVQPCS-RTBURBONSA-N 2 2 312.542 3.785 50 0 DHAALP CCOc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000000316893 563240050 /nfs/dbraw/zinc/24/00/50/563240050.db2.gz YTKFWXBFVGRGTA-KRWDZBQOSA-N 2 2 316.489 3.782 50 0 DHAALP CCOc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000000316893 563240052 /nfs/dbraw/zinc/24/00/52/563240052.db2.gz YTKFWXBFVGRGTA-KRWDZBQOSA-N 2 2 316.489 3.782 50 0 DHAALP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000067490233 563487928 /nfs/dbraw/zinc/48/79/28/563487928.db2.gz LWZAJJXRODXEPW-MRXNPFEDSA-N 2 2 318.852 3.685 50 0 DHAALP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000067490233 563487930 /nfs/dbraw/zinc/48/79/30/563487930.db2.gz LWZAJJXRODXEPW-MRXNPFEDSA-N 2 2 318.852 3.685 50 0 DHAALP CC(C)=CC[N@@H+]1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095376479 563529515 /nfs/dbraw/zinc/52/95/15/563529515.db2.gz PXZLZYGPHQAEKD-HNNXBMFYSA-N 2 2 316.474 3.534 50 0 DHAALP CC(C)=CC[N@H+]1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095376479 563529519 /nfs/dbraw/zinc/52/95/19/563529519.db2.gz PXZLZYGPHQAEKD-HNNXBMFYSA-N 2 2 316.474 3.534 50 0 DHAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2scnc2C)C1 ZINC000095387254 563529746 /nfs/dbraw/zinc/52/97/46/563529746.db2.gz UMEJFKQNSWELQF-OAHLLOKOSA-N 2 2 318.490 3.828 50 0 DHAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2scnc2C)C1 ZINC000095387254 563529750 /nfs/dbraw/zinc/52/97/50/563529750.db2.gz UMEJFKQNSWELQF-OAHLLOKOSA-N 2 2 318.490 3.828 50 0 DHAALP Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000215100612 563704721 /nfs/dbraw/zinc/70/47/21/563704721.db2.gz BOANAYBNRUKTEH-SFHVURJKSA-N 2 2 322.412 3.814 50 0 DHAALP Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000215100612 563704723 /nfs/dbraw/zinc/70/47/23/563704723.db2.gz BOANAYBNRUKTEH-SFHVURJKSA-N 2 2 322.412 3.814 50 0 DHAALP COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000025356086 563726752 /nfs/dbraw/zinc/72/67/52/563726752.db2.gz YJYNCVFVEHLGNN-OAHLLOKOSA-N 2 2 307.397 3.732 50 0 DHAALP C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000083473198 563811460 /nfs/dbraw/zinc/81/14/60/563811460.db2.gz GFHAKBYEDWSNAN-ZDUSSCGKSA-N 2 2 312.804 3.772 50 0 DHAALP C[C@@H](C[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000075572737 563884641 /nfs/dbraw/zinc/88/46/41/563884641.db2.gz RAISYGIMJPZXCH-GHTZIAJQSA-N 2 2 308.469 3.697 50 0 DHAALP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000075572737 563884642 /nfs/dbraw/zinc/88/46/42/563884642.db2.gz RAISYGIMJPZXCH-GHTZIAJQSA-N 2 2 308.469 3.697 50 0 DHAALP C[C@H]([NH2+]Cc1ccncc1Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000170605236 563907489 /nfs/dbraw/zinc/90/74/89/563907489.db2.gz CWGWWKZKNMKYGV-ZDUSSCGKSA-N 2 2 312.804 3.772 50 0 DHAALP Cc1ccc(F)c(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1F ZINC000952869896 1032668921 /nfs/dbraw/zinc/66/89/21/1032668921.db2.gz ONASXXYGQRNSRW-OAHLLOKOSA-N 2 2 307.388 3.674 50 0 DHAALP c1cn(Cc2ccccc2)c([C@H]2CCCN(c3cccc[nH+]3)C2)[nH+]1 ZINC000082100491 192357098 /nfs/dbraw/zinc/35/70/98/192357098.db2.gz SWFNKSFHTMIJTI-SFHVURJKSA-N 2 2 318.424 3.710 50 0 DHAALP C[NH+](C)CC[C@@H]1CCCCN1Cc1c[nH+]cn1C1CCCCC1 ZINC000072127482 191043905 /nfs/dbraw/zinc/04/39/05/191043905.db2.gz GVPNXSOARAWYFA-KRWDZBQOSA-N 2 2 318.509 3.695 50 0 DHAALP CC(C)Oc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1Cl ZINC000284461672 131082842 /nfs/dbraw/zinc/08/28/42/131082842.db2.gz TXOIAXMEJDXCLE-CYBMUJFWSA-N 2 2 307.825 3.675 50 0 DHAALP Cc1[nH]c(C[N@@H+]2CCC[C@@H](CCc3ccccc3F)C2)c[nH+]1 ZINC000055099339 563471000 /nfs/dbraw/zinc/47/10/00/563471000.db2.gz VDIBEWOICMCGSD-HNNXBMFYSA-N 2 2 301.409 3.702 50 0 DHAALP Cc1[nH]c(C[N@H+]2CCC[C@@H](CCc3ccccc3F)C2)c[nH+]1 ZINC000055099339 563471001 /nfs/dbraw/zinc/47/10/01/563471001.db2.gz VDIBEWOICMCGSD-HNNXBMFYSA-N 2 2 301.409 3.702 50 0 DHAALP Cc1ccccc1OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000225845773 563764800 /nfs/dbraw/zinc/76/48/00/563764800.db2.gz LLTVWUSPFKSKQS-CTNGQTDRSA-N 2 2 324.468 3.799 50 0 DHAALP Cc1ccccc1OCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000225845773 563764804 /nfs/dbraw/zinc/76/48/04/563764804.db2.gz LLTVWUSPFKSKQS-CTNGQTDRSA-N 2 2 324.468 3.799 50 0 DHAALP c1ccc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000001229325 563803049 /nfs/dbraw/zinc/80/30/49/563803049.db2.gz UAFBGDLXUIBTFM-UHFFFAOYSA-N 2 2 306.453 3.709 50 0 DHAALP c1ccc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000001229325 563803053 /nfs/dbraw/zinc/80/30/53/563803053.db2.gz UAFBGDLXUIBTFM-UHFFFAOYSA-N 2 2 306.453 3.709 50 0 DHAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000192135483 563885508 /nfs/dbraw/zinc/88/55/08/563885508.db2.gz DVGRNXNBNLRHNZ-INIZCTEOSA-N 2 2 306.413 3.769 50 0 DHAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000192135483 563885510 /nfs/dbraw/zinc/88/55/10/563885510.db2.gz DVGRNXNBNLRHNZ-INIZCTEOSA-N 2 2 306.413 3.769 50 0 DHAALP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]CCCc1c(F)cccc1Cl)C2 ZINC000253419698 563925138 /nfs/dbraw/zinc/92/51/38/563925138.db2.gz BGPSUCGZIRDMGI-CYBMUJFWSA-N 2 2 321.827 3.521 50 0 DHAALP CCc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000095420172 563931444 /nfs/dbraw/zinc/93/14/44/563931444.db2.gz BSVBVUXPNQJGPU-HNNXBMFYSA-N 2 2 309.413 3.938 50 0 DHAALP Fc1c[nH+]ccc1N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095530664 185378859 /nfs/dbraw/zinc/37/88/59/185378859.db2.gz BMZZBGSSFWWTIF-HNNXBMFYSA-N 2 2 314.408 3.601 50 0 DHAALP Cc1c[nH+]ccc1Cn1ccnc1-c1ccc([C@@H](C)[NH+](C)C)cc1 ZINC000072151532 191055610 /nfs/dbraw/zinc/05/56/10/191055610.db2.gz DHTSEVTWRXHWCG-MRXNPFEDSA-N 2 2 320.440 3.924 50 0 DHAALP CCOc1ccccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000004986401 181184930 /nfs/dbraw/zinc/18/49/30/181184930.db2.gz WDLPIOPUROAXNB-UHFFFAOYSA-N 2 2 302.462 3.536 50 0 DHAALP CCn1cc[nH+]c1[C@@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000091906355 193125341 /nfs/dbraw/zinc/12/53/41/193125341.db2.gz XYTFXPOAEJDNEQ-GFCCVEGCSA-N 2 2 324.350 3.701 50 0 DHAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)cn1 ZINC000058245505 184094402 /nfs/dbraw/zinc/09/44/02/184094402.db2.gz INVMOEPXSAXJCH-DYVFJYSZSA-N 2 2 322.412 3.582 50 0 DHAALP CCCCn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000095380269 257271893 /nfs/dbraw/zinc/27/18/93/257271893.db2.gz QRZDBGGYDGFOIW-CQSZACIVSA-N 2 2 302.397 3.601 50 0 DHAALP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000000207592 563230471 /nfs/dbraw/zinc/23/04/71/563230471.db2.gz RCWAKIQPMREWDY-UHFFFAOYSA-N 2 2 312.432 3.922 50 0 DHAALP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000000207592 563230475 /nfs/dbraw/zinc/23/04/75/563230475.db2.gz RCWAKIQPMREWDY-UHFFFAOYSA-N 2 2 312.432 3.922 50 0 DHAALP C[NH+](C)CC[NH2+]CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000020548454 563417587 /nfs/dbraw/zinc/41/75/87/563417587.db2.gz SJTZTKSEPKJZMN-RTBURBONSA-N 2 2 318.505 3.517 50 0 DHAALP C[C@@H](c1cccc(-c2[nH+]ccn2Cc2cccnc2)c1)[NH+](C)C ZINC000067955597 563494232 /nfs/dbraw/zinc/49/42/32/563494232.db2.gz TZUIMIKXJZBELM-HNNXBMFYSA-N 2 2 306.413 3.616 50 0 DHAALP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000097600955 563540091 /nfs/dbraw/zinc/54/00/91/563540091.db2.gz KTSCPIDAKUNRMB-CQSZACIVSA-N 2 2 323.362 3.814 50 0 DHAALP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000097600955 563540093 /nfs/dbraw/zinc/54/00/93/563540093.db2.gz KTSCPIDAKUNRMB-CQSZACIVSA-N 2 2 323.362 3.814 50 0 DHAALP Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000215100657 563704759 /nfs/dbraw/zinc/70/47/59/563704759.db2.gz BOANAYBNRUKTEH-GOSISDBHSA-N 2 2 322.412 3.814 50 0 DHAALP Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000215100657 563704761 /nfs/dbraw/zinc/70/47/61/563704761.db2.gz BOANAYBNRUKTEH-GOSISDBHSA-N 2 2 322.412 3.814 50 0 DHAALP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000185212408 563837327 /nfs/dbraw/zinc/83/73/27/563837327.db2.gz PCQHALIQVZPCII-MRXNPFEDSA-N 2 2 311.429 3.540 50 0 DHAALP C[C@H]([NH2+]C[C@H]1CCCn2cc(C(C)(C)C)[nH+]c21)c1ccncc1 ZINC000095402214 563931435 /nfs/dbraw/zinc/93/14/35/563931435.db2.gz WZIQWIQQMPDDON-GOEBONIOSA-N 2 2 312.461 3.804 50 0 DHAALP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000079029635 185147653 /nfs/dbraw/zinc/14/76/53/185147653.db2.gz YVILFDXRBRCRHL-HXUWFJFHSA-N 2 2 309.457 3.787 50 0 DHAALP c1cn(-c2ccc(C[NH2+][C@@H](CC3CC3)c3ccccc3)cn2)c[nH+]1 ZINC000095409541 185356913 /nfs/dbraw/zinc/35/69/13/185356913.db2.gz ILCOXBSXFGXWOV-IBGZPJMESA-N 2 2 318.424 3.898 50 0 DHAALP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000095467218 185372011 /nfs/dbraw/zinc/37/20/11/185372011.db2.gz FUTGPZDLYFXTMU-UHFFFAOYSA-N 2 2 310.228 3.744 50 0 DHAALP Cc1ccc(C[N@H+](Cc2ccncc2)C2CC[NH+](C)CC2)s1 ZINC000072147755 191053665 /nfs/dbraw/zinc/05/36/65/191053665.db2.gz GIBFODZBHKFBGH-UHFFFAOYSA-N 2 2 315.486 3.548 50 0 DHAALP Cc1ccc(C[N@@H+](Cc2ccncc2)C2CC[NH+](C)CC2)s1 ZINC000072147755 191053667 /nfs/dbraw/zinc/05/36/67/191053667.db2.gz GIBFODZBHKFBGH-UHFFFAOYSA-N 2 2 315.486 3.548 50 0 DHAALP Cc1ccc(C[NH+](CCCn2cc[nH+]c2)Cc2ccc(C)o2)o1 ZINC000004679409 181136256 /nfs/dbraw/zinc/13/62/56/181136256.db2.gz SHGJFSDCLTUVEJ-UHFFFAOYSA-N 2 2 313.401 3.778 50 0 DHAALP CC(C)CC[C@]1(CC[NH2+]CC[NH+](C)C)CCO[C@H](C(C)C)C1 ZINC000020649290 182241582 /nfs/dbraw/zinc/24/15/82/182241582.db2.gz SDZRWKJHFVQPCS-OALUTQOASA-N 2 2 312.542 3.785 50 0 DHAALP C[N@H+](Cc1ccc(OCc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC000023281550 182355608 /nfs/dbraw/zinc/35/56/08/182355608.db2.gz DDYNVYTYLGPHBG-UHFFFAOYSA-N 2 2 324.468 3.792 50 0 DHAALP C[N@@H+](Cc1ccc(OCc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC000023281550 182355610 /nfs/dbraw/zinc/35/56/10/182355610.db2.gz DDYNVYTYLGPHBG-UHFFFAOYSA-N 2 2 324.468 3.792 50 0 DHAALP Cc1cc(NCc2ccc(-n3cc[nH+]c3)nc2)[nH+]c2ccccc12 ZINC000058316703 184104975 /nfs/dbraw/zinc/10/49/75/184104975.db2.gz CQLZQANGUWACMJ-UHFFFAOYSA-N 2 2 315.380 3.736 50 0 DHAALP C[NH+](C)CC[NH2+]CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000020548460 331588120 /nfs/dbraw/zinc/58/81/20/331588120.db2.gz SJTZTKSEPKJZMN-OALUTQOASA-N 2 2 318.505 3.517 50 0 DHAALP CSc1ccc(-c2[nH+]ccn2CC[C@H]2CCC[N@H+]2C)cc1 ZINC000067842322 563492215 /nfs/dbraw/zinc/49/22/15/563492215.db2.gz BFLSXWIEMOYLTB-OAHLLOKOSA-N 2 2 301.459 3.756 50 0 DHAALP CCOc1ccc(C[NH+]2CCC([NH+]3CCCCCC3)CC2)cc1 ZINC000000207660 563230547 /nfs/dbraw/zinc/23/05/47/563230547.db2.gz ZVFMPKKXRCMOCK-UHFFFAOYSA-N 2 2 316.489 3.926 50 0 DHAALP C[NH+]1CCN(c2cc(-c3cccs3)[nH+]c3ccccc32)CC1 ZINC000000407437 563251499 /nfs/dbraw/zinc/25/14/99/563251499.db2.gz OHIXLXNUKMHJJF-UHFFFAOYSA-N 2 2 309.438 3.715 50 0 DHAALP C[N@H+](Cc1ccccc1)C1(C[NH2+]CC2CC2)Cc2ccccc2C1 ZINC000022851402 563419299 /nfs/dbraw/zinc/41/92/99/563419299.db2.gz MOEIJJJRLOEGDN-UHFFFAOYSA-N 2 2 320.480 3.656 50 0 DHAALP C[N@@H+](Cc1ccccc1)C1(C[NH2+]CC2CC2)Cc2ccccc2C1 ZINC000022851402 563419301 /nfs/dbraw/zinc/41/93/01/563419301.db2.gz MOEIJJJRLOEGDN-UHFFFAOYSA-N 2 2 320.480 3.656 50 0 DHAALP CSc1ccc(-c2[nH+]ccn2CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000067842322 563492210 /nfs/dbraw/zinc/49/22/10/563492210.db2.gz BFLSXWIEMOYLTB-OAHLLOKOSA-N 2 2 301.459 3.756 50 0 DHAALP COc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000025356248 563726627 /nfs/dbraw/zinc/72/66/27/563726627.db2.gz DWVQHVLTVGYLAX-OAHLLOKOSA-N 2 2 307.397 3.732 50 0 DHAALP Cc1ccccc1OCCC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000225845754 563764604 /nfs/dbraw/zinc/76/46/04/563764604.db2.gz LLTVWUSPFKSKQS-FPOVZHCZSA-N 2 2 324.468 3.799 50 0 DHAALP Cc1ccccc1OCCC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000225845754 563764606 /nfs/dbraw/zinc/76/46/06/563764606.db2.gz LLTVWUSPFKSKQS-FPOVZHCZSA-N 2 2 324.468 3.799 50 0 DHAALP C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000095420146 563931280 /nfs/dbraw/zinc/93/12/80/563931280.db2.gz DZMVJUKUSZYZFK-OAHLLOKOSA-N 2 2 311.454 3.714 50 0 DHAALP Cc1nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000096456795 563937136 /nfs/dbraw/zinc/93/71/36/563937136.db2.gz PMLMDPDPFAPKBN-RHSMWYFYSA-N 2 2 315.486 3.594 50 0 DHAALP Cc1nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000096456795 563937137 /nfs/dbraw/zinc/93/71/37/563937137.db2.gz PMLMDPDPFAPKBN-RHSMWYFYSA-N 2 2 315.486 3.594 50 0 DHAALP Cc1[nH]c2c(cccc2C[NH+]2CCC(c3[nH+]ccn3C)CC2)c1C ZINC000216062843 1024527390 /nfs/dbraw/zinc/52/73/90/1024527390.db2.gz OKDJSYJIYSZTIL-UHFFFAOYSA-N 2 2 322.456 3.898 50 0 DHAALP Fc1c[nH+]ccc1N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095530665 185378864 /nfs/dbraw/zinc/37/88/64/185378864.db2.gz BMZZBGSSFWWTIF-OAHLLOKOSA-N 2 2 314.408 3.601 50 0 DHAALP CCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000091593172 193076482 /nfs/dbraw/zinc/07/64/82/193076482.db2.gz ZHLJTZAHSWQAHI-CYBMUJFWSA-N 2 2 305.372 3.561 50 0 DHAALP CCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000091593172 193076483 /nfs/dbraw/zinc/07/64/83/193076483.db2.gz ZHLJTZAHSWQAHI-CYBMUJFWSA-N 2 2 305.372 3.561 50 0 DHAALP Clc1cccc(C[NH2+]CC[NH2+]Cc2cccc(Cl)c2)c1 ZINC000020365441 182211730 /nfs/dbraw/zinc/21/17/30/182211730.db2.gz WCBIPPOEAIYUNE-UHFFFAOYSA-N 2 2 309.240 3.873 50 0 DHAALP CC(C)CC[C@]1(CC[NH2+]CC[NH+](C)C)CCO[C@@H](C(C)C)C1 ZINC000020649284 182241328 /nfs/dbraw/zinc/24/13/28/182241328.db2.gz SDZRWKJHFVQPCS-MOPGFXCFSA-N 2 2 312.542 3.785 50 0 DHAALP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCOC(C)(C)C1 ZINC000289375997 131379729 /nfs/dbraw/zinc/37/97/29/131379729.db2.gz BVASVBSMYSHBPN-SFHVURJKSA-N 2 2 313.445 3.652 50 0 DHAALP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCOC(C)(C)C1 ZINC000289375997 131379731 /nfs/dbraw/zinc/37/97/31/131379731.db2.gz BVASVBSMYSHBPN-SFHVURJKSA-N 2 2 313.445 3.652 50 0 DHAALP CCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C1CCCC1 ZINC000449263632 338608042 /nfs/dbraw/zinc/60/80/42/338608042.db2.gz LSTOUDHKDYIDFZ-SOLBZPMBSA-N 2 2 305.466 3.589 50 0 DHAALP COC(C)(C)C[C@H](C)[NH2+]CCc1[nH]c2ccc(C)c(C)c2[nH+]1 ZINC000067643261 563488836 /nfs/dbraw/zinc/48/88/36/563488836.db2.gz WKYFJGVTKJKKAU-ZDUSSCGKSA-N 2 2 303.450 3.515 50 0 DHAALP COC(C)(C)C[C@H](C)[NH2+]CCc1[nH]c2c(ccc(C)c2C)[nH+]1 ZINC000067643261 563488837 /nfs/dbraw/zinc/48/88/37/563488837.db2.gz WKYFJGVTKJKKAU-ZDUSSCGKSA-N 2 2 303.450 3.515 50 0 DHAALP c1cn(CCC[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)c[nH+]1 ZINC000096493047 563485490 /nfs/dbraw/zinc/48/54/90/563485490.db2.gz VKDIZRZRCYSEIK-UHFFFAOYSA-N 2 2 308.429 3.634 50 0 DHAALP Cc1ccc2[nH]c(CCCn3cc[nH+]c3[C@@H]3CCOC3)[nH+]c2c1C ZINC000077518210 563512124 /nfs/dbraw/zinc/51/21/24/563512124.db2.gz XIGHQRICRIYJPW-OAHLLOKOSA-N 2 2 324.428 3.513 50 0 DHAALP Cc1ccc2[nH+]c(CCCn3cc[nH+]c3[C@@H]3CCOC3)[nH]c2c1C ZINC000077518210 563512126 /nfs/dbraw/zinc/51/21/26/563512126.db2.gz XIGHQRICRIYJPW-OAHLLOKOSA-N 2 2 324.428 3.513 50 0 DHAALP Cc1noc(C)c1C[N@H+](C)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000097213214 563537982 /nfs/dbraw/zinc/53/79/82/563537982.db2.gz HAZKICSXBIIAPI-UHFFFAOYSA-N 2 2 319.474 3.581 50 0 DHAALP Cc1noc(C)c1C[N@@H+](C)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000097213214 563537987 /nfs/dbraw/zinc/53/79/87/563537987.db2.gz HAZKICSXBIIAPI-UHFFFAOYSA-N 2 2 319.474 3.581 50 0 DHAALP Cc1c2ccccc2oc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000215585484 563706363 /nfs/dbraw/zinc/70/63/63/563706363.db2.gz CDJHLZGUQUMXRH-HNNXBMFYSA-N 2 2 309.413 3.854 50 0 DHAALP Cc1c2ccccc2oc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000215585484 563706367 /nfs/dbraw/zinc/70/63/67/563706367.db2.gz CDJHLZGUQUMXRH-HNNXBMFYSA-N 2 2 309.413 3.854 50 0 DHAALP CC[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccc(F)cc1F ZINC000084734137 563830493 /nfs/dbraw/zinc/83/04/93/563830493.db2.gz BJIIIOCIGYJTQY-WBMJQRKESA-N 2 2 305.372 3.780 50 0 DHAALP c1cn(Cc2cccc(C[NH2+][C@H]3CCCc4occc43)c2)c[nH+]1 ZINC000192653469 563890382 /nfs/dbraw/zinc/89/03/82/563890382.db2.gz WEHHZJRAVVVQHM-SFHVURJKSA-N 2 2 307.397 3.692 50 0 DHAALP Cc1[nH+]c2ccccc2n1CCCNc1[nH+]c2ccccc2n1C ZINC000089729968 563911097 /nfs/dbraw/zinc/91/10/97/563911097.db2.gz BFRSATMMAATICB-UHFFFAOYSA-N 2 2 319.412 3.734 50 0 DHAALP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2O1 ZINC000095967057 563932888 /nfs/dbraw/zinc/93/28/88/563932888.db2.gz UBBBNDQTVXGESI-QGZVFWFLSA-N 2 2 300.446 3.505 50 0 DHAALP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccco2)CC1)c1cccc(C)n1 ZINC000670434632 563943357 /nfs/dbraw/zinc/94/33/57/563943357.db2.gz BCICNQWGVJVRLI-GOSISDBHSA-N 2 2 313.445 3.688 50 0 DHAALP Cc1cc(NCc2ccc(-n3cc[nH+]c3)nc2)c2ccccc2[nH+]1 ZINC000078548594 563961135 /nfs/dbraw/zinc/96/11/35/563961135.db2.gz OSDCPPLYZHNCMC-UHFFFAOYSA-N 2 2 315.380 3.736 50 0 DHAALP COc1cccc(C[N@@H+]2CC[C@H](c3[nH+]cc(C)n3C(C)C)C2)c1 ZINC000581815654 1021850404 /nfs/dbraw/zinc/85/04/04/1021850404.db2.gz FGLMTFYWVWGOHP-KRWDZBQOSA-N 2 2 313.445 3.771 50 0 DHAALP COc1cccc(C[N@H+]2CC[C@H](c3[nH+]cc(C)n3C(C)C)C2)c1 ZINC000581815654 1021850408 /nfs/dbraw/zinc/85/04/08/1021850408.db2.gz FGLMTFYWVWGOHP-KRWDZBQOSA-N 2 2 313.445 3.771 50 0 DHAALP CSCc1ccc(N2CCC[C@H](C[NH+]3CCCCC3)C2)[nH+]c1 ZINC000082166443 185174410 /nfs/dbraw/zinc/17/44/10/185174410.db2.gz YETLXLRZUZVWEV-QGZVFWFLSA-N 2 2 319.518 3.647 50 0 DHAALP C[C@H]1C[C@H]([NH2+]CCc2ccccc2F)C[N@@H+]1Cc1ccccc1 ZINC000095419364 185359708 /nfs/dbraw/zinc/35/97/08/185359708.db2.gz JAPHTMCASRQQGO-LPHOPBHVSA-N 2 2 312.432 3.621 50 0 DHAALP C[C@H]1C[C@H]([NH2+]CCc2ccccc2F)C[N@H+]1Cc1ccccc1 ZINC000095419364 185359709 /nfs/dbraw/zinc/35/97/09/185359709.db2.gz JAPHTMCASRQQGO-LPHOPBHVSA-N 2 2 312.432 3.621 50 0 DHAALP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCc3sccc32)cn1 ZINC000095420607 185360168 /nfs/dbraw/zinc/36/01/68/185360168.db2.gz GXBZOERRARGRIN-MRXNPFEDSA-N 2 2 324.453 3.804 50 0 DHAALP CCOc1ccc([C@H](C)[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000095421126 185360467 /nfs/dbraw/zinc/36/04/67/185360467.db2.gz GGMHKWVBXRNJLY-HNNXBMFYSA-N 2 2 322.412 3.517 50 0 DHAALP c1coc(CNc2[nH+]c3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC000095464178 185371532 /nfs/dbraw/zinc/37/15/32/185371532.db2.gz WOQFEQXYBTVVQQ-UHFFFAOYSA-N 2 2 321.384 3.528 50 0 DHAALP CC(C)n1cc[nH+]c1-c1cc(O)cc(CC[C@H]2CCCC[NH2+]2)c1 ZINC000072171435 191069141 /nfs/dbraw/zinc/06/91/41/191069141.db2.gz ABDDMIPHCWBUNY-QGZVFWFLSA-N 2 2 313.445 3.911 50 0 DHAALP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093770129 193303769 /nfs/dbraw/zinc/30/37/69/193303769.db2.gz KBMKXLFWABCUFM-AWEZNQCLSA-N 2 2 307.507 3.574 50 0 DHAALP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093770129 193303770 /nfs/dbraw/zinc/30/37/70/193303770.db2.gz KBMKXLFWABCUFM-AWEZNQCLSA-N 2 2 307.507 3.574 50 0 DHAALP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093770129 193303772 /nfs/dbraw/zinc/30/37/72/193303772.db2.gz KBMKXLFWABCUFM-AWEZNQCLSA-N 2 2 307.507 3.574 50 0 DHAALP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093770129 193303775 /nfs/dbraw/zinc/30/37/75/193303775.db2.gz KBMKXLFWABCUFM-AWEZNQCLSA-N 2 2 307.507 3.574 50 0 DHAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)cn1 ZINC000058245502 184094335 /nfs/dbraw/zinc/09/43/35/184094335.db2.gz INVMOEPXSAXJCH-SUMWQHHRSA-N 2 2 322.412 3.582 50 0 DHAALP CCC[C@H]([NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1)C1CCCC1 ZINC000449263630 338607974 /nfs/dbraw/zinc/60/79/74/338607974.db2.gz LSTOUDHKDYIDFZ-BQFCYCMXSA-N 2 2 305.466 3.589 50 0 DHAALP CC(C)(C)c1cn2c([nH+]1)[C@@H](C[NH2+]C1CCSCC1)CCC2 ZINC000095402080 563466679 /nfs/dbraw/zinc/46/66/79/563466679.db2.gz MFDLTWPUWFQTQF-CYBMUJFWSA-N 2 2 307.507 3.543 50 0 DHAALP CCCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000077564790 563511474 /nfs/dbraw/zinc/51/14/74/563511474.db2.gz UARHDZCOTYFQBB-QGZVFWFLSA-N 2 2 304.478 3.930 50 0 DHAALP CCCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000077564790 563511477 /nfs/dbraw/zinc/51/14/77/563511477.db2.gz UARHDZCOTYFQBB-QGZVFWFLSA-N 2 2 304.478 3.930 50 0 DHAALP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000244873307 563779790 /nfs/dbraw/zinc/77/97/90/563779790.db2.gz WNWRZKYSMMPWLG-GOSISDBHSA-N 2 2 323.444 3.685 50 0 DHAALP Cc1cc(Cl)ccc1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000128892292 563783436 /nfs/dbraw/zinc/78/34/36/563783436.db2.gz CRSQVSTZQGVWMM-UHFFFAOYSA-N 2 2 312.804 3.519 50 0 DHAALP Cc1cn2c([nH+]1)CC[C@H]([NH2+]CCCc1c(F)cccc1Cl)C2 ZINC000253419702 563925200 /nfs/dbraw/zinc/92/52/00/563925200.db2.gz BGPSUCGZIRDMGI-ZDUSSCGKSA-N 2 2 321.827 3.521 50 0 DHAALP CN(C)c1cc[nH+]cc1C[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000097115674 563937842 /nfs/dbraw/zinc/93/78/42/563937842.db2.gz NZGQJCQXYOHZOX-UHFFFAOYSA-N 2 2 324.453 3.561 50 0 DHAALP c1nc(-c2ccccc2)sc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000066970715 563948171 /nfs/dbraw/zinc/94/81/71/563948171.db2.gz SAYKEVMJVSIBKV-UHFFFAOYSA-N 2 2 313.470 3.527 50 0 DHAALP C[C@@H](c1cccc(-c2[nH+]ccn2CCc2ccccn2)c1)[NH+](C)C ZINC000067447070 568413470 /nfs/dbraw/zinc/41/34/70/568413470.db2.gz OADKLFFAUSWJGQ-INIZCTEOSA-N 2 2 320.440 3.810 50 0 DHAALP Cc1c(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)[nH]c2ccccc12 ZINC000952963650 1032672212 /nfs/dbraw/zinc/67/22/12/1032672212.db2.gz LGHPHKBNNMDDJF-SFHVURJKSA-N 2 2 310.445 3.877 50 0 DHAALP Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000216061621 1024526845 /nfs/dbraw/zinc/52/68/45/1024526845.db2.gz YFVRTEQCNISXPA-KRWDZBQOSA-N 2 2 308.385 3.506 50 0 DHAALP Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000216061621 1024526856 /nfs/dbraw/zinc/52/68/56/1024526856.db2.gz YFVRTEQCNISXPA-KRWDZBQOSA-N 2 2 308.385 3.506 50 0 DHAALP CCC[C@@H]1CN(Cc2c[nH+]cn2C2CCCCC2)C[C@H]1[NH+](C)C ZINC000082121387 192359456 /nfs/dbraw/zinc/35/94/56/192359456.db2.gz GQJSIUHZCTVDBA-VQIMIIECSA-N 2 2 318.509 3.550 50 0 DHAALP c1cn(-c2ccccc2Cn2cc[nH+]c2[C@H]2CC=CCC2)c[nH+]1 ZINC000072150140 191055428 /nfs/dbraw/zinc/05/54/28/191055428.db2.gz BFHRLKUJZHSXFA-INIZCTEOSA-N 2 2 304.397 3.941 50 0 DHAALP Cc1c(C)n(CCC[NH+](C)C)c2nc[nH+]c(Nc3ccccc3)c12 ZINC000006660816 181366395 /nfs/dbraw/zinc/36/63/95/181366395.db2.gz ZEIYLLYILJYKTK-UHFFFAOYSA-N 2 2 323.444 3.743 50 0 DHAALP CCCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000077564797 563511989 /nfs/dbraw/zinc/51/19/89/563511989.db2.gz UARHDZCOTYFQBB-KRWDZBQOSA-N 2 2 304.478 3.930 50 0 DHAALP CCCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000077564797 563511991 /nfs/dbraw/zinc/51/19/91/563511991.db2.gz UARHDZCOTYFQBB-KRWDZBQOSA-N 2 2 304.478 3.930 50 0 DHAALP C[C@H]1CC[N@H+](CCSc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247628920 563530939 /nfs/dbraw/zinc/53/09/39/563530939.db2.gz NRJWNEASDKXHSH-DOTOQJQBSA-N 2 2 301.459 3.558 50 0 DHAALP C[C@H]1CC[N@@H+](CCSc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247628920 563530941 /nfs/dbraw/zinc/53/09/41/563530941.db2.gz NRJWNEASDKXHSH-DOTOQJQBSA-N 2 2 301.459 3.558 50 0 DHAALP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000244873308 563780058 /nfs/dbraw/zinc/78/00/58/563780058.db2.gz WNWRZKYSMMPWLG-SFHVURJKSA-N 2 2 323.444 3.685 50 0 DHAALP CC(C)C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccccn1 ZINC000089821045 563911405 /nfs/dbraw/zinc/91/14/05/563911405.db2.gz FLQIYKYCGCIGPD-GOSISDBHSA-N 2 2 308.429 3.649 50 0 DHAALP c1cn(CCCC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c[nH+]1 ZINC000089857756 563911681 /nfs/dbraw/zinc/91/16/81/563911681.db2.gz SXRBAHOSQLLZNU-KRWDZBQOSA-N 2 2 311.429 3.699 50 0 DHAALP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccs1 ZINC000089910203 563912171 /nfs/dbraw/zinc/91/21/71/563912171.db2.gz LWMPEVUMCXGNIA-HNNXBMFYSA-N 2 2 311.454 3.886 50 0 DHAALP Cc1[nH+]cn(C[C@@H](C)[NH2+][C@H](c2ccccc2)c2ccccn2)c1C ZINC000095427064 563931488 /nfs/dbraw/zinc/93/14/88/563931488.db2.gz GMKJMPDXEJKZPA-FOIQADDNSA-N 2 2 320.440 3.663 50 0 DHAALP CCCn1c(C)c[nH+]c1[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000575316423 1020945819 /nfs/dbraw/zinc/94/58/19/1020945819.db2.gz NHNLMOSLGOBUKY-HNNXBMFYSA-N 2 2 303.475 3.961 50 0 DHAALP CCCn1c(C)c[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000575316423 1020945825 /nfs/dbraw/zinc/94/58/25/1020945825.db2.gz NHNLMOSLGOBUKY-HNNXBMFYSA-N 2 2 303.475 3.961 50 0 DHAALP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1nc(-c2ccccc2)cs1 ZINC000095419104 185359683 /nfs/dbraw/zinc/35/96/83/185359683.db2.gz UVEPHHNWSUNNCS-AWEZNQCLSA-N 2 2 312.442 3.748 50 0 DHAALP CC(C)c1[nH+]ccn1C[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000071751866 191024111 /nfs/dbraw/zinc/02/41/11/191024111.db2.gz HBVOXGMIKDCERR-KRWDZBQOSA-N 2 2 301.409 3.983 50 0 DHAALP Cc1c[nH+]ccc1Cn1ccnc1-c1ccc([C@H](C)[NH+](C)C)cc1 ZINC000072151533 191055640 /nfs/dbraw/zinc/05/56/40/191055640.db2.gz DHTSEVTWRXHWCG-INIZCTEOSA-N 2 2 320.440 3.924 50 0 DHAALP COc1cccc(C[NH+]2CCC(c3[nH+]ccn3C(C)C)CC2)c1 ZINC000092019896 193143740 /nfs/dbraw/zinc/14/37/40/193143740.db2.gz PKZAYJHVQZDMAK-UHFFFAOYSA-N 2 2 313.445 3.852 50 0 DHAALP CC(C)[C@H]([NH2+]C1CC[NH+](Cc2ccco2)CC1)c1cccnc1 ZINC000534664727 334318270 /nfs/dbraw/zinc/31/82/70/334318270.db2.gz MXSFCSVPWZETIJ-IBGZPJMESA-N 2 2 313.445 3.626 50 0 DHAALP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccc(F)c(Cl)c1 ZINC000084647774 563828849 /nfs/dbraw/zinc/82/88/49/563828849.db2.gz HFGYAZRIBYBFQD-YPMHNXCESA-N 2 2 307.800 3.904 50 0 DHAALP C[NH+](C)CC[NH2+]CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000020548456 563417858 /nfs/dbraw/zinc/41/78/58/563417858.db2.gz SJTZTKSEPKJZMN-MOPGFXCFSA-N 2 2 318.505 3.517 50 0 DHAALP COC(C)(C)C[C@@H](C)[NH2+]CCc1[nH]c2ccc(C)c(C)c2[nH+]1 ZINC000067643262 563488964 /nfs/dbraw/zinc/48/89/64/563488964.db2.gz WKYFJGVTKJKKAU-CYBMUJFWSA-N 2 2 303.450 3.515 50 0 DHAALP COC(C)(C)C[C@@H](C)[NH2+]CCc1[nH]c2c(ccc(C)c2C)[nH+]1 ZINC000067643262 563488966 /nfs/dbraw/zinc/48/89/66/563488966.db2.gz WKYFJGVTKJKKAU-CYBMUJFWSA-N 2 2 303.450 3.515 50 0 DHAALP CCCCc1[nH]c(C[N@H+]2CC[C@H](c3ccccc3F)C2)c[nH+]1 ZINC000072435820 563503377 /nfs/dbraw/zinc/50/33/77/563503377.db2.gz HJWFSOGZSDZKLG-AWEZNQCLSA-N 2 2 301.409 3.881 50 0 DHAALP c1cn(CC2CCC2)c([C@@H]2CCC[N@H+](Cc3cscn3)C2)[nH+]1 ZINC000095357167 563529777 /nfs/dbraw/zinc/52/97/77/563529777.db2.gz NIHOVAFASPBARA-OAHLLOKOSA-N 2 2 316.474 3.519 50 0 DHAALP c1cn(CC2CCC2)c([C@@H]2CCC[N@@H+](Cc3cscn3)C2)[nH+]1 ZINC000095357167 563529778 /nfs/dbraw/zinc/52/97/78/563529778.db2.gz NIHOVAFASPBARA-OAHLLOKOSA-N 2 2 316.474 3.519 50 0 DHAALP Cc1csc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000107359446 563683773 /nfs/dbraw/zinc/68/37/73/563683773.db2.gz YJRWCBAWJJASPI-DOTOQJQBSA-N 2 2 315.486 3.594 50 0 DHAALP Cc1csc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000107359446 563683775 /nfs/dbraw/zinc/68/37/75/563683775.db2.gz YJRWCBAWJJASPI-DOTOQJQBSA-N 2 2 315.486 3.594 50 0 DHAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc(C(C)(C)C)s1)CCC2 ZINC000084257826 563825604 /nfs/dbraw/zinc/82/56/04/563825604.db2.gz OZANBDTVRIXGDZ-ZDUSSCGKSA-N 2 2 318.490 3.613 50 0 DHAALP C[C@@H]1CC[N@H+](CCSc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000089929999 563912355 /nfs/dbraw/zinc/91/23/55/563912355.db2.gz NRJWNEASDKXHSH-WBVHZDCISA-N 2 2 301.459 3.558 50 0 DHAALP C[C@@H]1CC[N@@H+](CCSc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000089929999 563912356 /nfs/dbraw/zinc/91/23/56/563912356.db2.gz NRJWNEASDKXHSH-WBVHZDCISA-N 2 2 301.459 3.558 50 0 DHAALP COc1cccc2c1[nH+]cc(C)c2N1CCC(n2cc[nH+]c2)CC1 ZINC000195576721 563919814 /nfs/dbraw/zinc/91/98/14/563919814.db2.gz DXVHUUKSOLHHCX-UHFFFAOYSA-N 2 2 322.412 3.590 50 0 DHAALP C/C(=C/c1ccccc1)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000096297198 563936108 /nfs/dbraw/zinc/93/61/08/563936108.db2.gz UPGZZTZWZPTCJV-SDXDJHTJSA-N 2 2 321.468 3.739 50 0 DHAALP Cc1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000096456797 563937145 /nfs/dbraw/zinc/93/71/45/563937145.db2.gz PMLMDPDPFAPKBN-PBHICJAKSA-N 2 2 315.486 3.594 50 0 DHAALP Cc1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000096456797 563937146 /nfs/dbraw/zinc/93/71/46/563937146.db2.gz PMLMDPDPFAPKBN-PBHICJAKSA-N 2 2 315.486 3.594 50 0 DHAALP C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000225547932 563938049 /nfs/dbraw/zinc/93/80/49/563938049.db2.gz DOTAZFWKZWLLEV-ZDUSSCGKSA-N 2 2 312.804 3.772 50 0 DHAALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000082171019 185174282 /nfs/dbraw/zinc/17/42/82/185174282.db2.gz NHSQTHODLXYZDF-CYBMUJFWSA-N 2 2 307.800 3.592 50 0 DHAALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000082171019 185174283 /nfs/dbraw/zinc/17/42/83/185174283.db2.gz NHSQTHODLXYZDF-CYBMUJFWSA-N 2 2 307.800 3.592 50 0 DHAALP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(O)c1 ZINC000194844108 201299744 /nfs/dbraw/zinc/29/97/44/201299744.db2.gz MZUOWQLXOFRILY-INIZCTEOSA-N 2 2 321.424 3.530 50 0 DHAALP CCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000091987127 193137459 /nfs/dbraw/zinc/13/74/59/193137459.db2.gz ANZXIPHFPXWBIL-HNNXBMFYSA-N 2 2 303.837 3.936 50 0 DHAALP CCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000091987127 193137460 /nfs/dbraw/zinc/13/74/60/193137460.db2.gz ANZXIPHFPXWBIL-HNNXBMFYSA-N 2 2 303.837 3.936 50 0 DHAALP CC(C)c1nc(C[N@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)cs1 ZINC000063855661 184289976 /nfs/dbraw/zinc/28/99/76/184289976.db2.gz ZHXIVZPRFHCPMH-DOTOQJQBSA-N 2 2 321.534 3.963 50 0 DHAALP CC(C)c1nc(C[N@@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)cs1 ZINC000063855661 184289978 /nfs/dbraw/zinc/28/99/78/184289978.db2.gz ZHXIVZPRFHCPMH-DOTOQJQBSA-N 2 2 321.534 3.963 50 0 DHAALP CC(C)c1nc(C[NH+](C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cs1 ZINC000063855661 184289979 /nfs/dbraw/zinc/28/99/79/184289979.db2.gz ZHXIVZPRFHCPMH-DOTOQJQBSA-N 2 2 321.534 3.963 50 0 DHAALP CC(C)c1nc(C[NH+](C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cs1 ZINC000063855661 184289981 /nfs/dbraw/zinc/28/99/81/184289981.db2.gz ZHXIVZPRFHCPMH-DOTOQJQBSA-N 2 2 321.534 3.963 50 0 DHAALP CSC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000067847723 563492483 /nfs/dbraw/zinc/49/24/83/563492483.db2.gz ZFGFDMNMPCCKSD-HNNXBMFYSA-N 2 2 321.534 3.556 50 0 DHAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2scnc2C)C1 ZINC000095387255 563530050 /nfs/dbraw/zinc/53/00/50/563530050.db2.gz UMEJFKQNSWELQF-HNNXBMFYSA-N 2 2 318.490 3.828 50 0 DHAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2scnc2C)C1 ZINC000095387255 563530055 /nfs/dbraw/zinc/53/00/55/563530055.db2.gz UMEJFKQNSWELQF-HNNXBMFYSA-N 2 2 318.490 3.828 50 0 DHAALP CCOc1ccc2ccccc2c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254692 563622230 /nfs/dbraw/zinc/62/22/30/563622230.db2.gz AJDANUZZLQXYLE-INIZCTEOSA-N 2 2 323.440 3.861 50 0 DHAALP Fc1ccc2c(NCCc3[nH+]ccn3C(F)F)cc[nH+]c2c1 ZINC000225385833 563753314 /nfs/dbraw/zinc/75/33/14/563753314.db2.gz CELFQDHAOALIBQ-UHFFFAOYSA-N 2 2 306.291 3.620 50 0 DHAALP C[C@H](C[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000075572740 563884835 /nfs/dbraw/zinc/88/48/35/563884835.db2.gz RAISYGIMJPZXCH-NQIIRXRSSA-N 2 2 308.469 3.697 50 0 DHAALP C[C@H](C[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000075572740 563884837 /nfs/dbraw/zinc/88/48/37/563884837.db2.gz RAISYGIMJPZXCH-NQIIRXRSSA-N 2 2 308.469 3.697 50 0 DHAALP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000089905222 563912145 /nfs/dbraw/zinc/91/21/45/563912145.db2.gz VTWCBUDAHVXBSS-OAHLLOKOSA-N 2 2 309.388 3.921 50 0 DHAALP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3c3ccccn3)cc2)c[nH+]1 ZINC000072154499 191060043 /nfs/dbraw/zinc/06/00/43/191060043.db2.gz ZARGOOIBKLBSON-IBGZPJMESA-N 2 2 304.397 3.604 50 0 DHAALP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3c3ccccn3)cc2)c[nH+]1 ZINC000072154499 191060046 /nfs/dbraw/zinc/06/00/46/191060046.db2.gz ZARGOOIBKLBSON-IBGZPJMESA-N 2 2 304.397 3.604 50 0 DHAALP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000072166140 191065573 /nfs/dbraw/zinc/06/55/73/191065573.db2.gz NTOVUBCAHBLRAJ-GOSISDBHSA-N 2 2 323.444 3.603 50 0 DHAALP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000072166140 191065576 /nfs/dbraw/zinc/06/55/76/191065576.db2.gz NTOVUBCAHBLRAJ-GOSISDBHSA-N 2 2 323.444 3.603 50 0 DHAALP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000072166140 191065577 /nfs/dbraw/zinc/06/55/77/191065577.db2.gz NTOVUBCAHBLRAJ-GOSISDBHSA-N 2 2 323.444 3.603 50 0 DHAALP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000072166140 191065580 /nfs/dbraw/zinc/06/55/80/191065580.db2.gz NTOVUBCAHBLRAJ-GOSISDBHSA-N 2 2 323.444 3.603 50 0 DHAALP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000124653053 522599954 /nfs/dbraw/zinc/59/99/54/522599954.db2.gz FTRUTFPPIURCCY-SFHVURJKSA-N 2 2 320.440 3.831 50 0 DHAALP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000124653053 522599958 /nfs/dbraw/zinc/59/99/58/522599958.db2.gz FTRUTFPPIURCCY-SFHVURJKSA-N 2 2 320.440 3.831 50 0 DHAALP C[C@@H](Cc1ccccc1F)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000000757199 563271979 /nfs/dbraw/zinc/27/19/79/563271979.db2.gz DGVULUJDWLMVOL-INIZCTEOSA-N 2 2 304.453 3.707 50 0 DHAALP Clc1ccc2[nH+]ccc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000077503923 563510723 /nfs/dbraw/zinc/51/07/23/563510723.db2.gz PXXMMJHGVZZEAQ-GFCCVEGCSA-N 2 2 312.804 3.995 50 0 DHAALP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000097600954 563540338 /nfs/dbraw/zinc/54/03/38/563540338.db2.gz KTSCPIDAKUNRMB-AWEZNQCLSA-N 2 2 323.362 3.814 50 0 DHAALP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000097600954 563540341 /nfs/dbraw/zinc/54/03/41/563540341.db2.gz KTSCPIDAKUNRMB-AWEZNQCLSA-N 2 2 323.362 3.814 50 0 DHAALP CC(C)[C@@H](c1ccccc1)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000229872971 563773162 /nfs/dbraw/zinc/77/31/62/563773162.db2.gz ZADZANFZYYXYBD-PXNSSMCTSA-N 2 2 316.489 3.569 50 0 DHAALP CC(C)[C@@H](c1ccccc1)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000229872971 563773165 /nfs/dbraw/zinc/77/31/65/563773165.db2.gz ZADZANFZYYXYBD-PXNSSMCTSA-N 2 2 316.489 3.569 50 0 DHAALP Cc1ccccc1OCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000241287476 563777183 /nfs/dbraw/zinc/77/71/83/563777183.db2.gz LLTVWUSPFKSKQS-PZJWPPBQSA-N 2 2 324.468 3.799 50 0 DHAALP Cc1ccccc1OCCC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000241287476 563777189 /nfs/dbraw/zinc/77/71/89/563777189.db2.gz LLTVWUSPFKSKQS-PZJWPPBQSA-N 2 2 324.468 3.799 50 0 DHAALP Cc1[nH+]cn(C[C@H](C)[NH2+][C@H](c2ccccc2)c2ccccn2)c1C ZINC000095427065 563931480 /nfs/dbraw/zinc/93/14/80/563931480.db2.gz GMKJMPDXEJKZPA-MGPUTAFESA-N 2 2 320.440 3.663 50 0 DHAALP CC1(C)C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2O1 ZINC000095967056 563932869 /nfs/dbraw/zinc/93/28/69/563932869.db2.gz UBBBNDQTVXGESI-KRWDZBQOSA-N 2 2 300.446 3.505 50 0 DHAALP c1ccn(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000069528358 563953231 /nfs/dbraw/zinc/95/32/31/563953231.db2.gz LMSOEJJHXQUAQK-UHFFFAOYSA-N 2 2 306.413 3.511 50 0 DHAALP Cc1c[nH+]c(-c2ccncc2)n1C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000575547462 1020976082 /nfs/dbraw/zinc/97/60/82/1020976082.db2.gz CVMPIWUXRXDXME-QGZVFWFLSA-N 2 2 324.472 3.908 50 0 DHAALP Cc1c[nH+]c(-c2ccncc2)n1C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000575547462 1020976088 /nfs/dbraw/zinc/97/60/88/1020976088.db2.gz CVMPIWUXRXDXME-QGZVFWFLSA-N 2 2 324.472 3.908 50 0 DHAALP CCCn1c(C)c[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000581816494 1021854016 /nfs/dbraw/zinc/85/40/16/1021854016.db2.gz XMGIHBANNRJORI-OAHLLOKOSA-N 2 2 319.399 3.869 50 0 DHAALP CCCn1c(C)c[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000581816494 1021854023 /nfs/dbraw/zinc/85/40/23/1021854023.db2.gz XMGIHBANNRJORI-OAHLLOKOSA-N 2 2 319.399 3.869 50 0 DHAALP Cc1ncsc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000107151392 1023410682 /nfs/dbraw/zinc/41/06/82/1023410682.db2.gz RLDBTHYNMMIFNI-WMLDXEAASA-N 2 2 315.486 3.594 50 0 DHAALP Cc1ncsc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000107151392 1023410684 /nfs/dbraw/zinc/41/06/84/1023410684.db2.gz RLDBTHYNMMIFNI-WMLDXEAASA-N 2 2 315.486 3.594 50 0 DHAALP c1cn(-c2ccccc2Cn2cc[nH+]c2[C@@H]2CC=CCC2)c[nH+]1 ZINC000072150141 191055707 /nfs/dbraw/zinc/05/57/07/191055707.db2.gz BFHRLKUJZHSXFA-MRXNPFEDSA-N 2 2 304.397 3.941 50 0 DHAALP Cc1ccc(C[N@@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)o1 ZINC000072477727 191180118 /nfs/dbraw/zinc/18/01/18/191180118.db2.gz NDKOEIUQRLWHLG-UHFFFAOYSA-N 2 2 311.429 3.618 50 0 DHAALP Cc1ccc(C[N@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)o1 ZINC000072477727 191180120 /nfs/dbraw/zinc/18/01/20/191180120.db2.gz NDKOEIUQRLWHLG-UHFFFAOYSA-N 2 2 311.429 3.618 50 0 DHAALP COc1ccccc1C[NH+]1CCC([NH+]2CCCCCC2)CC1 ZINC000004553771 181123894 /nfs/dbraw/zinc/12/38/94/181123894.db2.gz CNQPHFBBXVAUJT-UHFFFAOYSA-N 2 2 302.462 3.536 50 0 DHAALP C[NH+]1CCC(c2[nH+]ccn2CCc2ccccc2Cl)CC1 ZINC000067674985 563488551 /nfs/dbraw/zinc/48/85/51/563488551.db2.gz KFVNYVPGUBKVMR-UHFFFAOYSA-N 2 2 303.837 3.588 50 0 DHAALP Clc1ccc2[nH+]ccc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000077503920 563511026 /nfs/dbraw/zinc/51/10/26/563511026.db2.gz PXXMMJHGVZZEAQ-LBPRGKRZSA-N 2 2 312.804 3.995 50 0 DHAALP C[C@@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1cccc(O)c1 ZINC000253433488 1020379515 /nfs/dbraw/zinc/37/95/15/1020379515.db2.gz XOFYQZRSPTUNOH-CQSZACIVSA-N 2 2 316.470 3.769 50 0 DHAALP Cn1ccc2cc(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)ccc21 ZINC000825640381 1020666841 /nfs/dbraw/zinc/66/68/41/1020666841.db2.gz NBPKVHYIVKDBLQ-UHFFFAOYSA-N 2 2 321.424 3.617 50 0 DHAALP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2F)C[N@@H+]1Cc1ccccc1 ZINC000095419365 185359892 /nfs/dbraw/zinc/35/98/92/185359892.db2.gz JAPHTMCASRQQGO-VQIMIIECSA-N 2 2 312.432 3.621 50 0 DHAALP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2F)C[N@H+]1Cc1ccccc1 ZINC000095419365 185359893 /nfs/dbraw/zinc/35/98/93/185359893.db2.gz JAPHTMCASRQQGO-VQIMIIECSA-N 2 2 312.432 3.621 50 0 DHAALP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3c3ccccn3)cc2)c[nH+]1 ZINC000072154500 191059806 /nfs/dbraw/zinc/05/98/06/191059806.db2.gz ZARGOOIBKLBSON-LJQANCHMSA-N 2 2 304.397 3.604 50 0 DHAALP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3c3ccccn3)cc2)c[nH+]1 ZINC000072154500 191059808 /nfs/dbraw/zinc/05/98/08/191059808.db2.gz ZARGOOIBKLBSON-LJQANCHMSA-N 2 2 304.397 3.604 50 0 DHAALP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccc(F)c(Cl)c1 ZINC000084647775 192450087 /nfs/dbraw/zinc/45/00/87/192450087.db2.gz HFGYAZRIBYBFQD-WCQYABFASA-N 2 2 307.800 3.904 50 0 DHAALP c1cn([C@H]2CC[NH2+]C2)c(-c2ccc3c(c2)Cc2ccccc2-3)[nH+]1 ZINC000072429349 191163239 /nfs/dbraw/zinc/16/32/39/191163239.db2.gz UQZXJNFADAITPN-KRWDZBQOSA-N 2 2 301.393 3.656 50 0 DHAALP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(O)c1 ZINC000194844121 201298910 /nfs/dbraw/zinc/29/89/10/201298910.db2.gz MZUOWQLXOFRILY-MRXNPFEDSA-N 2 2 321.424 3.530 50 0 DHAALP c1csc([C@H]2CCC[N@H+]2Cc2ccccc2-c2[nH]cc[nH+]2)n1 ZINC000020109529 182187848 /nfs/dbraw/zinc/18/78/48/182187848.db2.gz OAXQKLFEABQXJS-OAHLLOKOSA-N 2 2 310.426 3.870 50 0 DHAALP c1csc([C@H]2CCC[N@@H+]2Cc2ccccc2-c2[nH]cc[nH+]2)n1 ZINC000020109529 182187850 /nfs/dbraw/zinc/18/78/50/182187850.db2.gz OAXQKLFEABQXJS-OAHLLOKOSA-N 2 2 310.426 3.870 50 0 DHAALP CC[NH+](CC)CC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000022027676 182304409 /nfs/dbraw/zinc/30/44/09/182304409.db2.gz UYTQYOQXPOGPPS-CYBMUJFWSA-N 2 2 302.384 3.568 50 0 DHAALP CC[C@H]([NH2+]C1CC[NH+](Cc2ccco2)CC1)c1ncccc1C ZINC000534670121 334320017 /nfs/dbraw/zinc/32/00/17/334320017.db2.gz LINDCRAPRZJWQS-SFHVURJKSA-N 2 2 313.445 3.688 50 0 DHAALP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000124652819 522593232 /nfs/dbraw/zinc/59/32/32/522593232.db2.gz FTRUTFPPIURCCY-GOSISDBHSA-N 2 2 320.440 3.831 50 0 DHAALP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000124652819 522593243 /nfs/dbraw/zinc/59/32/43/522593243.db2.gz FTRUTFPPIURCCY-GOSISDBHSA-N 2 2 320.440 3.831 50 0 DHAALP c1cc([C@H]2CCC[N@H+]2CC2=CSC3=[NH+]CCCN23)cs1 ZINC000101083870 563650242 /nfs/dbraw/zinc/65/02/42/563650242.db2.gz PTRTTXOLFUWIEO-CQSZACIVSA-N 2 2 305.472 3.535 50 0 DHAALP c1cc([C@H]2CCC[N@@H+]2CC2=CSC3=[NH+]CCCN23)cs1 ZINC000101083870 563650245 /nfs/dbraw/zinc/65/02/45/563650245.db2.gz PTRTTXOLFUWIEO-CQSZACIVSA-N 2 2 305.472 3.535 50 0 DHAALP C[C@H](c1ccon1)[N@H+](C)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000215849067 563707331 /nfs/dbraw/zinc/70/73/31/563707331.db2.gz RCZJWDHGAZQACK-CYBMUJFWSA-N 2 2 305.447 3.525 50 0 DHAALP C[C@H](c1ccon1)[N@@H+](C)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000215849067 563707334 /nfs/dbraw/zinc/70/73/34/563707334.db2.gz RCZJWDHGAZQACK-CYBMUJFWSA-N 2 2 305.447 3.525 50 0 DHAALP C[C@H](Cc1ccccc1F)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000000757200 563271720 /nfs/dbraw/zinc/27/17/20/563271720.db2.gz DGVULUJDWLMVOL-MRXNPFEDSA-N 2 2 304.453 3.707 50 0 DHAALP CCCCc1[nH]c(CN2CCC[N@@H+](C3CCCCC3)CC2)c[nH+]1 ZINC000077484997 563511198 /nfs/dbraw/zinc/51/11/98/563511198.db2.gz KHLVSFCHIUCKRB-UHFFFAOYSA-N 2 2 318.509 3.593 50 0 DHAALP CCCCc1[nH]c(CN2CCC[N@H+](C3CCCCC3)CC2)c[nH+]1 ZINC000077484997 563511201 /nfs/dbraw/zinc/51/12/01/563511201.db2.gz KHLVSFCHIUCKRB-UHFFFAOYSA-N 2 2 318.509 3.593 50 0 DHAALP CCCCc1[nH]cc(CN2CCC[N@@H+](C3CCCCC3)CC2)[nH+]1 ZINC000077484997 563511206 /nfs/dbraw/zinc/51/12/06/563511206.db2.gz KHLVSFCHIUCKRB-UHFFFAOYSA-N 2 2 318.509 3.593 50 0 DHAALP CCCCc1[nH]cc(CN2CCC[N@H+](C3CCCCC3)CC2)[nH+]1 ZINC000077484997 563511210 /nfs/dbraw/zinc/51/12/10/563511210.db2.gz KHLVSFCHIUCKRB-UHFFFAOYSA-N 2 2 318.509 3.593 50 0 DHAALP C[C@@H]1CC[N@H+](CCSc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247628923 563530501 /nfs/dbraw/zinc/53/05/01/563530501.db2.gz NRJWNEASDKXHSH-NVXWUHKLSA-N 2 2 301.459 3.558 50 0 DHAALP C[C@@H]1CC[N@@H+](CCSc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247628923 563530502 /nfs/dbraw/zinc/53/05/02/563530502.db2.gz NRJWNEASDKXHSH-NVXWUHKLSA-N 2 2 301.459 3.558 50 0 DHAALP Oc1ccc2cc(C[N@@H+]3CCC[C@@H](Cn4cc[nH+]c4)C3)ccc2c1 ZINC000215580278 563706591 /nfs/dbraw/zinc/70/65/91/563706591.db2.gz HAVMJAHHXNHMRJ-QGZVFWFLSA-N 2 2 321.424 3.654 50 0 DHAALP Oc1ccc2cc(C[N@H+]3CCC[C@@H](Cn4cc[nH+]c4)C3)ccc2c1 ZINC000215580278 563706593 /nfs/dbraw/zinc/70/65/93/563706593.db2.gz HAVMJAHHXNHMRJ-QGZVFWFLSA-N 2 2 321.424 3.654 50 0 DHAALP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccc(F)cc1F ZINC000084734134 563830598 /nfs/dbraw/zinc/83/05/98/563830598.db2.gz BJIIIOCIGYJTQY-BLLLJJGKSA-N 2 2 305.372 3.780 50 0 DHAALP c1ccc(CC[N@@H+]2CC[C@@H]([NH2+]CC3(c4ccccc4)CC3)C2)cc1 ZINC000078998909 563930152 /nfs/dbraw/zinc/93/01/52/563930152.db2.gz BQLJQGFSQWFRLY-OAQYLSRUSA-N 2 2 320.480 3.625 50 0 DHAALP c1ccc(CC[N@H+]2CC[C@@H]([NH2+]CC3(c4ccccc4)CC3)C2)cc1 ZINC000078998909 563930153 /nfs/dbraw/zinc/93/01/53/563930153.db2.gz BQLJQGFSQWFRLY-OAQYLSRUSA-N 2 2 320.480 3.625 50 0 DHAALP